A0A3Q0KCD1_SCHMA Loading...

Forkhead box protein O

AlphaFold DB (A6XDL3), UniProt , Accession A0A3Q0KCD1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 883 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
1M37Very low36.4Very low232 Ų232157.6 Ų157.6100%1.14381%0.805SS**  079.70-62.9165.7173.500106.9
2S31Very low36.6Very low117 Ų117157.2 Ų157.282%0.81882%0.815SS**  cis86.9137.225.7-480000114.3
3A34.3Very low37Very low91 Ų91153 Ų15375%0.75281%0.808SS**  trans73122.7-163.300000113.6
4S37.8Very low36.7Very low91 Ų91153.4 Ų153.464%0.63681%0.81SS**  cis75.5138.434.2-52.40000112.5
5Y35.8Very low37.3Very low213 Ų213151.6 Ų151.684%0.83581%0.811SS**  cis-163.3172.8-2.4-99.5-28.6000107.1
6I37.9Very low37.1Very low131 Ų131149.9 Ų149.967%0.67281%0.813SS**  cis-153.3-176.37.9-142.4165.3000110.2
7R34.6Very low37.1Very low203 Ų203148.2 Ų148.277%0.76682%0.815SS**  trans-115.6155.5160.6-68.8-170.9-167.5161.42111.8
8R39.3Very low37Very low232 Ų232149.7 Ų149.788%0.87582%0.821SS**  trans-148.5123.5137.6-76.2-158.617681.31.9111.3
9D34.8Very low36.9Very low125 Ų125146.9 Ų146.967%0.66881%0.813SS**  trans-103.9146.7169.4-49.7-90000109.5
10T40.5Very low36.9Very low138 Ų138147.1 Ų147.185%0.84781%0.811SS**  trans-163.5105.3147.633.60000113
11L37Very low36.9Very low161 Ų161147.2 Ų147.284%0.84381%0.81SS**  trans26.9122.6134.2-54.3174.3000120.8
12V39.6Very low36.9Very low152 Ų152141.9 Ų141.992%0.92180%0.795SS**  trans-136.9138.6136.3179.60000108.1
13S41Very low37.2Very low103 Ų103139.5 Ų139.572%0.7279%0.79SS**  trans-142.2146.7178.756.70000112
14N33.2Very low37.4Very low158 Ų158141.3 Ų141.385%0.84580%0.797SS**PPolyproline II helixtrans-48.8135.2-170.7-54.5-29000115.7
15P46.5Very low37.4Very low127 Ų127141.6 Ų141.683%0.82580%0.799SS**PPolyproline II helixtrans-91.4137.2154.334.3-28.6000111
16C34Very low37.6Very low124 Ų124138 Ų13884%0.83879%0.792SS**PPolyproline II helixtrans-103.2152.8166.9-780000110.9
17S36.6Very low37.6Very low122 Ų122139.1 Ų139.185%0.85380%0.8SS**  trans-23.1119.4175-47.10000117.8
18L35.1Very low37.7Very low174 Ų174132.8 Ų132.891%0.91179%0.791SS**  trans-138.1148.9144.3-101.4174.7000108.9
19S34.2Very low37.6Very low98 Ų98128.4 Ų128.469%0.68579%0.785SS**  trans-147.1170.3-171.455.10000112.4
20I37.3Very low37.8Very low149 Ų149129.1 Ų129.176%0.76478%0.784SS**  trans81.3139.7168.7-29.4-176000116.6
21L37.2Very low37.8Very low151 Ų151129.4 Ų129.479%0.79178%0.776SS**  trans82.675.2162.9-78141.8000120.5
22S38.1Very low38Very low119 Ų119128.7 Ų128.783%0.83277%0.766SS**  43.6127.2111.4-49.10000122.3
23G36.7Very low37.9Very low68 Ų68127.8 Ų127.870%0.70176%0.756SS**  trans147.2111.2138.800000117.4
24S38.3Very low38Very low129 Ų129129.7 Ų129.790%0.90276%0.763SS**  trans50.3146.4137.9-590000122.3
25S37.9Very low38Very low97 Ų97127.5 Ų127.568%0.67876%0.76SS**  cis-175.3167-20.2-151.80000110
26I40.6Very low37.6Very low137 Ų137127 Ų12770%0.70376%0.759SS**  trans74.4122151.8-69156000120.6
27N37.4Very low37.7Very low155 Ų155129 Ų12983%0.82976%0.76SS**  trans62.4161.3150-69.90.6000122.3
28A37.2Very low37.5Very low70 Ų70128.1 Ų128.158%0.57976%0.755SS**  cis-175.8169.7-3100000109.4
29N36Very low37.7Very low140 Ų140126.5 Ų126.575%0.74975%0.752SS**  trans66.8149.9163.1-79.152.3000116.6
30E38.7Very low37.8Very low140 Ų140128.1 Ų128.165%0.65475%0.752SS**  cis-165.7-179.7-13-152.6176.3147.700109.3
31H41Very low37.8Very low144 Ų144133.1 Ų133.167%0.66776%0.761SS**  trans67.4153.5165.9-84.7-119.4000118.4
32K40.8Very low37.7Very low145 Ų145129.7 Ų129.763%0.6375%0.75SS**  cis-167.5161.3-41.1-121-178.2-159.4170.50109.5
33D39.4Very low37.5Very low134 Ų134134.6 Ų134.672%0.71775%0.752SS**  trans40120.3153.7-44.8-30.1000120.9
34V41.3Very low37.9Very low143 Ų143136.9 Ų136.987%0.86775%0.754SS**  -156.8132.2108.6179.30000108.8
35S34.3Very low37.6Very low111 Ų111138 Ų13878%0.77675%0.75SS**  trans-113.6145.3169.6-58.20000110.7
36S37.4Very low37.7Very low117 Ų117141.7 Ų141.782%0.81876%0.756SS**  trans-175.9158.1152.4-91.20000115.1
37L36Very low37.7Very low165 Ų165139.4 Ų139.486%0.86476%0.758SS**  trans63.983.8166.8-56-171.2000118.7
38S32.2Very low37.7Very low105 Ų105140.4 Ų140.473%0.73476%0.76SS**  trans-81.2152.314054.80000110.4
39T39.7Very low38.4Very low139 Ų139143 Ų14385%0.85377%0.771SS**  trans-143.2130.7161.3-720000108.9
40I36.4Very low38.3Very low133 Ų133141.7 Ų141.768%0.68277%0.773SS**  trans-102.4143.8-174.1-62.6165.7000109.7S42I40-S42 WeakPolarHBondContact CG2-OG 3.35Å
41R36.9Very low38.6Very low253 Ų253144.1 Ų144.196%0.95578%0.781SS**  trans-140.6151.8150.1-124178.5-176.2-159.7-1.2111
42S35Very low38.6Very low80 Ų80145.6 Ų145.656%0.55979%0.788SS**  trans-149.7145.5-150-81.40000112.6I40I40-S42 WeakPolarHBondContact CG2-OG 3.35Å
43Y34.9Very low38.4Very low221 Ų221143.9 Ų143.987%0.86779%0.794SS**  trans68.4168.1155.7-79.9-123.8000116.2
44P45.4Very low39Very low117 Ų117143.8 Ų143.876%0.7680%0.801SS**  cis-121.6175.60.639.3-24.5000115.6
45D31.6Very low38.6Very low151 Ų151143 Ų14381%0.80780%0.802SS**  trans-106.4149.8168.9175.825.7000110.2
46Q40.9Very low38.8Very low175 Ų175141.6 Ų141.682%0.81881%0.805SS**  trans-154.1122.9170.8-82.4-148.211.600116
47A40.2Very low38.8Very low89 Ų89139.4 Ų139.474%0.73680%0.8SS**  trans65.2115.7133.100000121.9
48M36.3Very low38.9Very low176 Ų176140.6 Ų140.687%0.86780%0.801SS**  trans-81.1159.2162.3-73.1-84.2-17400113.1
49P52.9Low38.9Very low126 Ų126140 Ų14082%0.81880%0.797SS**  trans-126.6118.1150.534.5-21.2000113.3
50S34.3Very low38.9Very low111 Ų111141.7 Ų141.778%0.77680%0.796SS**  trans-101.9136.5175.3-52.50000112
51K43.2Very low38.7Very low192 Ų192144.1 Ų144.184%0.83580%0.804SS**  trans-146.8124.1169.4-80.3-159.2174.2-174.50116
52H41.7Very low38.7Very low175 Ų175136.9 Ų136.981%0.8180%0.798SS**  trans57.6118.6146.6-70-82.6000123.1
53S36.2Very low38.7Very low109 Ų109137.7 Ų137.776%0.76280%0.804SS**  trans-84.3170.3148.8-31.50000111.8
54P52.1Low38.7Very low131 Ų131136.6 Ų136.685%0.85181%0.806SS**  trans-129.8173.8136.538.4-29.4000113.2
55S34.2Very low38.3Very low128 Ų128134.3 Ų134.390%0.89580%0.804SS**  trans-148.9157.9-179.6600000112.5
56G37.3Very low38.2Very low81 Ų81132.6 Ų132.684%0.83580%0.804SS**  trans132.3153.5161.800000117.2
57G36.9Very low38Very low70 Ų70131.4 Ų131.472%0.72280%0.801SS**  trans100109.6179.300000112.6
58Q38.9Very low37.9Very low190 Ų190135.3 Ų135.389%0.88880%0.804SS**  68.2143.861.9-63-173.411.100114.1
59S33.1Very low37.6Very low92 Ų92132 Ų13264%0.64380%0.798SS**  cis-175.7161.9-16.9-92.20000109.3
60Q39Very low37Very low176 Ų176132.2 Ų132.282%0.82280%0.799SS**  trans68.8147.2170-61.3162.328.800115.4
61Q32.7Very low36.7Very low184 Ų184135.5 Ų135.586%0.8680%0.8SS**  cis115.314813-90-169.4-39.800113.4
62A36.1Very low36.5Very low100 Ų100135.3 Ų135.383%0.82680%0.804SS**  trans71.4150176.500000116.4
63S35.7Very low36.1Very low98 Ų98132 Ų13269%0.68580%0.801SS**  cis-169.4140.9-10.241.30000113.9
64H33.8Very low36.4Very low198 Ų198132.5 Ų132.592%0.91780%0.802SS**  trans53.4143.6143.5-71.4-98.2000124
65G36.6Very low35.8Very low69 Ų69134.3 Ų134.371%0.71180%0.804SS**  trans109.5104.3169.200000112.9
66S31.1Very low35.8Very low114 Ų114133.6 Ų133.680%0.79780%0.799SS**  cis70.4107.126-164.10000115.6
67I36.5Very low35.9Very low150 Ų150136.8 Ų136.877%0.76980%0.803SS**  trans175.8127.4134.6-94.9158.9000112.8
68H36.6Very low35.7Very low172 Ų172141 Ų14180%0.79681%0.808SS**  trans53.5121.2153.9-7472.2000124
69S30.3Very low35.7Very low107 Ų107139.8 Ų139.875%0.74881%0.805SS**  trans-76.7165.6134.8-43.90000110.2
70P40.4Very low36Very low129 Ų129142.9 Ų142.984%0.83881%0.81SS**  -147.3170.7101.538.6-23.1000116.4
71K29.6Very low35.8Very low181 Ų181140.9 Ų140.979%0.78780%0.804SS**  trans-88.6142.8177.5151.9-172.7175.3178.60111.6
72M37Very low36Very low187 Ų187137.1 Ų137.192%0.92180%0.798SS**  trans-145.1164.5158.3-83.6-55.8157.500112.1
73S34.8Very low36Very low106 Ų106138.6 Ų138.674%0.74180%0.797SS**  trans-103.8169.1-172.4-102.10000113.6
74P41.3Very low36.2Very low120 Ų120140 Ų14078%0.77980%0.804SS**  trans-89.3168.5-179.137.8-36.7000113.5
75D39.5Very low36.2Very low168 Ų168136 Ų13690%0.89880%0.798SS**  trans-143.1161.9170-122.3-39000111.9
76S34.2Very low36.2Very low113 Ų113142 Ų14279%0.7981%0.805SS**  trans-122.5152-166.8-58.20000114.7
77T39.4Very low36.6Very low149 Ų149141.5 Ų141.591%0.91480%0.797SS**  trans-138.6139.3164.2420000111.8
78L32.3Very low36.4Very low159 Ų159139.3 Ų139.383%0.83280%0.795SS**  trans-140.7128.1-170.3-118.9-179.8000110.7
79I40.2Very low36.3Very low163 Ų163142 Ų14284%0.83680%0.8SS**  trans-144.4100.1168.9-56.7-175.9000111.4
80Q38.7Very low36.6Very low158 Ų158143.3 Ų143.374%0.73880%0.797SS**  39.8152.7116.7-57.5-151.1-9.800121.6
81L35.4Very low36.2Very low133 Ų133143.5 Ų143.570%0.69679%0.791SS**  cis-162.1169.15-14849.4000114.8
82S37Very low36.5Very low105 Ų105140.8 Ų140.873%0.73480%0.795SS**  trans87.3137.9139.468.10000123.2
83T35.6Very low36.2Very low131 Ų131138.1 Ų138.180%0.80479%0.79SS**  trans-127.9174.7168.259.40000108.5
84P38.9Very low36.3Very low127 Ų127140.2 Ų140.283%0.82580%0.798SS**  -158.4-171.291.741.6-19.8000117.4
85S35.4Very low35.9Very low115 Ų115139.2 Ų139.280%0.80479%0.794SS**  trans-88.9165.4-163.3-30.80000118.6
86F36.7Very low35.7Very low195 Ų195139.6 Ų139.686%0.85580%0.795SS**  trans-153.8106.2146.3-145.5-100000117.2
87V38.9Very low35.7Very low104 Ų104138.1 Ų138.163%0.6380%0.798SS**  trans35.5116.7132.1-172.20000123.3
88S32.4Very low35.3Very low103 Ų103140 Ų14072%0.7280%0.798SS**  trans33.5143.1133.5-45.40000125
89Y34.3Very low35.5Very low230 Ų230138.4 Ų138.490%0.90280%0.8SS**  -155171.3125.9-118.4-81.6000113.3
90L37.6Very low35.4Very low133 Ų133136.1 Ų136.170%0.69680%0.799SS**  trans-102.4158.4-148.7-72.3160.3000118.4
91N32.1Very low35.2Very low133 Ų133131.7 Ų131.771%0.71180%0.796SS**  trans52132140.3-66.1-8.8000122.8
92S34.4Very low35.3Very low125 Ų125133.1 Ų133.187%0.87480%0.804SS**  -157.2136.5110.3-81.30000111.8
93T31.3Very low35.2Very low131 Ų131133.9 Ų133.980%0.80481%0.807SS**  trans-118.9145.2-179.743.30000111.4
94T36.2Very low35.2Very low149 Ų149135.3 Ų135.391%0.91481%0.808SS**  trans-151.2150.6158.5-39.20000109
95S32.7Very low35Very low99 Ų99135.5 Ų135.569%0.69281%0.807SS**  trans-137.3-171.5-164.161.10000112.8
96L36.4Very low34.8Very low177 Ų177136.3 Ų136.393%0.92781%0.811SS**  trans97134.2172.6-52.7172.1000115.8
97G34.3Very low34.4Very low82 Ų82134.3 Ų134.385%0.84581%0.809SS**  trans149.341.9177.400000116.6
98M31.5Very low34.2Very low188 Ų188134.3 Ų134.393%0.92681%0.814SS**  trans-80.2126.9179.849.6165.462.300113.2
99S35.4Very low34.1Very low125 Ų125139.1 Ų139.187%0.87482%0.822SS**  trans-162.5169.1154.2-160.60000111.2
100S39.6Very low34.2Very low116 Ų116136.6 Ų136.681%0.81182%0.823SS**  trans-114.7161.3-16358.20000115.1
101G34.3Very low34Very low65 Ų65141.5 Ų141.567%0.6783%0.832SS**  114.279.9129.300000120
102N35.8Very low33.9Very low163 Ų163141 Ų14187%0.87284%0.839SS**  trans68160.9139.9-74-1.6000119.8
103P36.1Very low33.9Very low120 Ų120139.7 Ų139.778%0.77984%0.836SS**PPolyproline II helixtrans-99.1159.8-143.237-36.9000116.1
104I34.5Very low33.8Very low162 Ų162141.2 Ų141.283%0.83184%0.838SS**PPolyproline II helixtrans-72.9129.7176.7-60.8172.7000110.7
105T36.1Very low33.7Very low130 Ų130142 Ų14280%0.79884%0.836SS**PPolyproline II helixtrans-73.3120.8170.944.80000111.3D107T105-D107 PolarHBondContact O-N 3.45Å
106C30.6Very low33.7Very low132 Ų132142.1 Ų142.189%0.89284%0.837SS**  trans-98.570.5-179.851.20000112.9
107D27.6Very low33.7Very low153 Ų153141.5 Ų141.582%0.81884%0.835SS**  trans-120.585170.4-173.210.1000110.8T105T105-D107 PolarHBondContact O-N 3.45Å
108S34.3Very low33.7Very low104 Ų104140.7 Ų140.773%0.72783%0.826SS**  trans178.732.1166.635.20000115.7
109F31.4Very low34Very low205 Ų205139.8 Ų139.890%0.89982%0.824SS**  trans-127.196174-84.1-80.1000113.8
110L36.3Very low33.9Very low176 Ų176140.3 Ų140.392%0.92181%0.813SS**  trans-173.170.1137.4-103.4-177.7000111.6
111R33.7Very low33.9Very low237 Ų237141.6 Ų141.689%0.89480%0.804SS**SBendtrans-153.3126.5159.6-116.7177.6-175.2-171.51.6111.8
112S29.8Very low33.9Very low121 Ų121145.4 Ų145.485%0.84680%0.804SS**  trans67.571.9160.4-51.30000118.7
113A33.3Very low33.6Very low99 Ų99143.1 Ų143.182%0.81880%0.8SS**  trans-152.6123.1145.900000110.7
114L30.7Very low33.7Very low162 Ų162144.1 Ų144.185%0.84880%0.803SS**  trans-142.6148.7165.4-83.9176.1000107.3
115L32.9Very low33.6Very low166 Ų166139.9 Ų139.987%0.86980%0.799SS**  trans66.3139.3-171.5-51.2108.6000112.4
116S32.9Very low33.4Very low101 Ų101139.7 Ų139.771%0.70680%0.803SS**  cis-141.6-160.431.3-60.20000113.4
117D35.9Very low33.5Very low165 Ų165138.5 Ų138.588%0.88280%0.797SS**  trans79.5126.8169-50.4-20.4000116.6
118G34.9Very low34Very low64 Ų64138.1 Ų138.166%0.6680%0.8SS**  cis169.9155.2-9.600000113.4
119L37.6Very low33.9Very low169 Ų169140.1 Ų140.189%0.88580%0.802SS**  trans66.3147.9176.5-44.6167.5000113.7
120E34Very low34.1Very low137 Ų137138.9 Ų138.964%0.6480%0.804SS**  cis-159.8179.8-19.9-109.4-158.713100106.4
121K38.8Very low33.8Very low142 Ų142136.8 Ų136.862%0.61779%0.794SS**  cis-150.6173.411.3-146.3165.3-17771.90112.6
122Q34.9Very low33.9Very low145 Ų145133 Ų13368%0.67879%0.79SS**  trans-24.8138.2167.1-68.9162.8-22.100121.9
123C30Very low34.2Very low116 Ų116132.3 Ų132.378%0.78478%0.781SS**  52.2145.2119.3-53.50000121.1
124V36.9Very low34.3Very low141 Ų141135.1 Ų135.186%0.85578%0.776SS**  cis-162.9169.1-1-101.20000107.6
125G32.3Very low34.5Very low72 Ų72135.1 Ų135.174%0.74277%0.77SS**  cis116.9102.22.300000114
126S33.6Very low34.7Very low127 Ų127135.5 Ų135.589%0.88877%0.767SS**  trans-153.2163.6173.5-166.40000112.6
127S32.6Very low34.8Very low107 Ų107137.4 Ų137.475%0.74877%0.769SS**  trans-148.5151.5-167.8-57.70000113.3
128T38.1Very low35.1Very low144 Ų144134.3 Ų134.388%0.88376%0.758SS**  trans-135.8126.6157.446.10000111
129N31.4Very low35.2Very low147 Ų147136.4 Ų136.479%0.78676%0.762SS**  trans-91.6152168.5-78.7-97.7000109.6
130L35.5Very low35.2Very low179 Ų179134.5 Ų134.594%0.93776%0.758SS**  trans-133.6134.6141.8-78.5-179.1000109.4
131N30.7Very low35.3Very low131 Ų131136 Ų13670%0.70177%0.77SS**  trans-131.6124.5178.8171.322.6000106.5
132I35.7Very low35.4Very low159 Ų159134 Ų13482%0.81577%0.771SS**  trans-129.9120.1171.1-62.6-176.6000108
133T35.7Very low35.7Very low106 Ų106134 Ų13465%0.6578%0.776SS**  trans-93.7144.3-179.7470000110.5
134H36.1Very low36Very low157 Ų157135.6 Ų135.673%0.72778%0.775SS**  trans-161.4116.9143.6-127.7-118.9000114.6
135F33.8Very low36.1Very low162 Ų162137 Ų13771%0.71177%0.772SS**  trans86.1131.6133.3-89.5-144.1000124.1
136H37.4Very low36.6Very low174 Ų174139 Ų13981%0.80677%0.772SS**  trans81.6143.4162.3-85.5-83.4000121.6
137D36.2Very low36.6Very low142 Ų142139.6 Ų139.676%0.75977%0.774SS**  trans-158.1-170.8-146.8-161.829.3000107.8
138P41.3Very low36.9Very low100 Ų100139.1 Ų139.165%0.64977%0.771SS**  -117.3-177.5-98.538.2-22.3000114
139S36.5Very low36.8Very low107 Ų107139.4 Ų139.475%0.74877%0.766SS**  trans176.3164.6137.542.30000115
140T38Very low37.1Very low129 Ų129141.2 Ų141.279%0.79178%0.775SS**  trans81.894.716666.30000120.7
141L36.6Very low37.4Very low169 Ų169142.5 Ų142.589%0.88577%0.767SS**  trans-87-177.4143.6-77.2144.6000108.7
142P40.5Very low38Very low100 Ų100142.8 Ų142.865%0.64978%0.776SS**  cis-142.3-167.69.239.9-17.8000117.1
143N40.7Very low38.1Very low145 Ų145144.9 Ų144.978%0.77577%0.774SS**  trans78.1114142.2-90.9-21.7000123.1
144I36.4Very low38Very low150 Ų150144.2 Ų144.277%0.76978%0.78SS**  167.7120.6114.1-88.3159000113.3
145H39.6Very low38.2Very low169 Ų169143 Ų14378%0.78278%0.776SS**  trans28.3115.7154.1-63.7-97.5000122.9
146P42.1Very low38.5Very low114 Ų114141.5 Ų141.574%0.7478%0.78SS**  trans-83.1132.4150.333.1-30.8000111.7S148P146-S148 PolarHBondContact O-N 3.01Å
147C34.1Very low38.5Very low140 Ų140139.9 Ų139.995%0.94678%0.783SS**  trans-63.5132.1180-800000112.9
148S39.3Very low38.7Very low97 Ų97138.8 Ų138.868%0.67879%0.786SS**  trans-117142.4-174.3-71.70000112.3P146P146-S148 PolarHBondContact O-N 3.01Å
149L36.4Very low38.6Very low150 Ų150141.6 Ų141.679%0.78580%0.795SS**  trans54.9110.4151.2-59.6167.3000118.7
150L37.3Very low38.7Very low186 Ų186140.6 Ų140.697%0.97479%0.794SS**  trans-115.9109.5138.1-81.6177.6000110
151R42.1Very low39Very low205 Ų205139.7 Ų139.777%0.77479%0.793SS**  trans-113.2125.9-178.7173.5-178.1-177.2166.40.6107.2R153R151-R153 PolarHBondContact O-N 3.29Å
152P42Very low39.3Very low137 Ų137143.3 Ų143.389%0.8980%0.795SS**  trans-59.6112.7173.8-22.833.8000109.8
153R37.7Very low39.4Very low203 Ų203144.3 Ų144.377%0.76680%0.804SS**  trans-104.7124.2177174.9173.6171.5168.4-3.4108.5R151R151-R153 PolarHBondContact O-N 3.29Å
154A34.5Very low39.5Very low93 Ų93140.1 Ų140.177%0.76980%0.796SS**  trans-68.2138.7175.400000111.5
155M40.3Very low40.2Very low132 Ų132139.2 Ų139.265%0.6580%0.797SS**  trans-141.198.9162.3-60.1-64.5-15500104.9
156T40.7Very low40.5Very low130 Ų130136.4 Ų136.480%0.79879%0.794SS**  59.8114.4101.256.70000115.1
157T37.2Very low40.7Very low140 Ų140137.6 Ų137.686%0.85980%0.799SS**  trans-66.9140.7171.148.40000113.7
158S39.5Very low41Very low118 Ų118134.1 Ų134.183%0.82579%0.787SS**  trans-174.5157.8130.451.30000113.2
159N38.4Very low41.2Very low159 Ų159136.4 Ų136.485%0.8579%0.791SS**  trans-66.9160.6-176.6-46.7-17.7000113.3
160A40.3Very low41.5Very low87 Ų87135.3 Ų135.372%0.71979%0.791SS**  169.2123.8103.700000116.3
161S43.5Very low41.8Very low110 Ų110131.6 Ų131.677%0.76978%0.778SS**  70.2139.6127.2-58.50000124.2
162R43.5Very low41.7Very low244 Ų244128.5 Ų128.592%0.92178%0.782SS**  trans75.6149.8158.6-68.6167.9158.3-162.2-8.5118
163S41.3Very low41.7Very low121 Ų121127.7 Ų127.785%0.84678%0.779SS**  cis144.8132.5-24.7178.60000109.7
164G43Very low41.6Very low58 Ų58121.4 Ų121.460%0.59878%0.778SS**  trans132.4104175.800000111.7
165T50.7Low42.1Very low131 Ų131123 Ų12380%0.80478%0.784SS**  83.2146.754.2640000114.5
166P46.9Very low42.3Very low109 Ų109122.4 Ų122.471%0.70879%0.793SS**  cis-150.4-175.3-30.942.8-24.3000116.6
167V47.1Very low42.1Very low140 Ų140120.5 Ų120.585%0.84879%0.79SS**  trans64.6139156.7-175.20000120.3
168G39.1Very low42Very low67 Ų67119.5 Ų119.569%0.69179%0.787SS**  trans164.336.3161.100000123.5
169N44.4Very low42Very low145 Ų145119 Ų11978%0.77579%0.79SS**  trans47.2101.5157.4-58.15.7000122
170T42.7Very low42.4Very low127 Ų127116.9 Ų116.978%0.77979%0.788SS**  19.8156.1121.863.80000122.2
171P42.7Very low42.5Very low108 Ų108116.7 Ų116.770%0.70179%0.786SS**  -141.3157-51.539.1-22.1000113.9
172T39.9Very low43Very low139 Ų139117.7 Ų117.785%0.85379%0.79SS**  trans177.5152.514019.70000113.6
173S41.6Very low42.8Very low120 Ų120112.1 Ų112.184%0.83978%0.783SS**  trans30.5112.2148.1-53.60000120.9
174G37.5Very low42.9Very low71 Ų71111.5 Ų111.573%0.73278%0.779SS**  trans143.9103.614800000117.4
175S44.5Very low43.4Very low127 Ų127115.8 Ų115.889%0.88879%0.794SS**  trans54.5116.9140.7-56.30000121.9
176S44.2Very low43.5Very low120 Ų120115.1 Ų115.184%0.83979%0.789SS**  109.3148.2128.3-150.40000120.1
177A36.9Very low43.6Very low89 Ų89115.4 Ų115.474%0.73679%0.791SS**  trans5497.4156.600000120.8
178C34.8Very low43.9Very low119 Ų119115.8 Ų115.880%0.80479%0.787SS**  -162.8100.8113.754.40000111.9S180C178-S180 PolarHBondContact O-N 3.42Å
179A39Very low44.3Very low107 Ų107121.9 Ų121.988%0.88480%0.795SS**  trans-82.7100.1174.600000110.7A181A179-A181 PolarHBondContact O-N 3.31Å
180S46.7Very low44.4Very low115 Ų115124.9 Ų124.980%0.80480%0.801SS**  trans-77.5113.8176.3-63.90000111.3C178C178-S180 PolarHBondContact O-N 3.42Å
181A43.3Very low44.5Very low83 Ų83123.4 Ų123.469%0.68680%0.796SS**  trans-86135.1-174.800000113.4A179 T183A179-A181 PolarHBondContact O-N 3.31Å; A181-T183 PolarHBondContact O-N 2.98Å
182P52.8Low45.2Very low132 Ų132123.5 Ų123.586%0.85780%0.799SS**  trans-8690.9166.932.9-31.4000110.9S184P182-S184 PolarHBondContact O-N 3.42Å
183T40.6Very low46.2Very low127 Ų127128 Ų12878%0.77980%0.8SS**  trans-74.7114.2171.547.40000111.7A181A181-T183 PolarHBondContact O-N 2.98Å
184S43.6Very low47.8Very low107 Ų107131.9 Ų131.975%0.74880%0.797SS**  trans171.356.2142.259.60000114.8P182 T186P182-S184 PolarHBondContact O-N 3.42Å; S184-T186 PolarHBondContact O-N 3.19Å
185T52.5Low50.2Low149 Ų149131.3 Ų131.391%0.91478%0.776SS**  trans-72.194.8163.232.60000109.9
186T53.6Low52.2Low116 Ų116129.3 Ų129.371%0.71276%0.761SS**  trans-63.5135.4174.852.20000110.1S184 I188S184-T186 PolarHBondContact O-N 3.19Å; T186-I188 PolarHBondContact O-N 3.43Å
187P48.1Very low54.3Low115 Ų115125.4 Ų125.475%0.74773%0.728SS**  trans-71.6105.9-176.427.2-33.5000109.9K189P187-K189 PolarHBondContact O-N 3.33Å
188I53.3Low56.9Low149 Ų149122.5 Ų122.576%0.76471%0.706SS**  trans-52.9112.4169.9-61.6176.2000107.5T186 K190T186-I188 PolarHBondContact O-N 3.43Å; I188-K190 PolarHBondContact O-N 2.85Å
189K46.7Very low59.6Low195 Ų195121.7 Ų121.785%0.84870%0.702SS**  trans-67.790.5-174.3-71-178.8177.3177.50110.2P187 S191P187-K189 PolarHBondContact O-N 3.33Å; K189-S191 PolarHBondContact O-N 3.37Å
190K46.6Very low62.1Low207 Ų207119.9 Ų119.990%0.968%0.675SS**  trans-69.258.6173-64.7178.6-176.7176.30111.2I188I188-K190 PolarHBondContact O-N 2.85Å
191S45.3Very low64.4Low97 Ų97115.8 Ų115.868%0.67865%0.645SS**  trans-125.123.6-172.9-170.80000113.2K189 R193K189-S191 PolarHBondContact O-N 3.37Å; S191-R193 PolarHBondContact O-N 3.32Å
192S58.4Low66.9Low109 Ų109114.4 Ų114.476%0.76262%0.623SS**SBendtrans-73.2106.9149.3-172.30000106.4R194S192-R194 PolarHBondContact O-N 3.34Å
193R60.1Low68.9Low233 Ų233108.5 Ų108.588%0.87959%0.585SS**  trans-63.8106.8177.2-75.3-167.9-81.1-159.2-2.9107.7S191S191-R193 PolarHBondContact O-N 3.32Å
194R76.3Confident71.5Confident203 Ų203105 Ų10577%0.76656%0.561SS**  trans-58.3147.8173.7-69-172.7-68.6-171.11109S192S192-R194 PolarHBondContact O-N 3.34Å
195N86.5Confident74Confident58 Ų5899.9 Ų99.931%0.3153%0.526SS..BIsolated β-bridgetrans-65.1151175-61.7-30.7000108.8W197 G198 E200N195-W197 HydrophobicContact CB-CD2 3.72Å; N195-W197 HydrophobicContact CB-CE3 4.13Å; N195-W197 HydrophobicContact CB-CG 4.28Å; N195-W197 HydrophobicContact CB-CH2 3.94Å; N195-W197 HydrophobicContact CB-CZ2 3.51Å; N195-W197 HydrophobicContact CB-CZ3 4.22Å; N195-W197 VanDerWaalsContact CG-CZ2 3.49Å; N195-W197 WeakPolarHBondContact ND2-CZ2 3.04Å; N195-W197 PolarHBondContact O-N 2.98Å; N195-W197 VanDerWaalsContact O-N 3.16Å; N195-G198 CarbonylContact C-O 3.57Å; N195-G198 WeakPolarHBondContact CA-O 3.18Å; N195-G198 WeakPolarHBondContact CB-O 3.47Å; N195-G198 PolarHBondContact N-O 3.01Å; N195-G198 PolarHBondContact O-N 2.82Å; N195-E200 PolarHBondContact ND2-O 3.03Å
196P86.1Confident76.1Confident86 Ų8692.8 Ų92.856%0.55848%0.482SS*.THydrogen-bonded Turntrans-66.9-15.7-177.824.8-33000113.6Y233P196-Y233 HydrophobicContact CB-CD2 3.7Å; P196-Y233 HydrophobicContact CB-CE2 3.46Å; P196-Y233 VanDerWaalsContact CB-CE2 3.46Å; P196-Y233 HydrophobicContact CB-CG 4.36Å; P196-Y233 HydrophobicContact CG-CD1 4.21Å; P196-Y233 HydrophobicContact CG-CD2 3.87Å; P196-Y233 HydrophobicContact CG-CE1 3.72Å; P196-Y233 HydrophobicContact CG-CE2 3.32Å; P196-Y233 HydrophobicContact CG-CG 4.26Å; P196-Y233 WeakPolarHBondContact CG-OH 3.38Å
197W90Very high78.1Confident37 Ų3787.4 Ų87.414%0.1445%0.449CS..THydrogen-bonded Turntrans-91.9-2.616959.584.9000114.1N195 E200 Y202 Y231 Y233 F234N195-W197 HydrophobicContact CB-CD2 3.72Å; N195-W197 HydrophobicContact CB-CE3 4.13Å; N195-W197 HydrophobicContact CB-CG 4.28Å; N195-W197 HydrophobicContact CB-CH2 3.94Å; N195-W197 HydrophobicContact CB-CZ2 3.51Å; N195-W197 HydrophobicContact CB-CZ3 4.22Å; N195-W197 VanDerWaalsContact CG-CZ2 3.49Å; N195-W197 WeakPolarHBondContact ND2-CZ2 3.04Å; N195-W197 PolarHBondContact O-N 2.98Å; N195-W197 VanDerWaalsContact O-N 3.16Å; W197-E200 PolarHBondContact NE1-O 3Å; W197-Y202 AromaticContact CH2-CE1 3.72Å; W197-Y202 HydrophobicContact CH2-CE1 3.72Å; W197-Y202 HydrophobicContact CH2-CE2 4.09Å; W197-Y202 AromaticContact CH2-CZ 3.46Å; W197-Y202 VanDerWaalsContact CH2-CZ 3.46Å; W197-Y202 WeakPolarHBondContact CH2-OH 3.37Å; W197-Y202 HydrophobicContact CZ2-CD1 4.21Å; W197-Y202 AromaticContact CZ2-CE1 3.81Å; W197-Y202 HydrophobicContact CZ2-CE1 3.81Å; W197-Y202 HydrophobicContact CZ2-CE2 4.3Å; W197-Y202 AromaticContact CZ2-CZ 3.87Å; W197-Y231 HydrophobicContact CB-CD1 4.21Å; W197-Y233 AromaticContact CE3-CD1 3.67Å; W197-Y233 HydrophobicContact CE3-CD1 3.67Å; W197-Y233 AromaticContact CE3-CE1 3.75Å; W197-Y233 HydrophobicContact CE3-CE1 3.75Å; W197-Y233 HydrophobicContact CE3-CG 4.47Å; W197-Y233 HydrophobicContact CZ3-CD1 4.22Å; W197-Y233 AromaticContact CZ3-CE1 3.85Å; W197-Y233 HydrophobicContact CZ3-CE1 3.85Å; W197-F234 HydrophobicContact CB-CE2 4.11Å; W197-F234 AromaticContact CD2-CE2 3.81Å; W197-F234 HydrophobicContact CD2-CE2 3.81Å; W197-F234 AromaticContact CD2-CZ 3.82Å; W197-F234 HydrophobicContact CD2-CZ 3.82Å; W197-F234 HydrophobicContact CE3-CE1 4.45Å; W197-F234 AromaticContact CE3-CE2 3.72Å; W197-F234 HydrophobicContact CE3-CE2 3.72Å; W197-F234 AromaticContact CE3-CZ 3.43Å; W197-F234 HydrophobicContact CE3-CZ 3.43Å; W197-F234 VanDerWaalsContact CE3-CZ 3.43Å; W197-F234 AromaticContact CG-CE2 4Å; W197-F234 HydrophobicContact CG-CE2 4Å; W197-F234 HydrophobicContact CG-CZ 4.48Å; W197-F234 HydrophobicContact CH2-CZ 4.27Å; W197-F234 HydrophobicContact CZ3-CE1 4.44Å; W197-F234 HydrophobicContact CZ3-CE2 4.43Å; W197-F234 AromaticContact CZ3-CZ 3.69Å; W197-F234 HydrophobicContact CZ3-CZ 3.69Å
198G91.1Very high80.3Confident28 Ų2884.4 Ų84.429%0.28943%0.429SS..BIsolated β-bridgetrans137.3-157.7176.300000115.5N195 E200N195-G198 CarbonylContact C-O 3.57Å; N195-G198 WeakPolarHBondContact CA-O 3.18Å; N195-G198 WeakPolarHBondContact CB-O 3.47Å; N195-G198 PolarHBondContact N-O 3.01Å; N195-G198 PolarHBondContact O-N 2.82Å; G198-E200 VanDerWaalsContact C-N 3.35Å
199S91.5Very high82.4Confident102 Ų10277.3 Ų77.371%0.71339%0.392SS*.SBendtrans-83.6-8.4174.840.50000114.2
200E91.3Very high84.8Confident69 Ų6968.1 Ų68.132%0.32235%0.352SS..  trans-76.3136.5-174.4-60.5-169.4142.400112.4N195 W197 G198 D204 L205 Y231N195-E200 PolarHBondContact ND2-O 3.03Å; W197-E200 PolarHBondContact NE1-O 3Å; G198-E200 VanDerWaalsContact C-N 3.35Å; E200-D204 HydrophobicContact CB-CB 4.12Å; E200-L205 HydrophobicContact CB-CD2 3.66Å; E200-L205 WeakPolarHBondContact OE2-CD2 3.34Å; E200-Y231 VanDerWaalsContact OE2-CE1 3.25Å; E200-Y231 WeakPolarHBondContact OE2-CE1 3.44Å; E200-Y231 PolarHBondContact OE2-OH 3.43Å
201T93.9Very high87.1Confident29 Ų2965.3 Ų65.318%0.17834%0.336CS..  trans-82.3162.5172.171.30000110.8S203 D204 L205T201-S203 PolarHBondContact O-N 2.76Å; T201-D204 WeakPolarHBondContact CA-OD2 3.39Å; T201-D204 VanDerWaalsContact CB-OD2 3.32Å; T201-D204 WeakPolarHBondContact CB-OD2 3.05Å; T201-D204 PolarHBondContact N-OD2 3.43Å; T201-D204 WeakPolarHBondContact O-CA 3.44Å; T201-D204 WeakPolarHBondContact O-CB 3.41Å; T201-D204 PolarHBondContact O-N 3.03Å; T201-D204 VanDerWaalsContact OG1-CG 3.3Å; T201-D204 PolarHBondContact OG1-N 2.85Å; T201-D204 PolarHBondContact OG1-OD2 3.37Å; T201-L205 WeakPolarHBondContact O-CG 3.33Å; T201-L205 PolarHBondContact O-N 2.89Å
202Y96.1Very high89.5Confident55 Ų5563.6 Ų63.622%0.21632%0.324CS..Hα-helixtrans-53-38.4175.5-73.1-62.3000112.7W197 D204 L205 I206 F234 S249 I250W197-Y202 AromaticContact CH2-CE1 3.72Å; W197-Y202 HydrophobicContact CH2-CE1 3.72Å; W197-Y202 HydrophobicContact CH2-CE2 4.09Å; W197-Y202 AromaticContact CH2-CZ 3.46Å; W197-Y202 VanDerWaalsContact CH2-CZ 3.46Å; W197-Y202 WeakPolarHBondContact CH2-OH 3.37Å; W197-Y202 HydrophobicContact CZ2-CD1 4.21Å; W197-Y202 AromaticContact CZ2-CE1 3.81Å; W197-Y202 HydrophobicContact CZ2-CE1 3.81Å; W197-Y202 HydrophobicContact CZ2-CE2 4.3Å; W197-Y202 AromaticContact CZ2-CZ 3.87Å; Y202-D204 VanDerWaalsContact C-N 3.25Å; Y202-D204 PolarHBondContact O-N 2.99Å; Y202-L205 HydrophobicContact CD1-CD1 3.98Å; Y202-L205 PolarHBondContact O-N 2.75Å; Y202-I206 WeakPolarHBondContact O-CD1 3.49Å; Y202-I206 WeakPolarHBondContact O-CG1 3.25Å; Y202-I206 PolarHBondContact O-N 3.31Å; Y202-F234 HydrophobicContact CE1-CZ 4.32Å; Y202-S249 WeakPolarHBondContact CE2-OG 3.4Å; Y202-S249 PolarHBondContact OH-OG 2.88Å; Y202-I250 HydrophobicContact CD1-CD1 3.63Å; Y202-I250 HydrophobicContact CE1-CD1 4.34Å; Y202-I250 HydrophobicContact CG-CD1 4.33Å
203S95.1Very high91.2Very high8 Ų861.1 Ų61.16%0.05630%0.298CS..Hα-helixtrans-62.8-30175.2-34.20000112.7T201 S207 N253 H257 F260T201-S203 PolarHBondContact O-N 2.76Å; S203-S207 WeakPolarHBondContact O-CB 3.15Å; S203-S207 PolarHBondContact O-N 2.95Å; S203-S207 VanDerWaalsContact O-N 3.12Å; S203-S207 PolarHBondContact O-OG 2.98Å; S203-N253 PolarHBondContact OG-OD1 3.18Å; S203-N253 VanDerWaalsContact OG-OD1 3.09Å; S203-H257 PolarHBondContact OG-CD2 3.34Å; S203-H257 PolarHBondContact OG-NE2 3.38Å; S203-F260 WeakPolarHBondContact O-CZ 3.46Å
204D94.9Very high92.8Very high53 Ų5355.6 Ų55.628%0.28329%0.293SS..Hα-helixtrans-76.1-45.6173.8-53.1-53.2000110.4E200 T201 Y202 I206 S207 V208E200-D204 HydrophobicContact CB-CB 4.12Å; T201-D204 WeakPolarHBondContact CA-OD2 3.39Å; T201-D204 VanDerWaalsContact CB-OD2 3.32Å; T201-D204 WeakPolarHBondContact CB-OD2 3.05Å; T201-D204 PolarHBondContact N-OD2 3.43Å; T201-D204 WeakPolarHBondContact O-CA 3.44Å; T201-D204 WeakPolarHBondContact O-CB 3.41Å; T201-D204 PolarHBondContact O-N 3.03Å; T201-D204 VanDerWaalsContact OG1-CG 3.3Å; T201-D204 PolarHBondContact OG1-N 2.85Å; T201-D204 PolarHBondContact OG1-OD2 3.37Å; Y202-D204 VanDerWaalsContact C-N 3.25Å; Y202-D204 PolarHBondContact O-N 2.99Å; D204-I206 VanDerWaalsContact C-N 3.31Å; D204-I206 PolarHBondContact O-N 3.38Å; D204-S207 CarbonylContact O-C 3.58Å; D204-S207 WeakPolarHBondContact O-CA 3.46Å; D204-S207 WeakPolarHBondContact O-CB 3.44Å; D204-S207 PolarHBondContact O-N 3.3Å; D204-V208 WeakPolarHBondContact O-CG2 3.46Å; D204-V208 PolarHBondContact O-N 2.82Å
205L95.8Very high93.6Very high0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-56-45.6175.9-41.9-176.2000111.5E200 T201 Y202 S207 V208 A209 I227 Y231 F234E200-L205 HydrophobicContact CB-CD2 3.66Å; E200-L205 WeakPolarHBondContact OE2-CD2 3.34Å; T201-L205 WeakPolarHBondContact O-CG 3.33Å; T201-L205 PolarHBondContact O-N 2.89Å; Y202-L205 HydrophobicContact CD1-CD1 3.98Å; Y202-L205 PolarHBondContact O-N 2.75Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-V208 PolarHBondContact O-N 3.43Å; L205-A209 WeakPolarHBondContact O-CB 3.5Å; L205-A209 PolarHBondContact O-N 3.2Å; L205-I227 HydrophobicContact CB-CD1 4.23Å; L205-I227 HydrophobicContact CB-CG1 4.41Å; L205-Y231 HydrophobicContact CB-CE2 4.27Å; L205-Y231 HydrophobicContact CD2-CD1 4.42Å; L205-Y231 HydrophobicContact CD2-CE1 3.72Å; L205-Y231 HydrophobicContact CD2-CE2 3.99Å; L205-Y231 VanDerWaalsContact CD2-CZ 3.46Å; L205-Y231 WeakPolarHBondContact CD2-OH 3.28Å; L205-F234 HydrophobicContact CD1-CE2 4.4Å; L205-F234 HydrophobicContact CD1-CZ 4.47Å
206I96.6Very high93.9Very high0 Ų055.1 Ų55.10%030%0.298CS..Hα-helixtrans-64.3-39.3176.7-65160.8000110.5Y202 D204 V208 A209 I210 I223 I250 N253 L254 F260Y202-I206 WeakPolarHBondContact O-CD1 3.49Å; Y202-I206 WeakPolarHBondContact O-CG1 3.25Å; Y202-I206 PolarHBondContact O-N 3.31Å; D204-I206 VanDerWaalsContact C-N 3.31Å; D204-I206 PolarHBondContact O-N 3.38Å; I206-V208 VanDerWaalsContact C-N 3.33Å; I206-V208 PolarHBondContact O-N 3.24Å; I206-A209 PolarHBondContact O-N 3.08Å; I206-I210 HydrophobicContact CG2-CD1 3.76Å; I206-I210 HydrophobicContact CG2-CG1 4.39Å; I206-I210 WeakPolarHBondContact O-CG1 3.3Å; I206-I210 PolarHBondContact O-N 3.16Å; I206-I223 HydrophobicContact CG1-CG2 4.25Å; I206-I250 HydrophobicContact CD1-CD1 4.04Å; I206-I250 HydrophobicContact CD1-CG2 4.14Å; I206-I250 HydrophobicContact CG1-CD1 3.99Å; I206-I250 HydrophobicContact CG1-CG2 4.26Å; I206-N253 HydrophobicContact CD1-CB 3.78Å; I206-L254 HydrophobicContact CD1-CD2 4.44Å; I206-L254 HydrophobicContact CD1-CG 4.23Å; I206-L254 HydrophobicContact CG2-CD2 3.65Å; I206-F260 HydrophobicContact CB-CE1 4.19Å; I206-F260 HydrophobicContact CB-CE2 4.46Å; I206-F260 HydrophobicContact CB-CZ 3.89Å; I206-F260 HydrophobicContact CG2-CD1 3.91Å; I206-F260 HydrophobicContact CG2-CE1 3.49Å; I206-F260 VanDerWaalsContact CG2-CE1 3.49Å; I206-F260 HydrophobicContact CG2-CE2 4.13Å; I206-F260 HydrophobicContact CG2-CG 4.41Å; I206-F260 HydrophobicContact CG2-CZ 3.61Å
207S95.7Very high94.3Very high2 Ų252.3 Ų52.31%0.01428%0.277CS..Hα-helixtrans-65.6-35.4176.7-60.10000112.1S203 D204 L205 R211 R259S203-S207 WeakPolarHBondContact O-CB 3.15Å; S203-S207 PolarHBondContact O-N 2.95Å; S203-S207 VanDerWaalsContact O-N 3.12Å; S203-S207 PolarHBondContact O-OG 2.98Å; D204-S207 CarbonylContact O-C 3.58Å; D204-S207 WeakPolarHBondContact O-CA 3.46Å; D204-S207 WeakPolarHBondContact O-CB 3.44Å; D204-S207 PolarHBondContact O-N 3.3Å; L205-S207 VanDerWaalsContact C-N 3.33Å; S207-R211 WeakPolarHBondContact O-CB 3.47Å; S207-R211 WeakPolarHBondContact O-CD 3.48Å; S207-R211 WeakPolarHBondContact O-CG 3.1Å; S207-R211 PolarHBondContact O-N 3.02Å; S207-R259 PolarHBondContact OG-NH1 3.17Å
208V95.7Very high94.5Very high53 Ų5350.6 Ų50.632%0.32127%0.271SS..Hα-helixtrans-71-45.4173.81780000110.4D204 L205 I206 I210 R211 S212 F226D204-V208 WeakPolarHBondContact O-CG2 3.46Å; D204-V208 PolarHBondContact O-N 2.82Å; L205-V208 PolarHBondContact O-N 3.43Å; I206-V208 VanDerWaalsContact C-N 3.33Å; I206-V208 PolarHBondContact O-N 3.24Å; V208-I210 PolarHBondContact O-N 2.88Å; V208-R211 PolarHBondContact O-N 2.7Å; V208-S212 PolarHBondContact O-N 2.96Å; V208-F226 HydrophobicContact CG1-CE1 4.03Å; V208-F226 HydrophobicContact CG1-CZ 3.83Å
209A96.8Very high94.7Very high0 Ų049.8 Ų49.80%026%0.26CS..Hα-helixtrans-57.9-47.4178.500000113.1L205 I206 R211 S212 Y213 I223 F226L205-A209 WeakPolarHBondContact O-CB 3.5Å; L205-A209 PolarHBondContact O-N 3.2Å; I206-A209 PolarHBondContact O-N 3.08Å; A209-R211 VanDerWaalsContact C-N 3.29Å; A209-R211 PolarHBondContact O-N 3.17Å; A209-S212 PolarHBondContact O-N 3.06Å; A209-S212 PolarHBondContact O-OG 2.95Å; A209-Y213 WeakPolarHBondContact O-CD2 3.38Å; A209-Y213 WeakPolarHBondContact O-CE2 3.41Å; A209-I223 HydrophobicContact CB-CG2 4.46Å; A209-F226 HydrophobicContact CB-CB 4.02Å; A209-F226 HydrophobicContact CB-CD1 3.33Å; A209-F226 HydrophobicContact CB-CD2 4.38Å; A209-F226 HydrophobicContact CB-CE1 3.9Å; A209-F226 HydrophobicContact CB-CG 3.63Å
210I96.5Very high95Very high1 Ų147 Ų471%0.00524%0.237CC..Hα-helixtrans-68.7-30.5-179.6-64.3169.1000111.3I206 V208 K216 A218 I223 F260 W275 I277I206-I210 HydrophobicContact CG2-CD1 3.76Å; I206-I210 HydrophobicContact CG2-CG1 4.39Å; I206-I210 WeakPolarHBondContact O-CG1 3.3Å; I206-I210 PolarHBondContact O-N 3.16Å; V208-I210 PolarHBondContact O-N 2.88Å; I210-K216 WeakPolarHBondContact CG2-O 3.38Å; I210-A218 HydrophobicContact CG1-CB 4.17Å; I210-I223 HydrophobicContact CD1-CD1 4.34Å; I210-I223 HydrophobicContact CG1-CD1 4.2Å; I210-I223 HydrophobicContact CG1-CG1 4.46Å; I210-F260 HydrophobicContact CD1-CD1 3.96Å; I210-F260 HydrophobicContact CD1-CE1 4.29Å; I210-W275 HydrophobicContact CD1-CB 4.22Å; I210-I277 HydrophobicContact CB-CD1 4.08Å; I210-I277 HydrophobicContact CB-CG1 4.06Å; I210-I277 HydrophobicContact CD1-CG1 4.17Å; I210-I277 HydrophobicContact CG2-CD1 4.16Å; I210-I277 HydrophobicContact CG2-CG1 3.88Å
211R95.6Very high95.1Very high148 Ų14848.2 Ų48.256%0.55824%0.243SC*.Hα-helixtrans-74.6-18.5177.2-73.6170.1-173.8153.8-3.3114.3S207 V208 A209 Y213 I277S207-R211 WeakPolarHBondContact O-CB 3.47Å; S207-R211 WeakPolarHBondContact O-CD 3.48Å; S207-R211 WeakPolarHBondContact O-CG 3.1Å; S207-R211 PolarHBondContact O-N 3.02Å; V208-R211 PolarHBondContact O-N 2.7Å; A209-R211 VanDerWaalsContact C-N 3.29Å; A209-R211 PolarHBondContact O-N 3.17Å; R211-Y213 VanDerWaalsContact C-N 3.34Å; R211-I277 HydrophobicContact CG-CD1 3.89Å
212S95.2Very high95.2Very high62 Ų6249.8 Ų49.843%0.43425%0.248SC..Hα-helixtrans-77.9-20.2179.869.30000113.5V208 A209 F226V208-S212 PolarHBondContact O-N 2.96Å; A209-S212 PolarHBondContact O-N 3.06Å; A209-S212 PolarHBondContact O-OG 2.95Å; S212-F226 VanDerWaalsContact CB-CE2 3.43Å; S212-F226 VanDerWaalsContact OG-CD2 3.23Å; S212-F226 WeakPolarHBondContact OG-CD2 3.47Å; S212-F226 WeakPolarHBondContact OG-CE2 3.4Å
213Y94.8Very high95.2Very high57 Ų5747.1 Ų47.122%0.22424%0.238CC..SBendtrans-86.3138177.1-66-77.9000110.5A209 R211 D215 K216 A218 Q222A209-Y213 WeakPolarHBondContact O-CD2 3.38Å; A209-Y213 WeakPolarHBondContact O-CE2 3.41Å; R211-Y213 VanDerWaalsContact C-N 3.34Å; Y213-D215 VanDerWaalsContact C-N 3.32Å; Y213-D215 PolarHBondContact O-N 3.25Å; Y213-K216 PolarHBondContact O-N 3.25Å; Y213-A218 HydrophobicContact CD2-CB 3.72Å; Y213-A218 HydrophobicContact CE2-CB 3.89Å; Y213-Q222 HydrophobicContact CE1-CB 4.49Å; Y213-Q222 HydrophobicContact CE1-CG 4.31Å; Y213-Q222 HydrophobicContact CE2-CB 4.07Å; Y213-Q222 WeakPolarHBondContact OH-CB 3.25Å; Y213-Q222 PolarHBondContact OH-O 3.24Å
214P93.6Very high95.3Very high117 Ų11747.4 Ų47.476%0.7624%0.238SC*.THydrogen-bonded Turntrans-59.3-42.2-173.522.6-32.9000112.4K216P214-K216 PolarHBondContact O-N 3.46Å; P214-K216 VanDerWaalsContact O-N 3.08Å
215D91.9Very high95.3Very high96 Ų9648.3 Ų48.351%0.51324%0.242SC..THydrogen-bonded Turntrans-63.7-6.9176.3-59.417.4000114.9Y213 Q217Y213-D215 VanDerWaalsContact C-N 3.32Å; Y213-D215 PolarHBondContact O-N 3.25Å; D215-Q217 HydrophobicContact CB-CB 4.42Å; D215-Q217 HydrophobicContact CB-CG 3.63Å; D215-Q217 PolarHBondContact O-N 3.28Å; D215-Q217 VanDerWaalsContact O-N 3.14Å; D215-Q217 PolarHBondContact OD2-NE2 3.13Å
216K93.5Very high95.3Very high154 Ų15448.7 Ų48.767%0.6724%0.244SC*.SBendtrans54.427.6-170.4-54.1171.6-172.8167.40113.3I210 Y213 P214I210-K216 WeakPolarHBondContact CG2-O 3.38Å; Y213-K216 PolarHBondContact O-N 3.25Å; P214-K216 PolarHBondContact O-N 3.46Å; P214-K216 VanDerWaalsContact O-N 3.08Å
217Q93.8Very high95.2Very high28 Ų2848.7 Ų48.713%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-137.5143.2179.982.1-160.8-20.100110.8D215 Y274 W275 R276D215-Q217 HydrophobicContact CB-CB 4.42Å; D215-Q217 HydrophobicContact CB-CG 3.63Å; D215-Q217 PolarHBondContact O-N 3.28Å; D215-Q217 VanDerWaalsContact O-N 3.14Å; D215-Q217 PolarHBondContact OD2-NE2 3.13Å; Q217-Y274 HydrophobicContact CG-CD1 3.97Å; Q217-Y274 HydrophobicContact CG-CD2 4.33Å; Q217-Y274 HydrophobicContact CG-CE1 4.34Å; Q217-Y274 HydrophobicContact CG-CG 3.99Å; Q217-W275 WeakPolarHBondContact CA-O 3.14Å; Q217-R276 HydrophobicContact CB-CG 3.39Å
218A95.3Very high95.2Very high0 Ų049.9 Ų49.90%025%0.25CS..EExtended strand (participates in β ladder)trans-139.9143.1178.100000111.3I210 Y213 Q222 I223 W275I210-A218 HydrophobicContact CG1-CB 4.17Å; Y213-A218 HydrophobicContact CD2-CB 3.72Å; Y213-A218 HydrophobicContact CE2-CB 3.89Å; A218-Q222 HydrophobicContact CB-CB 4.22Å; A218-I223 HydrophobicContact CB-CD1 4.29Å; A218-I223 HydrophobicContact CB-CG1 3.8Å; A218-W275 PolarHBondContact N-O 3.43Å; A218-W275 PolarHBondContact O-N 3.23Å
219T95.8Very high95.1Very high11 Ų1151.2 Ų51.27%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-71.5160.1165.960.90000111Q221 Q222 I223 K265 Y274T219-Q221 PolarHBondContact O-N 2.7Å; T219-Q222 PolarHBondContact O-N 2.83Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.39Å; T219-Q222 PolarHBondContact OG1-N 3.33Å; T219-Q222 PolarHBondContact OG1-OE1 2.96Å; T219-I223 WeakPolarHBondContact O-CG1 3.49Å; T219-I223 PolarHBondContact O-N 3.39Å; T219-K265 VanDerWaalsContact CG2-NZ 3.34Å; T219-Y274 HydrophobicContact CG2-CD1 3.7Å; T219-Y274 HydrophobicContact CG2-CE1 3.66Å
220L96.1Very high94.9Very high43 Ų4356.7 Ų56.723%0.22528%0.284CS..Hα-helixtrans-54.8-34.5174.6-17962.2000112.9Y224 I250 R251 L254L220-Y224 HydrophobicContact CD1-CE1 3.83Å; L220-Y224 HydrophobicContact CD1-CE2 4.36Å; L220-Y224 HydrophobicContact CD2-CE2 4.38Å; L220-Y224 HydrophobicContact CG-CE1 4.29Å; L220-Y224 HydrophobicContact CG-CE2 3.91Å; L220-Y224 WeakPolarHBondContact O-CD2 3.45Å; L220-Y224 PolarHBondContact O-N 3.4Å; L220-I250 HydrophobicContact CD1-CG2 4.34Å; L220-R251 HydrophobicContact CD1-CG 4.05Å; L220-R251 HydrophobicContact CD2-CG 3.96Å; L220-L254 HydrophobicContact CD1-CD1 3.62Å
221Q94.8Very high94.7Very high95 Ų9558.1 Ų58.144%0.44429%0.289SS..Hα-helixtrans-70.1-47.7177.6-176.554.445.800111.6T219 I223 Y224 D225T219-Q221 PolarHBondContact O-N 2.7Å; Q221-I223 PolarHBondContact O-N 2.9Å; Q221-Y224 WeakPolarHBondContact O-CA 3.36Å; Q221-Y224 WeakPolarHBondContact O-CB 3.29Å; Q221-Y224 PolarHBondContact O-N 3.47Å; Q221-D225 WeakPolarHBondContact CG-OD2 3.5Å; Q221-D225 PolarHBondContact NE2-OD1 3.31Å; Q221-D225 PolarHBondContact NE2-OD2 2.85Å; Q221-D225 PolarHBondContact O-N 3.36Å; Q221-D225 VanDerWaalsContact O-OD2 3.11Å
222Q95.7Very high94.5Very high62 Ų6257.5 Ų57.529%0.2929%0.293SS..Hα-helixtrans-55.6-38.1173.9-79.9162.7-54.500112.5Y213 A218 T219 Y224 D225 F226Y213-Q222 HydrophobicContact CE1-CB 4.49Å; Y213-Q222 HydrophobicContact CE1-CG 4.31Å; Y213-Q222 HydrophobicContact CE2-CB 4.07Å; Y213-Q222 WeakPolarHBondContact OH-CB 3.25Å; Y213-Q222 PolarHBondContact OH-O 3.24Å; A218-Q222 HydrophobicContact CB-CB 4.22Å; T219-Q222 PolarHBondContact O-N 2.83Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.39Å; T219-Q222 PolarHBondContact OG1-N 3.33Å; T219-Q222 PolarHBondContact OG1-OE1 2.96Å; Q222-Y224 PolarHBondContact O-N 2.87Å; Q222-D225 PolarHBondContact O-N 3.06Å; Q222-F226 VanDerWaalsContact O-CB 3.27Å; Q222-F226 WeakPolarHBondContact O-CB 3.32Å; Q222-F226 PolarHBondContact O-N 2.98Å
223I96.8Very high94.3Very high0 Ų058.1 Ų58.10%029%0.286CS..Hα-helixtrans-64.4-38.4174.8-64.4167.2000111.4I206 A209 I210 A218 T219 Q221 I227 I250 L254 W275I206-I223 HydrophobicContact CG1-CG2 4.25Å; A209-I223 HydrophobicContact CB-CG2 4.46Å; I210-I223 HydrophobicContact CD1-CD1 4.34Å; I210-I223 HydrophobicContact CG1-CD1 4.2Å; I210-I223 HydrophobicContact CG1-CG1 4.46Å; A218-I223 HydrophobicContact CB-CD1 4.29Å; A218-I223 HydrophobicContact CB-CG1 3.8Å; T219-I223 WeakPolarHBondContact O-CG1 3.49Å; T219-I223 PolarHBondContact O-N 3.39Å; Q221-I223 PolarHBondContact O-N 2.9Å; I223-I227 HydrophobicContact CG2-CD1 4Å; I223-I227 VanDerWaalsContact O-CG1 3.27Å; I223-I227 WeakPolarHBondContact O-CG1 3.15Å; I223-I227 PolarHBondContact O-N 2.94Å; I223-I250 HydrophobicContact CG2-CG2 3.88Å; I223-L254 HydrophobicContact CD1-CD1 4.24Å; I223-L254 HydrophobicContact CD1-CD2 4.27Å; I223-W275 HydrophobicContact CD1-CB 4.22Å; I223-W275 HydrophobicContact CD1-CG 4.45Å
224Y96Very high94.1Very high14 Ų1455.4 Ų55.46%0.05528%0.276CS..Hα-helixtrans-65-46.8174.3-61.7-27.7000111.8L220 Q221 Q222 I227 I228 W246 K247 I250 R251L220-Y224 HydrophobicContact CD1-CE1 3.83Å; L220-Y224 HydrophobicContact CD1-CE2 4.36Å; L220-Y224 HydrophobicContact CD2-CE2 4.38Å; L220-Y224 HydrophobicContact CG-CE1 4.29Å; L220-Y224 HydrophobicContact CG-CE2 3.91Å; L220-Y224 WeakPolarHBondContact O-CD2 3.45Å; L220-Y224 PolarHBondContact O-N 3.4Å; Q221-Y224 WeakPolarHBondContact O-CA 3.36Å; Q221-Y224 WeakPolarHBondContact O-CB 3.29Å; Q221-Y224 PolarHBondContact O-N 3.47Å; Q222-Y224 PolarHBondContact O-N 2.87Å; Y224-I227 PolarHBondContact O-N 2.64Å; Y224-I228 VanDerWaalsContact O-CG1 3.29Å; Y224-I228 WeakPolarHBondContact O-CG1 3.47Å; Y224-I228 PolarHBondContact O-N 2.84Å; Y224-W246 HydrophobicContact CD1-CH2 4.26Å; Y224-W246 AromaticContact CD1-CZ3 3.9Å; Y224-W246 HydrophobicContact CD1-CZ3 3.9Å; Y224-W246 HydrophobicContact CG-CH2 4.45Å; Y224-K247 HydrophobicContact CD1-CB 4.42Å; Y224-K247 HydrophobicContact CD1-CG 3.87Å; Y224-K247 HydrophobicContact CD2-CD 4.06Å; Y224-K247 HydrophobicContact CD2-CG 4.24Å; Y224-K247 HydrophobicContact CE1-CB 3.77Å; Y224-K247 HydrophobicContact CE1-CG 3.73Å; Y224-K247 HydrophobicContact CE2-CB 4.31Å; Y224-K247 HydrophobicContact CE2-CD 4.04Å; Y224-K247 HydrophobicContact CE2-CG 4.12Å; Y224-K247 HydrophobicContact CG-CD 4.31Å; Y224-K247 HydrophobicContact CG-CG 4.11Å; Y224-K247 PolarHBondContact OH-O 3.21Å; Y224-K247 VanDerWaalsContact OH-O 3.08Å; Y224-I250 HydrophobicContact CD1-CG2 4.32Å; Y224-I250 HydrophobicContact CE1-CB 4.02Å; Y224-I250 HydrophobicContact CE1-CG2 3.9Å; Y224-R251 WeakPolarHBondContact OH-CG 3.48Å; Y224-R251 PolarHBondContact OH-NH1 3.33Å; Y224-R251 VanDerWaalsContact OH-NH1 3.12Å
225D95.1Very high93.8Very high71 Ų7155.3 Ų55.338%0.3826%0.26SS..Hα-helixtrans-69.5-36.2-176.4-57.8-36.3000111.8Q221 Q222 T229Q221-D225 WeakPolarHBondContact CG-OD2 3.5Å; Q221-D225 PolarHBondContact NE2-OD1 3.31Å; Q221-D225 PolarHBondContact NE2-OD2 2.85Å; Q221-D225 PolarHBondContact O-N 3.36Å; Q221-D225 VanDerWaalsContact O-OD2 3.11Å; Q222-D225 PolarHBondContact O-N 3.06Å; D225-T229 WeakPolarHBondContact O-CB 3.45Å; D225-T229 WeakPolarHBondContact O-CG2 3.27Å; D225-T229 PolarHBondContact O-N 3.46Å; D225-T229 PolarHBondContact O-OG1 3.3Å
226F96Very high93.4Very high8 Ų859 Ų594%0.03527%0.274CS..Hα-helixtrans-58.6-49.2170.2-176.8-84.6000111.8V208 A209 S212 Q222 I228 T229 H230 Y231V208-F226 HydrophobicContact CG1-CE1 4.03Å; V208-F226 HydrophobicContact CG1-CZ 3.83Å; A209-F226 HydrophobicContact CB-CB 4.02Å; A209-F226 HydrophobicContact CB-CD1 3.33Å; A209-F226 HydrophobicContact CB-CD2 4.38Å; A209-F226 HydrophobicContact CB-CE1 3.9Å; A209-F226 HydrophobicContact CB-CG 3.63Å; S212-F226 VanDerWaalsContact CB-CE2 3.43Å; S212-F226 VanDerWaalsContact OG-CD2 3.23Å; S212-F226 WeakPolarHBondContact OG-CD2 3.47Å; S212-F226 WeakPolarHBondContact OG-CE2 3.4Å; Q222-F226 VanDerWaalsContact O-CB 3.27Å; Q222-F226 WeakPolarHBondContact O-CB 3.32Å; Q222-F226 PolarHBondContact O-N 2.98Å; F226-I228 PolarHBondContact O-N 2.82Å; F226-T229 WeakPolarHBondContact CA-OG1 3.32Å; F226-T229 PolarHBondContact O-N 3.29Å; F226-T229 PolarHBondContact O-OG1 3.42Å; F226-H230 HydrophobicContact CD1-CB 4.48Å; F226-H230 AromaticContact CD2-CE1 3.47Å; F226-H230 VanDerWaalsContact CD2-CE1 3.47Å; F226-H230 WeakPolarHBondContact CD2-CE1 3.43Å; F226-H230 AromaticContact CD2-ND1 3.59Å; F226-H230 HydrophobicContact CE1-CB 4.06Å; F226-H230 AromaticContact CE1-CG 3.75Å; F226-H230 AromaticContact CE1-ND1 3.96Å; F226-H230 AromaticContact CE2-CD2 3.73Å; F226-H230 AromaticContact CE2-CE1 3.15Å; F226-H230 WeakPolarHBondContact CE2-CE1 3.21Å; F226-H230 AromaticContact CE2-CG 3.82Å; F226-H230 AromaticContact CE2-ND1 3.48Å; F226-H230 WeakPolarHBondContact CE2-ND1 3.4Å; F226-H230 AromaticContact CE2-NE2 3.32Å; F226-H230 VanDerWaalsContact CE2-NE2 3.32Å; F226-H230 WeakPolarHBondContact CE2-NE2 3.38Å; F226-H230 AromaticContact CG-ND1 3.87Å; F226-H230 HydrophobicContact CZ-CB 4.27Å; F226-H230 AromaticContact CZ-CD2 3.44Å; F226-H230 VanDerWaalsContact CZ-CD2 3.44Å; F226-H230 WeakPolarHBondContact CZ-CD2 3.44Å; F226-H230 AromaticContact CZ-CE1 3.69Å; F226-H230 AromaticContact CZ-CG 3.52Å; F226-H230 AromaticContact CZ-ND1 3.66Å; F226-H230 AromaticContact CZ-NE2 3.56Å; F226-H230 WeakPolarHBondContact O-CB 3.45Å; F226-H230 PolarHBondContact O-N 2.8Å; F226-H230 PolarHBondContact O-ND1 3.41Å; F226-Y231 HydrophobicContact CE1-CE2 4.32Å
227I95.6Very high93Very high0 Ų056.2 Ų56.20%026%0.26CS..Hα-helixtrans-66.1-40.5-176.6-69.7171.6000111.1L205 I223 Y224 Y231 F234 W246 I250L205-I227 HydrophobicContact CB-CD1 4.23Å; L205-I227 HydrophobicContact CB-CG1 4.41Å; I223-I227 HydrophobicContact CG2-CD1 4Å; I223-I227 VanDerWaalsContact O-CG1 3.27Å; I223-I227 WeakPolarHBondContact O-CG1 3.15Å; I223-I227 PolarHBondContact O-N 2.94Å; Y224-I227 PolarHBondContact O-N 2.64Å; I227-Y231 HydrophobicContact CG2-CD2 4.35Å; I227-Y231 WeakPolarHBondContact O-CB 3.45Å; I227-Y231 PolarHBondContact O-N 2.86Å; I227-F234 HydrophobicContact CG2-CB 4.31Å; I227-F234 HydrophobicContact CG2-CD1 4.25Å; I227-F234 HydrophobicContact CG2-CD2 3.67Å; I227-F234 HydrophobicContact CG2-CE1 4.5Å; I227-F234 HydrophobicContact CG2-CE2 3.94Å; I227-F234 HydrophobicContact CG2-CG 3.83Å; I227-F234 HydrophobicContact CG2-CZ 4.34Å; I227-W246 HydrophobicContact CB-CZ3 4.4Å; I227-W246 HydrophobicContact CG2-CZ3 4.17Å; I227-I250 HydrophobicContact CD1-CD1 3.5Å; I227-I250 VanDerWaalsContact CD1-CD1 3.5Å; I227-I250 HydrophobicContact CD1-CG1 4.08Å
228I93.9Very high92.4Very high28 Ų2857.7 Ų57.714%0.14427%0.273CS..Hα-helixtrans-63.4-42.1176.2-66.4164.8000111.3Y224 F226 F234 R235 W246Y224-I228 VanDerWaalsContact O-CG1 3.29Å; Y224-I228 WeakPolarHBondContact O-CG1 3.47Å; Y224-I228 PolarHBondContact O-N 2.84Å; F226-I228 PolarHBondContact O-N 2.82Å; I228-F234 HydrophobicContact CG1-CB 4.44Å; I228-R235 WeakPolarHBondContact O-CG 3.37Å; I228-W246 HydrophobicContact CD1-CH2 3.95Å; I228-W246 HydrophobicContact CD1-CZ2 3.84Å; I228-W246 HydrophobicContact CG1-CH2 3.74Å; I228-W246 HydrophobicContact CG1-CZ2 3.68Å
229T93.7Very high91.7Very high81 Ų8160.9 Ų60.950%0.49729%0.29SS..Hα-helixtrans-71.5-43.8-178.746.10000112.7D225 F226 R235D225-T229 WeakPolarHBondContact O-CB 3.45Å; D225-T229 WeakPolarHBondContact O-CG2 3.27Å; D225-T229 PolarHBondContact O-N 3.46Å; D225-T229 PolarHBondContact O-OG1 3.3Å; F226-T229 WeakPolarHBondContact CA-OG1 3.32Å; F226-T229 PolarHBondContact O-N 3.29Å; F226-T229 PolarHBondContact O-OG1 3.42Å; T229-R235 PolarHBondContact O-NE 2.97Å; T229-R235 PolarHBondContact O-NH2 2.78Å
230H93.5Very high90.9Very high114 Ų11465.4 Ų65.453%0.52832%0.32SS..Hα-helixtrans-83.9-33.6-172-71.167.4000114.3F226F226-H230 HydrophobicContact CD1-CB 4.48Å; F226-H230 AromaticContact CD2-CE1 3.47Å; F226-H230 VanDerWaalsContact CD2-CE1 3.47Å; F226-H230 WeakPolarHBondContact CD2-CE1 3.43Å; F226-H230 AromaticContact CD2-ND1 3.59Å; F226-H230 HydrophobicContact CE1-CB 4.06Å; F226-H230 AromaticContact CE1-CG 3.75Å; F226-H230 AromaticContact CE1-ND1 3.96Å; F226-H230 AromaticContact CE2-CD2 3.73Å; F226-H230 AromaticContact CE2-CE1 3.15Å; F226-H230 WeakPolarHBondContact CE2-CE1 3.21Å; F226-H230 AromaticContact CE2-CG 3.82Å; F226-H230 AromaticContact CE2-ND1 3.48Å; F226-H230 WeakPolarHBondContact CE2-ND1 3.4Å; F226-H230 AromaticContact CE2-NE2 3.32Å; F226-H230 VanDerWaalsContact CE2-NE2 3.32Å; F226-H230 WeakPolarHBondContact CE2-NE2 3.38Å; F226-H230 AromaticContact CG-ND1 3.87Å; F226-H230 HydrophobicContact CZ-CB 4.27Å; F226-H230 AromaticContact CZ-CD2 3.44Å; F226-H230 VanDerWaalsContact CZ-CD2 3.44Å; F226-H230 WeakPolarHBondContact CZ-CD2 3.44Å; F226-H230 AromaticContact CZ-CE1 3.69Å; F226-H230 AromaticContact CZ-CG 3.52Å; F226-H230 AromaticContact CZ-ND1 3.66Å; F226-H230 AromaticContact CZ-NE2 3.56Å; F226-H230 WeakPolarHBondContact O-CB 3.45Å; F226-H230 PolarHBondContact O-N 2.8Å; F226-H230 PolarHBondContact O-ND1 3.41Å
231Y92.9Very high90.2Very high31 Ų3168.9 Ų68.912%0.12234%0.343CS..  trans-113.8106.1-174-62.2-87.1000110.8W197 E200 L205 F226 I227 Y233 F234W197-Y231 HydrophobicContact CB-CD1 4.21Å; E200-Y231 VanDerWaalsContact OE2-CE1 3.25Å; E200-Y231 WeakPolarHBondContact OE2-CE1 3.44Å; E200-Y231 PolarHBondContact OE2-OH 3.43Å; L205-Y231 HydrophobicContact CB-CE2 4.27Å; L205-Y231 HydrophobicContact CD2-CD1 4.42Å; L205-Y231 HydrophobicContact CD2-CE1 3.72Å; L205-Y231 HydrophobicContact CD2-CE2 3.99Å; L205-Y231 VanDerWaalsContact CD2-CZ 3.46Å; L205-Y231 WeakPolarHBondContact CD2-OH 3.28Å; F226-Y231 HydrophobicContact CE1-CE2 4.32Å; I227-Y231 HydrophobicContact CG2-CD2 4.35Å; I227-Y231 WeakPolarHBondContact O-CB 3.45Å; I227-Y231 PolarHBondContact O-N 2.86Å; Y231-Y233 PolarHBondContact O-N 3.12Å; Y231-F234 PolarHBondContact O-N 3.06Å
232E90.8Very high89.5Confident136 Ų13668 Ų6864%0.63635%0.347SS*.G310 helixtrans-55.1-36-167.2-45.1-157.2114.700113.9F234 R235E232-F234 PolarHBondContact O-N 3.47Å; E232-R235 WeakPolarHBondContact O-CB 3.4Å; E232-R235 PolarHBondContact O-N 2.81Å; E232-R235 IonicContact OE1-CZ 3.6Å; E232-R235 IonicContact OE1-NH1 3.43Å; E232-R235 PolarHBondContact OE1-NH1 2.92Å; E232-R235 IonicContact OE1-NH2 3.8Å
233Y90Very high89Confident74 Ų7465.2 Ų65.229%0.2933%0.334SS..G310 helixtrans-51.6-25.6175.2179.3-99.1000115P196 W197 Y231 R237P196-Y233 HydrophobicContact CB-CD2 3.7Å; P196-Y233 HydrophobicContact CB-CE2 3.46Å; P196-Y233 VanDerWaalsContact CB-CE2 3.46Å; P196-Y233 HydrophobicContact CB-CG 4.36Å; P196-Y233 HydrophobicContact CG-CD1 4.21Å; P196-Y233 HydrophobicContact CG-CD2 3.87Å; P196-Y233 HydrophobicContact CG-CE1 3.72Å; P196-Y233 HydrophobicContact CG-CE2 3.32Å; P196-Y233 HydrophobicContact CG-CG 4.26Å; P196-Y233 WeakPolarHBondContact CG-OH 3.38Å; W197-Y233 AromaticContact CE3-CD1 3.67Å; W197-Y233 HydrophobicContact CE3-CD1 3.67Å; W197-Y233 AromaticContact CE3-CE1 3.75Å; W197-Y233 HydrophobicContact CE3-CE1 3.75Å; W197-Y233 HydrophobicContact CE3-CG 4.47Å; W197-Y233 HydrophobicContact CZ3-CD1 4.22Å; W197-Y233 AromaticContact CZ3-CE1 3.85Å; W197-Y233 HydrophobicContact CZ3-CE1 3.85Å; Y231-Y233 PolarHBondContact O-N 3.12Å; Y233-R237 VanDerWaalsContact O-CD 3.25Å; Y233-R237 WeakPolarHBondContact O-CD 3.48Å; Y233-R237 PolarHBondContact O-NE 3.03Å; Y233-R237 VanDerWaalsContact OH-CZ 3.25Å; Y233-R237 PolarHBondContact OH-NH1 3.36Å; Y233-R237 PolarHBondContact OH-NH2 3.03Å
234F91.4Very high88.5Confident1 Ų167.8 Ų67.80%0.00436%0.355CS..G310 helixtrans-96.3-10.2-179.6-61.5-86000113.7W197 Y202 L205 I227 I228 Y231 E232 R237 S238 W246W197-F234 HydrophobicContact CB-CE2 4.11Å; W197-F234 AromaticContact CD2-CE2 3.81Å; W197-F234 HydrophobicContact CD2-CE2 3.81Å; W197-F234 AromaticContact CD2-CZ 3.82Å; W197-F234 HydrophobicContact CD2-CZ 3.82Å; W197-F234 HydrophobicContact CE3-CE1 4.45Å; W197-F234 AromaticContact CE3-CE2 3.72Å; W197-F234 HydrophobicContact CE3-CE2 3.72Å; W197-F234 AromaticContact CE3-CZ 3.43Å; W197-F234 HydrophobicContact CE3-CZ 3.43Å; W197-F234 VanDerWaalsContact CE3-CZ 3.43Å; W197-F234 AromaticContact CG-CE2 4Å; W197-F234 HydrophobicContact CG-CE2 4Å; W197-F234 HydrophobicContact CG-CZ 4.48Å; W197-F234 HydrophobicContact CH2-CZ 4.27Å; W197-F234 HydrophobicContact CZ3-CE1 4.44Å; W197-F234 HydrophobicContact CZ3-CE2 4.43Å; W197-F234 AromaticContact CZ3-CZ 3.69Å; W197-F234 HydrophobicContact CZ3-CZ 3.69Å; Y202-F234 HydrophobicContact CE1-CZ 4.32Å; L205-F234 HydrophobicContact CD1-CE2 4.4Å; L205-F234 HydrophobicContact CD1-CZ 4.47Å; I227-F234 HydrophobicContact CG2-CB 4.31Å; I227-F234 HydrophobicContact CG2-CD1 4.25Å; I227-F234 HydrophobicContact CG2-CD2 3.67Å; I227-F234 HydrophobicContact CG2-CE1 4.5Å; I227-F234 HydrophobicContact CG2-CE2 3.94Å; I227-F234 HydrophobicContact CG2-CG 3.83Å; I227-F234 HydrophobicContact CG2-CZ 4.34Å; I228-F234 HydrophobicContact CG1-CB 4.44Å; Y231-F234 PolarHBondContact O-N 3.06Å; E232-F234 PolarHBondContact O-N 3.47Å; F234-R237 CarbonylContact O-C 3.55Å; F234-R237 WeakPolarHBondContact O-CA 3.42Å; F234-R237 PolarHBondContact O-N 3.31Å; F234-R237 VanDerWaalsContact O-N 3.08Å; F234-S238 PolarHBondContact O-N 3.13Å; F234-W246 HydrophobicContact CD1-CB 4.37Å; F234-W246 AromaticContact CD1-CD1 3.97Å; F234-W246 AromaticContact CD1-CD2 3.68Å; F234-W246 HydrophobicContact CD1-CD2 3.68Å; F234-W246 AromaticContact CD1-CE2 3.87Å; F234-W246 HydrophobicContact CD1-CE3 4.14Å; F234-W246 AromaticContact CD1-CG 3.79Å; F234-W246 HydrophobicContact CD1-CG 3.79Å; F234-W246 HydrophobicContact CD1-CZ2 4.48Å; F234-W246 AromaticContact CD1-NE1 3.99Å; F234-W246 HydrophobicContact CE1-CB 3.91Å; F234-W246 AromaticContact CE1-CD2 3.97Å; F234-W246 HydrophobicContact CE1-CD2 3.97Å; F234-W246 HydrophobicContact CE1-CE3 4.26Å; F234-W246 AromaticContact CE1-CG 3.83Å; F234-W246 HydrophobicContact CE1-CG 3.83Å
235R88.3Confident88.3Confident115 Ų11569.8 Ų69.843%0.43438%0.38SS..G310 helixtrans-61.6-50.1179.5-67.8178.9-176.6154.45111.9I228 T229 E232 R237 S238I228-R235 WeakPolarHBondContact O-CG 3.37Å; T229-R235 PolarHBondContact O-NE 2.97Å; T229-R235 PolarHBondContact O-NH2 2.78Å; E232-R235 WeakPolarHBondContact O-CB 3.4Å; E232-R235 PolarHBondContact O-N 2.81Å; E232-R235 IonicContact OE1-CZ 3.6Å; E232-R235 IonicContact OE1-NH1 3.43Å; E232-R235 PolarHBondContact OE1-NH1 2.92Å; E232-R235 IonicContact OE1-NH2 3.8Å; R235-R237 PolarHBondContact O-N 3.27Å; R235-S238 WeakPolarHBondContact O-CB 3.32Å; R235-S238 PolarHBondContact O-N 3.2Å; R235-S238 PolarHBondContact O-OG 3.02Å
236E82.4Confident88.2Confident172 Ų17267.1 Ų67.180%0.80437%0.365SS*.G310 helixtrans-65.9-14.8174.7-60.3174.3169.700113.1
237R84.2Confident88.1Confident97 Ų9768.6 Ų68.637%0.36637%0.371SS..G310 helixtrans-112.127.1-174.7-52.9176-173.5-114.4-12111.8Y233 F234 R235 S243 W246Y233-R237 VanDerWaalsContact O-CD 3.25Å; Y233-R237 WeakPolarHBondContact O-CD 3.48Å; Y233-R237 PolarHBondContact O-NE 3.03Å; Y233-R237 VanDerWaalsContact OH-CZ 3.25Å; Y233-R237 PolarHBondContact OH-NH1 3.36Å; Y233-R237 PolarHBondContact OH-NH2 3.03Å; F234-R237 CarbonylContact O-C 3.55Å; F234-R237 WeakPolarHBondContact O-CA 3.42Å; F234-R237 PolarHBondContact O-N 3.31Å; F234-R237 VanDerWaalsContact O-N 3.08Å; R235-R237 PolarHBondContact O-N 3.27Å; R237-S243 WeakPolarHBondContact O-CA 3.48Å; R237-S243 WeakPolarHBondContact O-CB 3.4Å; R237-W246 PolarHBondContact O-NE1 3.19Å
238S81.8Confident88.1Confident59 Ų5972.8 Ų72.841%0.41339%0.394SS..  trans-78.7-30.1177.447.90000112.6F234 R235F234-S238 PolarHBondContact O-N 3.13Å; R235-S238 WeakPolarHBondContact O-CB 3.32Å; R235-S238 PolarHBondContact O-N 3.2Å; R235-S238 PolarHBondContact O-OG 3.02Å
239D81.9Confident88.2Confident67 Ų6772.6 Ų72.636%0.35840%0.395SS..SBendtrans-41.8136.4174.6168.9-91.7000113.1T241 S242 S243D239-T241 VanDerWaalsContact C-N 3.27Å; D239-T241 PolarHBondContact O-N 3.31Å; D239-T241 WeakPolarHBondContact OD1-CA 3.49Å; D239-T241 WeakPolarHBondContact OD1-CB 3.27Å; D239-T241 PolarHBondContact OD1-N 2.96Å; D239-T241 PolarHBondContact OD1-OG1 2.77Å; D239-S242 PolarHBondContact O-N 2.99Å; D239-S242 PolarHBondContact OD1-N 3.45Å; D239-S242 PolarHBondContact OD1-OG 3.25Å; D239-S243 WeakPolarHBondContact O-CB 3.44Å; D239-S243 PolarHBondContact O-N 3.22Å; D239-S243 PolarHBondContact O-OG 3.36Å
240P79Confident88.3Confident106 Ų10668.7 Ų68.769%0.68837%0.371SS*.Hα-helixtrans-57.8-35.7-175.621.7-34.3000114S243P240-S243 PolarHBondContact O-OG 3.26Å
241T80.8Confident88.5Confident116 Ų11668.3 Ų68.371%0.71237%0.365SS*.Hα-helixtrans-73.6-52.4-179.9-37.20000110.6D239 S243D239-T241 VanDerWaalsContact C-N 3.27Å; D239-T241 PolarHBondContact O-N 3.31Å; D239-T241 WeakPolarHBondContact OD1-CA 3.49Å; D239-T241 WeakPolarHBondContact OD1-CB 3.27Å; D239-T241 PolarHBondContact OD1-N 2.96Å; D239-T241 PolarHBondContact OD1-OG1 2.77Å; T241-S243 VanDerWaalsContact C-N 3.32Å; T241-S243 PolarHBondContact O-N 2.83Å
242S79.1Confident88.7Confident76 Ų7671.6 Ų71.653%0.53138%0.381SS..Hα-helixtrans-71.4-27.2-176.2-57.80000113D239D239-S242 PolarHBondContact O-N 2.99Å; D239-S242 PolarHBondContact OD1-N 3.45Å; D239-S242 PolarHBondContact OD1-OG 3.25Å
243S84.9Confident88.9Confident3 Ų366 Ų662%0.02136%0.356CS..Hα-helixtrans-79-18.1-17865.20000114.4R237 D239 P240 T241 G245 W246 K247R237-S243 WeakPolarHBondContact O-CA 3.48Å; R237-S243 WeakPolarHBondContact O-CB 3.4Å; D239-S243 WeakPolarHBondContact O-CB 3.44Å; D239-S243 PolarHBondContact O-N 3.22Å; D239-S243 PolarHBondContact O-OG 3.36Å; P240-S243 PolarHBondContact O-OG 3.26Å; T241-S243 VanDerWaalsContact C-N 3.32Å; T241-S243 PolarHBondContact O-N 2.83Å; S243-G245 VanDerWaalsContact C-N 3.32Å; S243-G245 PolarHBondContact O-N 3.33Å; S243-W246 PolarHBondContact O-N 3.06Å; S243-K247 VanDerWaalsContact O-CB 3.28Å; S243-K247 WeakPolarHBondContact O-CB 3.11Å; S243-K247 VanDerWaalsContact O-CG 3.3Å; S243-K247 WeakPolarHBondContact O-CG 3.23Å; S243-K247 PolarHBondContact O-N 2.95Å; S243-K247 WeakPolarHBondContact OG-CE 3.2Å; S243-K247 PolarHBondContact OG-NZ 2.88Å
244A87.5Confident89.2Confident54 Ų5462.7 Ų62.745%0.44634%0.343SS..Hα-helixtrans-54.7-43.4-173.700000113.4N248A244-N248 WeakPolarHBondContact O-CB 3.45Å; A244-N248 PolarHBondContact O-N 3Å
245G90.7Very high89.4Confident56 Ų5667 Ų6758%0.57737%0.373SS*.Hα-helixtrans-63.5-50.2-177.700000113.6S243 N248 S249S243-G245 VanDerWaalsContact C-N 3.32Å; S243-G245 PolarHBondContact O-N 3.33Å; G245-N248 WeakPolarHBondContact O-CB 3.18Å; G245-N248 PolarHBondContact O-N 3.09Å; G245-S249 PolarHBondContact O-N 2.89Å
246W93.3Very high89.7Confident16 Ų1665.8 Ų65.86%0.06138%0.375CS..Hα-helixtrans-75.3-35.9-179.973.2-102.3000112.1Y224 I227 I228 F234 R237 S243 N248 S249 I250Y224-W246 HydrophobicContact CD1-CH2 4.26Å; Y224-W246 AromaticContact CD1-CZ3 3.9Å; Y224-W246 HydrophobicContact CD1-CZ3 3.9Å; Y224-W246 HydrophobicContact CG-CH2 4.45Å; I227-W246 HydrophobicContact CB-CZ3 4.4Å; I227-W246 HydrophobicContact CG2-CZ3 4.17Å; I228-W246 HydrophobicContact CD1-CH2 3.95Å; I228-W246 HydrophobicContact CD1-CZ2 3.84Å; I228-W246 HydrophobicContact CG1-CH2 3.74Å; I228-W246 HydrophobicContact CG1-CZ2 3.68Å; F234-W246 HydrophobicContact CD1-CB 4.37Å; F234-W246 AromaticContact CD1-CD1 3.97Å; F234-W246 AromaticContact CD1-CD2 3.68Å; F234-W246 HydrophobicContact CD1-CD2 3.68Å; F234-W246 AromaticContact CD1-CE2 3.87Å; F234-W246 HydrophobicContact CD1-CE3 4.14Å; F234-W246 AromaticContact CD1-CG 3.79Å; F234-W246 HydrophobicContact CD1-CG 3.79Å; F234-W246 HydrophobicContact CD1-CZ2 4.48Å; F234-W246 AromaticContact CD1-NE1 3.99Å; F234-W246 HydrophobicContact CE1-CB 3.91Å; F234-W246 AromaticContact CE1-CD2 3.97Å; F234-W246 HydrophobicContact CE1-CD2 3.97Å; F234-W246 HydrophobicContact CE1-CE3 4.26Å; F234-W246 AromaticContact CE1-CG 3.83Å; F234-W246 HydrophobicContact CE1-CG 3.83Å; R237-W246 PolarHBondContact O-NE1 3.19Å; S243-W246 PolarHBondContact O-N 3.06Å; W246-N248 PolarHBondContact O-N 3.48Å; W246-S249 WeakPolarHBondContact CA-OG 3.44Å; W246-S249 PolarHBondContact O-N 2.83Å; W246-S249 VanDerWaalsContact O-N 3.13Å; W246-S249 PolarHBondContact O-OG 3.08Å; W246-I250 HydrophobicContact CE3-CG1 4.03Å; W246-I250 HydrophobicContact CZ3-CG1 4.25Å; W246-I250 WeakPolarHBondContact O-CG1 3.13Å; W246-I250 PolarHBondContact O-N 3.09Å
247K95Very high90.2Very high38 Ų3859.2 Ų59.217%0.16534%0.344CS..Hα-helixtrans-60.9-30.1172.1-73178.3178159.90111.9Y224 S243 R251Y224-K247 HydrophobicContact CD1-CB 4.42Å; Y224-K247 HydrophobicContact CD1-CG 3.87Å; Y224-K247 HydrophobicContact CD2-CD 4.06Å; Y224-K247 HydrophobicContact CD2-CG 4.24Å; Y224-K247 HydrophobicContact CE1-CB 3.77Å; Y224-K247 HydrophobicContact CE1-CG 3.73Å; Y224-K247 HydrophobicContact CE2-CB 4.31Å; Y224-K247 HydrophobicContact CE2-CD 4.04Å; Y224-K247 HydrophobicContact CE2-CG 4.12Å; Y224-K247 HydrophobicContact CG-CD 4.31Å; Y224-K247 HydrophobicContact CG-CG 4.11Å; Y224-K247 PolarHBondContact OH-O 3.21Å; Y224-K247 VanDerWaalsContact OH-O 3.08Å; S243-K247 VanDerWaalsContact O-CB 3.28Å; S243-K247 WeakPolarHBondContact O-CB 3.11Å; S243-K247 VanDerWaalsContact O-CG 3.3Å; S243-K247 WeakPolarHBondContact O-CG 3.23Å; S243-K247 PolarHBondContact O-N 2.95Å; S243-K247 WeakPolarHBondContact OG-CE 3.2Å; S243-K247 PolarHBondContact OG-NZ 2.88Å; K247-R251 PolarHBondContact O-N 2.6Å
248N95.6Very high90.6Very high89 Ų8961 Ų6148%0.47636%0.361SS..Hα-helixtrans-71.3-43.2172.1-161.950.1000112.8A244 G245 W246 I250 R251 H252A244-N248 WeakPolarHBondContact O-CB 3.45Å; A244-N248 PolarHBondContact O-N 3Å; G245-N248 WeakPolarHBondContact O-CB 3.18Å; G245-N248 PolarHBondContact O-N 3.09Å; W246-N248 PolarHBondContact O-N 3.48Å; N248-I250 VanDerWaalsContact C-N 3.27Å; N248-I250 PolarHBondContact O-N 3.44Å; N248-R251 PolarHBondContact O-N 2.87Å; N248-R251 PolarHBondContact OD1-NH2 2.93Å; N248-H252 PolarHBondContact O-N 3.37Å
249S95.7Very high91.1Very high23 Ų2359.8 Ų59.816%0.16135%0.347CS..Hα-helixtrans-62.9-33.8175.756.30000112.4Y202 G245 W246 H252 N253Y202-S249 WeakPolarHBondContact CE2-OG 3.4Å; Y202-S249 PolarHBondContact OH-OG 2.88Å; G245-S249 PolarHBondContact O-N 2.89Å; W246-S249 WeakPolarHBondContact CA-OG 3.44Å; W246-S249 PolarHBondContact O-N 2.83Å; W246-S249 VanDerWaalsContact O-N 3.13Å; W246-S249 PolarHBondContact O-OG 3.08Å; S249-H252 PolarHBondContact O-N 3.08Å; S249-N253 PolarHBondContact O-N 2.95Å; S249-N253 PolarHBondContact O-ND2 3.08Å
250I96.2Very high91.8Very high0 Ų057.1 Ų57.10%033%0.332CS..Hα-helixtrans-61.8-49.6172.2-64.2-58.9000111.5Y202 I206 L220 I223 Y224 I227 W246 N248 H252 N253 L254Y202-I250 HydrophobicContact CD1-CD1 3.63Å; Y202-I250 HydrophobicContact CE1-CD1 4.34Å; Y202-I250 HydrophobicContact CG-CD1 4.33Å; I206-I250 HydrophobicContact CD1-CD1 4.04Å; I206-I250 HydrophobicContact CD1-CG2 4.14Å; I206-I250 HydrophobicContact CG1-CD1 3.99Å; I206-I250 HydrophobicContact CG1-CG2 4.26Å; L220-I250 HydrophobicContact CD1-CG2 4.34Å; I223-I250 HydrophobicContact CG2-CG2 3.88Å; Y224-I250 HydrophobicContact CD1-CG2 4.32Å; Y224-I250 HydrophobicContact CE1-CB 4.02Å; Y224-I250 HydrophobicContact CE1-CG2 3.9Å; I227-I250 HydrophobicContact CD1-CD1 3.5Å; I227-I250 VanDerWaalsContact CD1-CD1 3.5Å; I227-I250 HydrophobicContact CD1-CG1 4.08Å; W246-I250 HydrophobicContact CE3-CG1 4.03Å; W246-I250 HydrophobicContact CZ3-CG1 4.25Å; W246-I250 WeakPolarHBondContact O-CG1 3.13Å; W246-I250 PolarHBondContact O-N 3.09Å; N248-I250 VanDerWaalsContact C-N 3.27Å; N248-I250 PolarHBondContact O-N 3.44Å; I250-H252 VanDerWaalsContact C-N 3.32Å; I250-H252 PolarHBondContact O-N 3.28Å; I250-N253 PolarHBondContact O-N 3.48Å; I250-L254 HydrophobicContact CG2-CD1 4.08Å; I250-L254 WeakPolarHBondContact O-CG 3.43Å; I250-L254 PolarHBondContact O-N 3.25Å
251R96.9Very high92.5Very high106 Ų10654.4 Ų54.440%0.431%0.314SS..Hα-helixtrans-57.8-44.5176.4-69.2-175.6-58.2-103.47.5112L220 Y224 K247 N248 N253 L254 S255L220-R251 HydrophobicContact CD1-CG 4.05Å; L220-R251 HydrophobicContact CD2-CG 3.96Å; Y224-R251 WeakPolarHBondContact OH-CG 3.48Å; Y224-R251 PolarHBondContact OH-NH1 3.33Å; Y224-R251 VanDerWaalsContact OH-NH1 3.12Å; K247-R251 PolarHBondContact O-N 2.6Å; N248-R251 PolarHBondContact O-N 2.87Å; N248-R251 PolarHBondContact OD1-NH2 2.93Å; R251-N253 PolarHBondContact O-N 2.88Å; R251-L254 PolarHBondContact O-N 3.38Å; R251-S255 PolarHBondContact O-N 2.98Å; R251-S255 VanDerWaalsContact O-N 3.09Å; R251-S255 PolarHBondContact O-OG 2.95Å
252H96.1Very high93.2Very high99 Ų9955.6 Ų55.646%0.45831%0.309SS..Hα-helixtrans-59.1-44.3176.8170.564.3000112.6N248 S249 I250 S255 L256N248-H252 PolarHBondContact O-N 3.37Å; S249-H252 PolarHBondContact O-N 3.08Å; I250-H252 VanDerWaalsContact C-N 3.32Å; I250-H252 PolarHBondContact O-N 3.28Å; H252-S255 WeakPolarHBondContact CA-OG 3.35Å; H252-S255 PolarHBondContact O-N 3.49Å; H252-S255 PolarHBondContact O-OG 3.25Å; H252-L256 WeakPolarHBondContact CE1-CD1 3.19Å; H252-L256 WeakPolarHBondContact O-CB 3.46Å; H252-L256 PolarHBondContact O-N 3.24Å
253N97.1Very high93.8Very high20 Ų2052.6 Ų52.611%0.10729%0.288CS..Hα-helixtrans-69.2-33.4178.5-79.4-98.8000112.5S203 I206 S249 I250 R251 S255 L256 H257S203-N253 PolarHBondContact OG-OD1 3.18Å; S203-N253 VanDerWaalsContact OG-OD1 3.09Å; I206-N253 HydrophobicContact CD1-CB 3.78Å; S249-N253 PolarHBondContact O-N 2.95Å; S249-N253 PolarHBondContact O-ND2 3.08Å; I250-N253 PolarHBondContact O-N 3.48Å; R251-N253 PolarHBondContact O-N 2.88Å; N253-S255 VanDerWaalsContact C-N 3.31Å; N253-L256 PolarHBondContact O-N 3.05Å; N253-H257 PolarHBondContact O-N 2.88Å
254L96Very high93.9Very high3 Ų358 Ų582%0.01632%0.323CS..Hα-helixtrans-64.7-32.8171.9-72.4168.2000112.6I206 L220 I223 I250 R251 F260 W275I206-L254 HydrophobicContact CD1-CD2 4.44Å; I206-L254 HydrophobicContact CD1-CG 4.23Å; I206-L254 HydrophobicContact CG2-CD2 3.65Å; L220-L254 HydrophobicContact CD1-CD1 3.62Å; I223-L254 HydrophobicContact CD1-CD1 4.24Å; I223-L254 HydrophobicContact CD1-CD2 4.27Å; I250-L254 HydrophobicContact CG2-CD1 4.08Å; I250-L254 WeakPolarHBondContact O-CG 3.43Å; I250-L254 PolarHBondContact O-N 3.25Å; R251-L254 PolarHBondContact O-N 3.38Å; L254-F260 HydrophobicContact CD2-CB 4Å; L254-F260 HydrophobicContact CD2-CD1 4.45Å; L254-F260 HydrophobicContact CD2-CD2 4.23Å; L254-F260 HydrophobicContact CD2-CG 3.97Å; L254-W275 HydrophobicContact CB-CD2 4.36Å; L254-W275 HydrophobicContact CB-CE3 4.12Å; L254-W275 HydrophobicContact CB-CH2 3.94Å; L254-W275 HydrophobicContact CB-CZ2 4.2Å; L254-W275 HydrophobicContact CB-CZ3 3.89Å; L254-W275 HydrophobicContact CD1-CD2 4.18Å; L254-W275 HydrophobicContact CD1-CG 4.37Å; L254-W275 HydrophobicContact CD1-CZ2 4.42Å; L254-W275 HydrophobicContact CD2-CB 4.3Å; L254-W275 HydrophobicContact CD2-CD2 3.89Å; L254-W275 HydrophobicContact CD2-CE3 3.9Å; L254-W275 HydrophobicContact CD2-CG 4.07Å; L254-W275 HydrophobicContact CG-CD2 4.38Å; L254-W275 HydrophobicContact CG-CE3 4.47Å; L254-W275 WeakPolarHBondContact O-CZ3 3Å
255S94.7Very high93.7Very high91 Ų9157.3 Ų57.364%0.63631%0.31SS*.Hα-helixtrans-88.3-19.3176.454.90000115.3R251 H252 N253R251-S255 PolarHBondContact O-N 2.98Å; R251-S255 VanDerWaalsContact O-N 3.09Å; R251-S255 PolarHBondContact O-OG 2.95Å; H252-S255 WeakPolarHBondContact CA-OG 3.35Å; H252-S255 PolarHBondContact O-N 3.49Å; H252-S255 PolarHBondContact O-OG 3.25Å; N253-S255 VanDerWaalsContact C-N 3.31Å
256L93.8Very high93Very high90 Ų9061.3 Ų61.347%0.47133%0.329SS..Hα-helixtrans-93.3-20.4-173.8179.9146.4000113.4H252 N253H252-L256 WeakPolarHBondContact CE1-CD1 3.19Å; H252-L256 WeakPolarHBondContact O-CB 3.46Å; H252-L256 PolarHBondContact O-N 3.24Å; N253-L256 PolarHBondContact O-N 3.05Å
257H93.6Very high92.1Very high34 Ų3463.9 Ų63.916%0.15735%0.349CS..  trans-117.2114-175.3-71.3-55.8000112.1S203 N253 R259 F260 Y286S203-H257 PolarHBondContact OG-CD2 3.34Å; S203-H257 PolarHBondContact OG-NE2 3.38Å; N253-H257 PolarHBondContact O-N 2.88Å; H257-R259 HydrophobicContact CB-CB 4.47Å; H257-R259 PolarHBondContact O-N 3.4Å; H257-F260 HydrophobicContact CB-CD2 3.91Å; H257-F260 HydrophobicContact CB-CE2 4.05Å; H257-F260 PolarHBondContact O-N 2.88Å; H257-Y286 PolarHBondContact CE1-OH 2.93Å
258D92.6Very high90.8Very high134 Ų13470.1 Ų70.172%0.71739%0.385SS*.THydrogen-bonded Turntrans-57-9.9174.8-38.3-41.3000114.4F260D258-F260 PolarHBondContact O-N 3.33Å
259R93.7Very high89.4Confident34 Ų3473.4 Ų73.413%0.12840%0.402CS..THydrogen-bonded Turntrans-59.3-29.3165.6175.2-179.8-79.3-176-1.2112.3S207 H257 I277 N278 V281 Y286S207-R259 PolarHBondContact OG-NH1 3.17Å; H257-R259 HydrophobicContact CB-CB 4.47Å; H257-R259 PolarHBondContact O-N 3.4Å; R259-I277 HydrophobicContact CG-CG2 4.07Å; R259-I277 CarbonylContact O-C 3.32Å; R259-I277 WeakPolarHBondContact O-CA 3.46Å; R259-N278 PolarHBondContact O-N 3.27Å; R259-V281 HydrophobicContact CB-CG1 3.98Å; R259-Y286 VanDerWaalsContact NH2-CB 3.35Å
260F95.6Very high88.1Confident11 Ų1175 Ų755%0.04841%0.411CS..EExtended strand (participates in β ladder)trans-107.1114-176.5-53.5-58.2000110.6S203 I206 I210 L254 H257 D258 W275 R276 I277S203-F260 WeakPolarHBondContact O-CZ 3.46Å; I206-F260 HydrophobicContact CB-CE1 4.19Å; I206-F260 HydrophobicContact CB-CE2 4.46Å; I206-F260 HydrophobicContact CB-CZ 3.89Å; I206-F260 HydrophobicContact CG2-CD1 3.91Å; I206-F260 HydrophobicContact CG2-CE1 3.49Å; I206-F260 VanDerWaalsContact CG2-CE1 3.49Å; I206-F260 HydrophobicContact CG2-CE2 4.13Å; I206-F260 HydrophobicContact CG2-CG 4.41Å; I206-F260 HydrophobicContact CG2-CZ 3.61Å; I210-F260 HydrophobicContact CD1-CD1 3.96Å; I210-F260 HydrophobicContact CD1-CE1 4.29Å; L254-F260 HydrophobicContact CD2-CB 4Å; L254-F260 HydrophobicContact CD2-CD1 4.45Å; L254-F260 HydrophobicContact CD2-CD2 4.23Å; L254-F260 HydrophobicContact CD2-CG 3.97Å; H257-F260 HydrophobicContact CB-CD2 3.91Å; H257-F260 HydrophobicContact CB-CE2 4.05Å; H257-F260 PolarHBondContact O-N 2.88Å; D258-F260 PolarHBondContact O-N 3.33Å; F260-W275 HydrophobicContact CB-CE3 4.29Å; F260-R276 WeakPolarHBondContact CA-O 3.43Å; F260-I277 HydrophobicContact CD1-CG1 4.39Å; F260-I277 HydrophobicContact CE1-CG1 4.33Å
261T94.5Very high87.1Confident50 Ų5085.4 Ų85.431%0.30746%0.456SS..EExtended strand (participates in β ladder)trans-100129.6177.243.10000110.3W275 R276 N278T261-W275 WeakPolarHBondContact O-CA 2.98Å; T261-R276 PolarHBondContact N-O 3.4Å; T261-R276 PolarHBondContact O-N 2.85Å; T261-R276 PolarHBondContact OG1-O 3.17Å; T261-N278 HydrophobicContact CG2-CB 4.01Å
262K94.6Very high86.5Confident140 Ų14082.3 Ų82.361%0.60945%0.451SS*.EExtended strand (participates in β ladder)trans-77.1122.8169.6-177.2-170.4174.7-168.10108.1S273 W275K262-S273 WeakPolarHBondContact CE-OG 3.36Å; K262-W275 HydrophobicContact CB-CE3 4.12Å; K262-W275 HydrophobicContact CB-CH2 4Å; K262-W275 HydrophobicContact CB-CZ2 4.43Å; K262-W275 HydrophobicContact CB-CZ3 3.83Å; K262-W275 HydrophobicContact CG-CH2 4.45Å; K262-W275 HydrophobicContact CG-CZ2 4.44Å
263C91.1Very high86.4Confident13 Ų1379.2 Ų79.29%0.08844%0.441CS..EExtended strand (participates in β ladder)trans-113.7136.9179.6-61.70000110.6S273 Y274 R276C263-S273 WeakPolarHBondContact O-CB 3.38Å; C263-Y274 PolarHBondContact N-O 2.89Å; C263-Y274 PolarHBondContact O-N 3.48Å; C263-Y274 VanDerWaalsContact O-N 3.09Å; C263-R276 PolarHBondContact SG-NE 3.25Å
264P87.2Confident86.3Confident116 Ų11681.4 Ų81.475%0.75345%0.448SS*.  trans-53.8158.8169.6-2534.9000112.1
265K83.3Confident86.3Confident41 Ų4183.3 Ų83.318%0.17846%0.455CS..  trans-98.9146.9162.6-80.8-174.2169.2165.80108.2T219 S267 T270 S272 Y274T219-K265 VanDerWaalsContact CG2-NZ 3.34Å; K265-S267 PolarHBondContact O-N 3.28Å; K265-T270 HydrophobicContact CD-CG2 3.39Å; K265-S272 WeakPolarHBondContact CD-O 3.45Å; K265-S272 WeakPolarHBondContact CE-O 3.1Å; K265-S272 PolarHBondContact NZ-O 3.09Å; K265-S272 PolarHBondContact NZ-OG 3.37Å; K265-Y274 HydrophobicContact CD-CD2 4.48Å; K265-Y274 HydrophobicContact CD-CE2 4.18Å; K265-Y274 VanDerWaalsContact CE-CZ 3.42Å; K265-Y274 HydrophobicContact CG-CD2 3.65Å; K265-Y274 HydrophobicContact CG-CE2 3.63Å; K265-Y274 HydrophobicContact CG-CG 4.32Å
266S76.3Confident86.3Confident140 Ų14084.2 Ų84.298%0.97944%0.444SS*.SBendtrans-68.223.6175.3-163.90000114.3
267S75.5Confident86.4Confident69 Ų6981.5 Ų81.548%0.48343%0.43SS..SBendtrans-149.1103.7177.71760000106.9K265 N269 T270K265-S267 PolarHBondContact O-N 3.28Å; S267-N269 PolarHBondContact O-N 3.47Å; S267-T270 WeakPolarHBondContact O-CB 3.49Å; S267-T270 PolarHBondContact O-N 3.21Å; S267-T270 VanDerWaalsContact O-N 3.1Å; S267-T270 PolarHBondContact O-OG1 3.01Å
268D66.7Low86.3Confident169 Ų16981.2 Ų81.290%0.90443%0.43SS*.THydrogen-bonded Turntrans-63.6-20.6-161.8-55.4-68.8000114.1T270D268-T270 VanDerWaalsContact C-N 3.34Å; D268-T270 PolarHBondContact O-N 2.92Å
269N65.5Low86.1Confident159 Ų15979.2 Ų79.285%0.8542%0.424SS*.THydrogen-bonded Turntrans-90.113179.6-158.75.5000113.9S267 K271S267-N269 PolarHBondContact O-N 3.47Å; N269-K271 PolarHBondContact O-N 3.38Å
270T68.7Low85.6Confident56 Ų5682.4 Ų82.434%0.34444%0.443SS..  trans-88.2107.3-175.1-48.80000113.2K265 S267 D268 S272K265-T270 HydrophobicContact CD-CG2 3.39Å; S267-T270 WeakPolarHBondContact O-CB 3.49Å; S267-T270 PolarHBondContact O-N 3.21Å; S267-T270 VanDerWaalsContact O-N 3.1Å; S267-T270 PolarHBondContact O-OG1 3.01Å; D268-T270 VanDerWaalsContact C-N 3.34Å; D268-T270 PolarHBondContact O-N 2.92Å; T270-S272 PolarHBondContact O-N 3.12Å
271K75.6Confident84.8Confident219 Ų21984.1 Ų84.195%0.95246%0.455SS*.SBendtrans-42.1-15176.9-176173.5179.3176.70118.1N269N269-K271 PolarHBondContact O-N 3.38Å
272S85.3Confident83.5Confident41 Ų4183.7 Ų83.729%0.28746%0.456SS..SBendtrans-135.9114.5-179.660.90000112.4K265 T270K265-S272 WeakPolarHBondContact CD-O 3.45Å; K265-S272 WeakPolarHBondContact CE-O 3.1Å; K265-S272 PolarHBondContact NZ-O 3.09Å; K265-S272 PolarHBondContact NZ-OG 3.37Å; T270-S272 PolarHBondContact O-N 3.12Å
273S93.3Very high82.1Confident34 Ų3481.1 Ų81.124%0.23846%0.461CS..  trans-64.7159.5170.2-49.90000112.1K262 C263K262-S273 WeakPolarHBondContact CE-OG 3.36Å; C263-S273 WeakPolarHBondContact O-CB 3.38Å
274Y94.6Very high81Confident66 Ų6687.1 Ų87.126%0.25949%0.486SS..EExtended strand (participates in β ladder)trans-81.3154.1166.1-71.3-54.5000110.7Q217 T219 C263 K265Q217-Y274 HydrophobicContact CG-CD1 3.97Å; Q217-Y274 HydrophobicContact CG-CD2 4.33Å; Q217-Y274 HydrophobicContact CG-CE1 4.34Å; Q217-Y274 HydrophobicContact CG-CG 3.99Å; T219-Y274 HydrophobicContact CG2-CD1 3.7Å; T219-Y274 HydrophobicContact CG2-CE1 3.66Å; C263-Y274 PolarHBondContact N-O 2.89Å; C263-Y274 PolarHBondContact O-N 3.48Å; C263-Y274 VanDerWaalsContact O-N 3.09Å; K265-Y274 HydrophobicContact CD-CD2 4.48Å; K265-Y274 HydrophobicContact CD-CE2 4.18Å; K265-Y274 VanDerWaalsContact CE-CZ 3.42Å; K265-Y274 HydrophobicContact CG-CD2 3.65Å; K265-Y274 HydrophobicContact CG-CE2 3.63Å; K265-Y274 HydrophobicContact CG-CG 4.32Å
275W96.1Very high80Confident43 Ų4387.1 Ų87.116%0.16349%0.486CS..EExtended strand (participates in β ladder)trans-118.2127.8168.5-65.791.5000108.6I210 Q217 A218 I223 L254 F260 T261 K262I210-W275 HydrophobicContact CD1-CB 4.22Å; Q217-W275 WeakPolarHBondContact CA-O 3.14Å; A218-W275 PolarHBondContact N-O 3.43Å; A218-W275 PolarHBondContact O-N 3.23Å; I223-W275 HydrophobicContact CD1-CB 4.22Å; I223-W275 HydrophobicContact CD1-CG 4.45Å; L254-W275 HydrophobicContact CB-CD2 4.36Å; L254-W275 HydrophobicContact CB-CE3 4.12Å; L254-W275 HydrophobicContact CB-CH2 3.94Å; L254-W275 HydrophobicContact CB-CZ2 4.2Å; L254-W275 HydrophobicContact CB-CZ3 3.89Å; L254-W275 HydrophobicContact CD1-CD2 4.18Å; L254-W275 HydrophobicContact CD1-CG 4.37Å; L254-W275 HydrophobicContact CD1-CZ2 4.42Å; L254-W275 HydrophobicContact CD2-CB 4.3Å; L254-W275 HydrophobicContact CD2-CD2 3.89Å; L254-W275 HydrophobicContact CD2-CE3 3.9Å; L254-W275 HydrophobicContact CD2-CG 4.07Å; L254-W275 HydrophobicContact CG-CD2 4.38Å; L254-W275 HydrophobicContact CG-CE3 4.47Å; L254-W275 WeakPolarHBondContact O-CZ3 3Å; F260-W275 HydrophobicContact CB-CE3 4.29Å; T261-W275 WeakPolarHBondContact O-CA 2.98Å; K262-W275 HydrophobicContact CB-CE3 4.12Å; K262-W275 HydrophobicContact CB-CH2 4Å; K262-W275 HydrophobicContact CB-CZ2 4.43Å; K262-W275 HydrophobicContact CB-CZ3 3.83Å; K262-W275 HydrophobicContact CG-CH2 4.45Å; K262-W275 HydrophobicContact CG-CZ2 4.44Å
276R95.1Very high79.1Confident110 Ų11091 Ų9142%0.41550%0.5SS..EExtended strand (participates in β ladder)trans-115.5157.6175.6-72.1-165.1-79.8-140.816.3110.2Q217 F260 T261 C263Q217-R276 HydrophobicContact CB-CG 3.39Å; F260-R276 WeakPolarHBondContact CA-O 3.43Å; T261-R276 PolarHBondContact N-O 3.4Å; T261-R276 PolarHBondContact O-N 2.85Å; T261-R276 PolarHBondContact OG1-O 3.17Å; C263-R276 PolarHBondContact SG-NE 3.25Å
277I95Very high78.7Confident32 Ų3290.1 Ų90.116%0.16449%0.488CS..EExtended strand (participates in β ladder)trans-84.9123.1166.1-64.3170.2000107.1I210 R211 R259 F260 A282I210-I277 HydrophobicContact CB-CD1 4.08Å; I210-I277 HydrophobicContact CB-CG1 4.06Å; I210-I277 HydrophobicContact CD1-CG1 4.17Å; I210-I277 HydrophobicContact CG2-CD1 4.16Å; I210-I277 HydrophobicContact CG2-CG1 3.88Å; R211-I277 HydrophobicContact CG-CD1 3.89Å; R259-I277 HydrophobicContact CG-CG2 4.07Å; R259-I277 CarbonylContact O-C 3.32Å; R259-I277 WeakPolarHBondContact O-CA 3.46Å; F260-I277 HydrophobicContact CD1-CG1 4.39Å; F260-I277 HydrophobicContact CE1-CG1 4.33Å; I277-A282 HydrophobicContact CG2-CB 3.73Å
278N91.9Very high78.3Confident29 Ų2995.1 Ų95.116%0.15550%0.496CS..  trans-63.7120.7174.1-179.1-30000109.7R259 T261 D280 V281 A282R259-N278 PolarHBondContact O-N 3.27Å; T261-N278 HydrophobicContact CG2-CB 4.01Å; N278-D280 PolarHBondContact O-N 3.29Å; N278-D280 VanDerWaalsContact OD1-CB 3.32Å; N278-D280 WeakPolarHBondContact OD1-CB 3.39Å; N278-D280 PolarHBondContact OD1-N 3.29Å; N278-D280 PolarHBondContact OD1-OD2 3.39Å; N278-V281 HydrophobicContact CB-CB 4.26Å; N278-V281 HydrophobicContact CB-CG2 4.22Å; N278-V281 PolarHBondContact O-N 3.19Å; N278-V281 PolarHBondContact OD1-N 2.64Å; N278-A282 VanDerWaalsContact O-CB 3.27Å; N278-A282 WeakPolarHBondContact O-CB 3.41Å; N278-A282 PolarHBondContact O-N 3.42Å
279P88.3Confident78.3Confident92 Ų9298.1 Ų98.160%0.59750%0.495SS*.Hα-helixtrans-62.6-40.5-179.525.6-33.2000112.7V281 A282 A283P279-V281 PolarHBondContact O-N 2.81Å; P279-A282 PolarHBondContact O-N 3.12Å; P279-A283 PolarHBondContact O-N 3.5Å
280D83Confident78.3Confident101 Ų101101.6 Ų101.654%0.5450%0.496SS..Hα-helixtrans-63.5-29.6-176.4-40.5-33.3000112.7N278 K284N278-D280 PolarHBondContact O-N 3.29Å; N278-D280 VanDerWaalsContact OD1-CB 3.32Å; N278-D280 WeakPolarHBondContact OD1-CB 3.39Å; N278-D280 PolarHBondContact OD1-N 3.29Å; N278-D280 PolarHBondContact OD1-OD2 3.39Å; D280-K284 VanDerWaalsContact O-CD 3.27Å; D280-K284 WeakPolarHBondContact O-CD 3.41Å; D280-K284 WeakPolarHBondContact O-CE 3.27Å; D280-K284 PolarHBondContact O-NZ 2.88Å
281V78.5Confident78.3Confident47 Ų47103.6 Ų103.629%0.28552%0.519SS..Hα-helixtrans-93.7-23.8177.7-175.70000111.1R259 N278 P279R259-V281 HydrophobicContact CB-CG1 3.98Å; N278-V281 HydrophobicContact CB-CB 4.26Å; N278-V281 HydrophobicContact CB-CG2 4.22Å; N278-V281 PolarHBondContact O-N 3.19Å; N278-V281 PolarHBondContact OD1-N 2.64Å; P279-V281 PolarHBondContact O-N 2.81Å
282A68.2Low77.4Confident40 Ų4099 Ų9933%0.33151%0.513SS..Hα-helixtrans-79-33.1175.900000113.4I277 N278 P279 K284I277-A282 HydrophobicContact CG2-CB 3.73Å; N278-A282 VanDerWaalsContact O-CB 3.27Å; N278-A282 WeakPolarHBondContact O-CB 3.41Å; N278-A282 PolarHBondContact O-N 3.42Å; P279-A282 PolarHBondContact O-N 3.12Å; A282-K284 VanDerWaalsContact C-N 3.25Å; A282-K284 PolarHBondContact O-N 2.97Å
283A64.5Low76.5Confident86 Ų86101.8 Ų101.871%0.71153%0.532SS*.SBendtrans-66.9-27.3174.300000112.6P279P279-A283 PolarHBondContact O-N 3.5Å
284K68.6Low75.2Confident140 Ų140108 Ų10861%0.60956%0.559SS**SBendtrans-82.3125.3178.2-68.8167.7-171.8156.40109.9D280 A282 Y286D280-K284 VanDerWaalsContact O-CD 3.27Å; D280-K284 WeakPolarHBondContact O-CD 3.41Å; D280-K284 WeakPolarHBondContact O-CE 3.27Å; D280-K284 PolarHBondContact O-NZ 2.88Å; A282-K284 VanDerWaalsContact C-N 3.25Å; A282-K284 PolarHBondContact O-N 2.97Å; K284-Y286 PolarHBondContact O-N 2.9Å; K284-Y286 VanDerWaalsContact O-N 3.12Å
285P65.9Low73.4Confident116 Ų116110.4 Ų110.475%0.75358%0.577SS**  trans-55.7121173.5-2635000110.6V287P285-V287 VanDerWaalsContact C-N 3.27Å; P285-V287 PolarHBondContact O-N 2.81Å
286Y65Low71.9Confident123 Ų123114 Ų11448%0.48260%0.603SS.*  trans-73.483.4179.7176.9-106.3000110.3H257 R259 K284 R288H257-Y286 PolarHBondContact CE1-OH 2.93Å; R259-Y286 VanDerWaalsContact NH2-CB 3.35Å; K284-Y286 PolarHBondContact O-N 2.9Å; K284-Y286 VanDerWaalsContact O-N 3.12Å; Y286-R288 HydrophobicContact CE1-CB 4.19Å; Y286-R288 PolarHBondContact O-N 3.39Å
287V67.3Low70.3Confident121 Ų121114.2 Ų114.273%0.73362%0.617SS**  trans-68.696.3172.7-177.70000107.9P285 R289P285-V287 VanDerWaalsContact C-N 3.27Å; P285-V287 PolarHBondContact O-N 2.81Å; V287-R289 PolarHBondContact O-N 2.97Å
288R66.5Low68.1Low173 Ų173119.6 Ų119.665%0.65365%0.646SS**  trans-59.896.4173.1-176.2179.9-173.3154.63.7109.4Y286 R290Y286-R288 HydrophobicContact CE1-CB 4.19Å; Y286-R288 PolarHBondContact O-N 3.39Å; R288-R290 PolarHBondContact O-N 3.21Å; R288-R290 VanDerWaalsContact O-N 3.08Å
289R66.7Low66.2Low232 Ų232124.9 Ų124.988%0.87567%0.674SS**PPolyproline II helixtrans-51.2118169.5-70.3-168.5-75.2166.5-5.7108V287 A291V287-R289 PolarHBondContact O-N 2.97Å; R289-A291 PolarHBondContact O-N 3.28Å
290R66.1Low64.1Low233 Ų233129.1 Ų129.188%0.87968%0.683SS**PPolyproline II helixtrans-67.8131.1172.7-56.9-176.1-165.8119.51.9106.8R288 C292R288-R290 PolarHBondContact O-N 3.21Å; R288-R290 VanDerWaalsContact O-N 3.08Å; R290-C292 PolarHBondContact O-N 3.28Å
291A69.3Low62.6Low98 Ų98135.8 Ų135.881%0.8170%0.7SS**PPolyproline II helixtrans-61.7126.8165.400000107.8R289 S293R289-A291 PolarHBondContact O-N 3.28Å; A291-S293 PolarHBondContact O-N 2.77Å
292C57.1Low61Low122 Ų122138.2 Ų138.282%0.82472%0.717SS**PPolyproline II helixtrans-64.5123.1176.7-64.10000109R290 M294R290-C292 PolarHBondContact O-N 3.28Å; C292-M294 PolarHBondContact O-N 2.73Å
293S65.9Low59.8Low99 Ų99139.6 Ų139.669%0.69274%0.735SS**PPolyproline II helixtrans-63.1120.5169.1-175.70000108A291 D295A291-S293 PolarHBondContact O-N 2.77Å; S293-D295 PolarHBondContact O-N 3.5Å; S293-D295 VanDerWaalsContact O-N 3.13Å
294M65.1Low58.6Low166 Ų166142.1 Ų142.182%0.81875%0.748SS**  trans-74.1101167.2-75.5-173.474.200108.2C292 T296C292-M294 PolarHBondContact O-N 2.73Å; M294-T296 PolarHBondContact O-N 2.79Å
295D56.9Low57.3Low116 Ų116138.5 Ų138.562%0.6275%0.75SS**  trans-67.698173.6-72.6-44.2000110.2S293 T297S293-D295 PolarHBondContact O-N 3.5Å; S293-D295 VanDerWaalsContact O-N 3.13Å; D295-T297 PolarHBondContact O-N 3Å
296T65.7Low56.4Low118 Ų118140.4 Ų140.472%0.72475%0.754SS**G310 helixtrans-66.2-4.3-179.550.40000113.7M294 N298 L299M294-T296 PolarHBondContact O-N 2.79Å; T296-N298 VanDerWaalsContact C-N 3.31Å; T296-N298 PolarHBondContact O-N 3.17Å; T296-L299 PolarHBondContact O-N 3.45Å
297T60.1Low55.3Low114 Ų114146.2 Ų146.270%0.69978%0.777SS**G310 helixtrans-72.4-16.1-176.150.80000114.6D295D295-T297 PolarHBondContact O-N 3Å
298N50.2Low54.1Low145 Ų145143.1 Ų143.178%0.77577%0.769SS**G310 helixtrans-100.40.5174.2-80-58.1000114.7T296 K300T296-N298 VanDerWaalsContact C-N 3.31Å; T296-N298 PolarHBondContact O-N 3.17Å; N298-K300 PolarHBondContact O-N 2.85Å
299L51.6Low52.9Low141 Ų141143.8 Ų143.874%0.73878%0.777SS**  trans-77.161.2165.6-105.374.4000110.9T296 R301T296-L299 PolarHBondContact O-N 3.45Å; L299-R301 PolarHBondContact O-N 2.97Å
300K44.9Very low52Low181 Ų181140 Ų14079%0.78777%0.773SS**  trans-65106.3166.7-138.9-172.2-179.9178.60107N298 P302N298-K300 PolarHBondContact O-N 2.85Å; K300-P302 HydrophobicContact CB-CG 4.47Å; K300-P302 HydrophobicContact CD-CG 4.01Å; K300-P302 HydrophobicContact CG-CG 3.98Å; K300-P302 WeakPolarHBondContact O-CD 3.32Å
301R50.9Low50.9Low241 Ų241135.1 Ų135.191%0.90976%0.764SS**  trans-92.885.4158.9-71.2-172.2177-1551110.8L299L299-R301 PolarHBondContact O-N 2.97Å
302P45Very low49.8Very low98 Ų98138 Ų13864%0.63677%0.765SS**  trans-119.8124.715637.1-25.7000109.5K300K300-P302 HydrophobicContact CB-CG 4.47Å; K300-P302 HydrophobicContact CD-CG 4.01Å; K300-P302 HydrophobicContact CG-CG 3.98Å; K300-P302 WeakPolarHBondContact O-CD 3.32Å
303G42Very low49.1Very low68 Ų68143.2 Ų143.270%0.70177%0.768SS**  cis178.6177.5-3.100000108.6G305G303-G305 PolarHBondContact O-N 3.41Å
304S38.9Very low48.1Very low140 Ų140144 Ų14498%0.97977%0.773SS**  trans-63.3119.5166.3-170.80000108.6
305G42.6Very low46.9Very low64 Ų64140.2 Ų140.266%0.6678%0.777SS**  trans-160.2113.9-172.800000111.1G303G303-G305 PolarHBondContact O-N 3.41Å
306N46.5Very low46Very low156 Ų156138.5 Ų138.583%0.83479%0.786SS**  trans-52.2142.4-172-71.1-12.2000114.4G308N306-G308 PolarHBondContact O-N 2.8Å
307Y42.4Very low44.8Very low245 Ų245136.4 Ų136.496%0.96179%0.789SS**  trans-65.781.1151.9-86.1-90.9000109.7
308G42.5Very low44.2Very low56 Ų56137.5 Ų137.558%0.57780%0.795SS**  trans-72.4124.9174.800000111.6N306 I310N306-G308 PolarHBondContact O-N 2.8Å; G308-I310 PolarHBondContact O-N 2.87Å
309K40.4Very low44Very low187 Ų187134.8 Ų134.881%0.81379%0.787SS**  trans-56.1126.1170.7-80175.5176.7170.20111.1
310I48.1Very low43.7Very low153 Ų153135.4 Ų135.479%0.78579%0.786SS**  trans-108.783.4169.1-45.1176.5000108.7G308 N312G308-I310 PolarHBondContact O-N 2.87Å; I310-N312 PolarHBondContact O-N 3.46Å
311N43.3Very low43.5Very low129 Ų129136.1 Ų136.169%0.6978%0.784SS**  trans-93.570.5-177.2-72.730.9000111.6R313N311-R313 PolarHBondContact O-N 3.06Å
312N44.9Very low43.1Very low159 Ų159130.5 Ų130.585%0.8578%0.776SS**  trans-78114174-979.6000111.7I310I310-N312 PolarHBondContact O-N 3.46Å
313R43.9Very low43Very low231 Ų231132.1 Ų132.187%0.87278%0.784SS**  trans-75.9147.3169.8-59169.9174.5168.3-3.9110.2N311N311-R313 PolarHBondContact O-N 3.06Å
314S44.7Very low42.9Very low116 Ų116133.4 Ų133.481%0.81178%0.783SS**  144.9119.2119.1-62.90000113.4
315G39.4Very low43.3Very low87 Ų87131.5 Ų131.590%0.89777%0.769SS**  trans76142.8164.100000116.6
316G38Very low43.3Very low79 Ų79135.2 Ų135.281%0.81477%0.774SS**  cis166.1113.5-10.200000113.6
317G40.1Very low43Very low75 Ų75135.2 Ų135.277%0.77377%0.773SS**  trans77162.7175.400000114.9
318V47.6Very low42.9Very low137 Ų137129.9 Ų129.983%0.8377%0.768SS**  cis-138.2152.9-8.2175.30000109.3
319S47.1Very low42.5Very low87 Ų87130.7 Ų130.761%0.60878%0.777SS**  trans-34.4168.9165.6-38.60000116.8
320H44.4Very low42.5Very low154 Ų154130.7 Ų130.771%0.71378%0.779SS**  cis-154.3176.424.3-86.3-77.6000109
321R41.6Very low41.8Very low196 Ų196134.6 Ų134.674%0.7478%0.784SS**  cis169.5139.1-29.3-176.9-157-95.1-167.5-5.2106
322T40.9Very low41.6Very low123 Ų123135.9 Ų135.976%0.75579%0.789SS**  trans65.3161165.326.70000116.7
323V43.3Very low41.1Very low133 Ų133136 Ų13681%0.80678%0.784SS**  cis-127.3157.18.2-175.30000112.1
324S41.1Very low40.6Very low95 Ų95130.8 Ų130.866%0.66478%0.778SS**  trans-57.5169.3-179-38.10000119.9
325S45.7Very low40.5Very low100 Ų100130.9 Ų130.970%0.69978%0.776SS**  trans75.4143.4141.5740000118.2
326N42.6Very low40.2Very low141 Ų141132.6 Ų132.675%0.75477%0.774SS**  cis-144.4161.519.7-96.6-53.4000114.4
327L42.1Very low40.4Very low156 Ų156133.2 Ų133.282%0.81777%0.771SS**  trans38.1134.1155.7-91.760.7000122.3
328P39.2Very low40Very low133 Ų133137 Ų13786%0.86477%0.774SS**  trans-91.3155.8171.237.9-34.1000113.1
329G34Very low39.8Very low73 Ų73135.7 Ų135.775%0.75377%0.771SS**  trans145.986.2160.800000115.3
330H39.7Very low39Very low188 Ų188139.4 Ų139.487%0.8778%0.784SS**  trans-148136.2158.2-128.1-80.8000112.9
331R35Very low38.8Very low234 Ų234138.3 Ų138.388%0.88379%0.788SS**  trans-69.2136.8162.4-75.9175.2168.8172.7-5109
332I37.4Very low38.5Very low156 Ų156135.4 Ų135.480%0.879%0.792SS**  trans-117.795.3156.4-61.7175.5000103.1
333H35.8Very low38.2Very low162 Ų162139.1 Ų139.175%0.7580%0.798SS**  58.4109.771.5-156.8-44000112.1P335H333-P335 WeakPolarHBondContact O-CD 3.34Å
334V33.2Very low37.7Very low122 Ų122138.2 Ų138.274%0.73980%0.795SS**PPolyproline II helixtrans-67.1129.2175.4-178.20000109.9
335P42.7Very low37.4Very low117 Ų117138.9 Ų138.976%0.7680%0.799SS**PPolyproline II helixtrans-99.1128158.17.713.4000109.3H333H333-P335 WeakPolarHBondContact O-CD 3.34Å
336S32.9Very low37Very low123 Ų123142.3 Ų142.386%0.8681%0.809SS**PPolyproline II helixtrans-99118.2170.5-172.70000109.2
337A41.9Very low36.7Very low92 Ų92139.2 Ų139.276%0.7680%0.798SS**  trans-161.3140.3165.600000110
338D32.7Very low36.5Very low156 Ų156137.5 Ų137.583%0.83480%0.796SS**  trans-72.4145.7-177.8-49-94.8000112.9
339S41.9Very low36.1Very low108 Ų108136.1 Ų136.176%0.75579%0.786SS**  trans178.8135.5137.1-810000112.2V341S339-V341 PolarHBondContact O-N 3.43Å
340D31.6Very low36Very low166 Ų166137.4 Ų137.489%0.88878%0.782SS**  trans-18.5106.4170.7-58.6-65.2000118.5
341V39.9Very low35.4Very low131 Ų131136.4 Ų136.479%0.79478%0.778SS**  trans-131115.5160.1-175.80000111.8S339S339-V341 PolarHBondContact O-N 3.43Å
342T35.8Very low35.3Very low135 Ų135130.7 Ų130.783%0.82876%0.764SS**  trans-31.5123.5170.237.70000116.4
343K33.9Very low35Very low200 Ų200131.2 Ų131.287%0.8776%0.763SS**  trans-90.8121.5172.7-158.5173.1-171.1175.50110.3S345K343-S345 PolarHBondContact O-N 3.34Å; K343-S345 VanDerWaalsContact O-N 3.08Å
344P33.1Very low34.8Very low115 Ų115131.8 Ų131.875%0.74776%0.76SS**  trans-78.696.4-17330-34.7000112.3L346P344-L346 PolarHBondContact O-N 3.08Å
345S35.3Very low34.7Very low109 Ų109131 Ų13176%0.76276%0.757SS**  trans-79.5103.2167.1-172.60000109.9K343 S347K343-S345 PolarHBondContact O-N 3.34Å; K343-S345 VanDerWaalsContact O-N 3.08Å; S345-S347 VanDerWaalsContact C-N 3.33Å; S345-S347 PolarHBondContact O-N 3.46Å
346L35.9Very low34.2Very low171 Ų171133.2 Ų133.290%0.89576%0.762SS**  trans-76.678.1179.6-79.3165000111.8P344P344-L346 PolarHBondContact O-N 3.08Å
347S36.7Very low33.9Very low77 Ų77134.9 Ų134.954%0.53876%0.761SS.*  trans-104.1120.7162.455.20000110.3S345 V349S345-S347 VanDerWaalsContact C-N 3.33Å; S345-S347 PolarHBondContact O-N 3.46Å; S347-V349 PolarHBondContact O-N 3.45Å
348P37.5Very low33.6Very low119 Ų119138.4 Ų138.477%0.77377%0.765SS**  trans-77.770169.232.8-33.6000109.6C350P348-C350 PolarHBondContact O-N 3.42Å
349V31.7Very low33.4Very low105 Ų105137.7 Ų137.764%0.63676%0.762SS**  trans-73.673.9165.3-175.30000107.6S347 E351S347-V349 PolarHBondContact O-N 3.45Å; V349-E351 HydrophobicContact CG1-CB 4.23Å; V349-E351 PolarHBondContact O-N 3.36Å
350C31.1Very low32.8Very low100 Ų100143.6 Ų143.668%0.67677%0.769SS**  trans-77.567.8171.3-68.10000109.5P348 L352P348-C350 PolarHBondContact O-N 3.42Å; C350-L352 PolarHBondContact O-N 3.07Å
351E27.7Very low32.6Very low167 Ų167140.7 Ų140.778%0.7876%0.762SS**  trans-72.275.8170.3-172.6159.7-16600109.5V349 Q353V349-E351 HydrophobicContact CG1-CB 4.23Å; V349-E351 PolarHBondContact O-N 3.36Å; E351-Q353 PolarHBondContact O-N 3.08Å
352L33.6Very low32.2Very low114 Ų114140.2 Ų140.260%0.59776%0.764SS**  trans-95.689.5177.1-77.7173000110.2C350 Y354C350-L352 PolarHBondContact O-N 3.07Å; L352-Y354 HydrophobicContact CB-CD2 4.15Å; L352-Y354 HydrophobicContact CB-CE2 3.65Å; L352-Y354 HydrophobicContact CD1-CE2 4.2Å; L352-Y354 HydrophobicContact CG-CE2 4.38Å; L352-Y354 PolarHBondContact O-N 3.35Å; L352-Y354 VanDerWaalsContact O-N 3.09Å
353Q29.5Very low32.1Very low166 Ų166139.1 Ų139.178%0.77676%0.757SS**  trans-58.1102.9170.7-177.671.7-17.700110.9E351E351-Q353 PolarHBondContact O-N 3.08Å
354Y31.6Very low32Very low174 Ų174138.5 Ų138.568%0.68276%0.755SS**  trans-126103.9172.5-63.6-50.4000110.6L352L352-Y354 HydrophobicContact CB-CD2 4.15Å; L352-Y354 HydrophobicContact CB-CE2 3.65Å; L352-Y354 HydrophobicContact CD1-CE2 4.2Å; L352-Y354 HydrophobicContact CG-CE2 4.38Å; L352-Y354 PolarHBondContact O-N 3.35Å; L352-Y354 VanDerWaalsContact O-N 3.09Å
355P31.6Very low32Very low106 Ų106140 Ų14069%0.68876%0.761SS**  trans-77.6123.3171.831.3-31.4000109.7
356L33.6Very low31.8Very low163 Ų163139.7 Ų139.785%0.85376%0.755SS**  trans-141.6110.9168.8-77.8179.9000110.9
357D26Very low31.8Very low158 Ų158139.4 Ų139.485%0.84576%0.755SS**  trans-70.2131.5177.4-50.5-95.3000112.2
358I34.6Very low31.4Very low166 Ų166140 Ų14085%0.85176%0.759SS**  trans-134.7116.8155.2-60.8-175.8000108.6
359N28.6Very low31.1Very low142 Ų142145.9 Ų145.976%0.75977%0.766SS**  trans-60.4139.3172.1-82-61.9000111.8
360Y29.5Very low31.3Very low232 Ų232146.1 Ų146.191%0.9177%0.772SS**  trans-138129.8136.9-144.6-92000110.4
361S28.2Very low31.1Very low105 Ų105149 Ų14973%0.73478%0.78SS**  trans-77.2132.4-159.1-51.20000113.7
362S30.3Very low31.4Very low121 Ų121147.8 Ų147.885%0.84678%0.784SS**  trans-142.7132.8147.8-159.90000108.4
363T33.6Very low31.1Very low112 Ų112151.4 Ų151.469%0.68780%0.798SS**PPolyproline II helixtrans-78.6124.6-160.545.40000113.3
364K31.6Very low31Very low186 Ų186149.2 Ų149.281%0.80980%0.8SS**PPolyproline II helixtrans-74.7140.7160.9-73.2-175.4175.1-1780110.4T366K364-T366 HydrophobicContact CB-CG2 4.36Å; K364-T366 HydrophobicContact CD-CG2 4.3Å
365V34.2Very low30.8Very low146 Ų146147.2 Ų147.289%0.88580%0.801SS**PPolyproline II helixtrans-100.4132.5141.5177.90000105.9
366T31.6Very low30.7Very low103 Ų103150 Ų15063%0.63280%0.803SS**  trans-109.4139.6175.449.40000109.1K364K364-T366 HydrophobicContact CB-CG2 4.36Å; K364-T366 HydrophobicContact CD-CG2 4.3Å
367D35Very low30.5Very low166 Ų166148.1 Ų148.189%0.88879%0.793SS**  trans-134155141.2-140.4-33.1000109.3
368S29Very low30.6Very low90 Ų90149.8 Ų149.863%0.62979%0.789SS**  trans-152.2127.2-158.159.80000114.1
369R31.4Very low30.5Very low242 Ų242149.2 Ų149.291%0.91379%0.788SS**  trans-165.4151.1145.7-114.8157.6176.6133.2-1.5114.3
370S34.7Very low30.4Very low109 Ų109148.8 Ų148.876%0.76279%0.786SS**  trans49.2100.8159.849.90000118.9
371N26.5Very low30.4Very low160 Ų160141.5 Ų141.586%0.85677%0.773SS**  trans-62.5143.9144.7-69.5-8.7000110
372T34.3Very low30.4Very low142 Ų142143.9 Ų143.987%0.87178%0.778SS**  trans-141.8148134.317.20000108.4
373E28.1Very low30.5Very low190 Ų190144.7 Ų144.789%0.88878%0.777SS**  trans-83.7-169.2-174.1-69160.677.600112.9
374C26.5Very low30.2Very low121 Ų121146 Ų14682%0.81878%0.779SS**  trans81.493.9-179.6-106.60000115
375N27Very low30.1Very low131 Ų131143.5 Ų143.570%0.70178%0.775SS**  cis85.8118.248.2-165.820.7000112.5
376K29.8Very low29.6Very low165 Ų165142.1 Ų142.172%0.71777%0.77SS**  trans86150.7149.8-98.2175.8-175-172.10123.5
377D29.5Very low29.4Very low123 Ų123143.7 Ų143.766%0.65877%0.774SS**  trans73.4110.4152.4-54-25.1000121.5
378Y29.1Very low28.9Very low194 Ų194141.5 Ų141.576%0.76177%0.767SS**  trans27.6132.6135.9-71.6-93.6000120
379N31.2Very low28.8Very low154 Ų154141.8 Ų141.882%0.82477%0.769SS**  -167.5167.895.2-102.2-78.6000112.6
380D28.3Very low28.6Very low133 Ų133135.8 Ų135.871%0.71176%0.764SS**  trans-91.6176.6-166.5-66.8-83.9000116.1
381A29Very low28.3Very low79 Ų79135.7 Ų135.765%0.65376%0.763SS**  trans77.4120.5143.900000120.1
382N28.6Very low28.5Very low154 Ų154132.7 Ų132.782%0.82476%0.755SS**  trans69.3151161-56-47.6000114
383V31.7Very low28.4Very low138 Ų138130.9 Ų130.984%0.83675%0.748SS**  cis-135.713842.6161.30000113.6
384L28.2Very low28.7Very low140 Ų140126.8 Ų126.873%0.73374%0.74SS**  trans-67.4144.1168.2-166.391.6000111.1
385N28.1Very low29.3Very low134 Ų134126.4 Ų126.472%0.71773%0.734SS**  trans53.5115164.4-81.4-17.6000118.7
386C24.8Very low29.4Very low116 Ų116126.7 Ų126.778%0.78474%0.736SS**  -161.9110.7124-103.70000108.3
387L26.3Very low29.5Very low136 Ų136124.5 Ų124.571%0.71274%0.736SS**  72.193.886.3-73.1178.8000114.9
388T24.7Very low29.4Very low120 Ų120124 Ų12474%0.73674%0.741SS**  trans74163.1132.969.50000121
389S26.5Very low29.7Very low97 Ų97119.9 Ų119.968%0.67874%0.741SS**  trans85.5104.3151.6-53.80000118.1
390S27.5Very low29.6Very low115 Ų115117.6 Ų117.680%0.80474%0.743SS**  trans71.5144.1138.8-500000116.2
391S28.4Very low29.8Very low107 Ų107117.8 Ų117.875%0.74875%0.75SS**  cis161.6154.86.346.60000104
392S30.6Very low30Very low97 Ų97124 Ų12468%0.67876%0.762SS**  cis-172.8166.7-243.60000108.8
393S32.8Very low30Very low105 Ų105121.3 Ų121.373%0.73476%0.755SS**  trans65.5150.415728.10000117.4
394S34.9Very low29.8Very low103 Ų103122.2 Ų122.272%0.7275%0.752SS**  cis-162.9150.42.3-960000108.4
395V38.3Very low29.8Very low113 Ų113122 Ų12269%0.68575%0.751SS**  cis-156161.9-14.2-97.90000108.5
396D30.1Very low29.7Very low137 Ų137123.5 Ų123.573%0.73375%0.752SS**  trans29148132.9-45.7-33.5000121.8
397T31.8Very low29.7Very low119 Ų119127.7 Ų127.773%0.7375%0.753SS**  cis-152.1144.216.9-230000112.6
398C27.8Very low29.9Very low113 Ų113129.3 Ų129.376%0.76476%0.756SS**  trans43.5148.7147.773.80000122.5
399S33.7Very low29.9Very low107 Ų107128.6 Ų128.675%0.74876%0.755SS**  cis-138.8121.212.2-790000114.3
400A30.8Very low30Very low106 Ų106128.2 Ų128.288%0.87675%0.752SS**  46.5105.5129.300000121.8
401T31.9Very low30.1Very low138 Ų138129.9 Ų129.985%0.84775%0.747SS**  trans-106.6153.1152.752.80000111.1
402K32Very low30.1Very low209 Ų209132.6 Ų132.691%0.90975%0.748SS**  trans169.8162.1158.7-98.4164.4179.1-1760108.8
403S29.4Very low30Very low97 Ų97132 Ų13268%0.67875%0.75SS**  cis-172166.9-29175.30000108.4
404M26.6Very low29.9Very low158 Ų158133.8 Ų133.878%0.77875%0.751SS**  trans-48.4139.2171.1-60.6168.4-78.600113.3
405N28.9Very low29.8Very low135 Ų135133.6 Ų133.672%0.72275%0.745SS**  178.9139.3116.8-90.6-19.9000115.1
406F26.1Very low29.7Very low166 Ų166134.3 Ų134.373%0.72875%0.75SS**  trans57.3126.9139.8-78.3-119.7000122.1
407Y25.3Very low29.9Very low204 Ų204133.7 Ų133.780%0.875%0.747SS**  trans50.8130.1151.3-67.9-113.9000117.9
408H29.7Very low30.1Very low170 Ų170133.5 Ų133.579%0.78774%0.741SS**  -172.3162.466.7179.7-99.1000111
409C24.4Very low30.6Very low105 Ų105134.1 Ų134.171%0.70974%0.737SS**  trans-96120.8179.5169.40000113
410S29.4Very low30.7Very low88 Ų88135.6 Ų135.662%0.61574%0.737SS**  trans-170.2118.8146.2-92.40000115.8
411Q29.3Very low30.9Very low151 Ų151136 Ų13671%0.70673%0.733SS**  68.5124.7123.8-64.6-162.687.700123.8
412Q28.6Very low31.1Very low163 Ų163137.2 Ų137.276%0.76273%0.733SS**  trans82.2130.6135.9-69.3176.432.400121.7
413A28.9Very low31.3Very low86 Ų86132.9 Ų132.971%0.71173%0.726SS**  trans66.2151.1152.900000118
414N29.8Very low31.4Very low141 Ų141134.7 Ų134.775%0.75473%0.733SS**  cis-169.5156.2-9.4-1086.8000107.7
415T33.4Very low31.5Very low99 Ų99132.8 Ų132.861%0.60773%0.734SS**  cis-163.6149.4-9.70.90000109.5
416T35.2Very low31.8Very low129 Ų129133.7 Ų133.779%0.79174%0.737SS**  trans65159.1162.366.50000117.2
417N34.8Very low32Very low123 Ų123131.6 Ų131.666%0.65874%0.743SS**  cis-152.4140.711.7-145.412.8000114.9
418N36.2Very low32.4Very low116 Ų116129.1 Ų129.162%0.6274%0.742SS**  trans58.1132.1141-76.1-1.7000125.8
419N37.9Very low32.5Very low126 Ų126128 Ų12867%0.67474%0.737SS**  trans78136.5140-60.1-0000118.9
420N36.6Very low32.9Very low138 Ų138133.5 Ų133.574%0.73874%0.743SS**  cis-158.6171.74.4-107.7-11.6000113.1
421S35.6Very low33.2Very low115 Ų115136.5 Ų136.580%0.80475%0.747SS**  trans82.576.8155.5-55.60000122.4
422I35.4Very low33.2Very low162 Ų162136.7 Ų136.783%0.83175%0.753SS**  -16.3151.9120.1-77.6164.6000115.4
423P35.9Very low33.4Very low119 Ų119133.6 Ų133.677%0.77376%0.755SS**  cis-134.6173.830.225.4-1000118.8
424T31.1Very low33.8Very low135 Ų135138.8 Ų138.883%0.82876%0.762SS**  trans-124.2178.2163.353.80000111
425C29Very low34Very low118 Ų118137.1 Ų137.180%0.79776%0.761SS**  trans87.1112.3168.194.50000119.3
426I34.4Very low34.1Very low154 Ų154139.2 Ų139.279%0.7977%0.768SS**  trans-131.1121.9135.9-64.7-178.1000105.7I428I426-I428 HydrophobicContact CG2-CD1 4.39Å; I426-I428 HydrophobicContact CG2-CG1 4.15Å
427S31Very low34.2Very low121 Ų121138.4 Ų138.485%0.84676%0.763SS**  trans-141.4106.3166.1-72.90000107.3
428I34.4Very low34.2Very low153 Ų153140.9 Ų140.979%0.78577%0.77SS**  trans-97.2112.7177.5-61.5175.4000107.7I426I426-I428 HydrophobicContact CG2-CD1 4.39Å; I426-I428 HydrophobicContact CG2-CG1 4.15Å
429H30.4Very low34.1Very low145 Ų145142.1 Ų142.167%0.67178%0.776SS**  trans-115.2127.4164.8-174.3-97.9000107.1Q431H429-Q431 VanDerWaalsContact CE1-CD 3.43Å
430W33.5Very low34.1Very low221 Ų221140.3 Ų140.384%0.83777%0.773SS**  trans-134.2128.4175.8-134.274000108.8
431Q35.1Very low33.9Very low152 Ų152141.1 Ų141.171%0.7178%0.777SS**  trans-131.3147.4176.3-86.2-176.9-19.100109.6H429H429-Q431 VanDerWaalsContact CE1-CD 3.43Å
432N29.2Very low33.9Very low155 Ų155140.5 Ų140.583%0.82977%0.773SS**  trans-63.7140.9-165.9-50.3-42.1000113.7
433A34.5Very low33.9Very low97 Ų97141.7 Ų141.780%0.80278%0.775SS**  trans-142148.214900000109.1
434K36.2Very low33.7Very low196 Ų196139.5 Ų139.585%0.85277%0.767SS**  trans-101.2168.3-173.2-65.5176.6177.1177.20112
435S34.4Very low33.8Very low105 Ų105144.1 Ų144.173%0.73477%0.771SS**  trans105.7129.7137.5-77.40000121.6
436L35.2Very low34.1Very low144 Ų144143 Ų14375%0.75476%0.764SS**  trans85.589.5135.6-68.1168.1000121.9
437T37.2Very low34.1Very low112 Ų112140.7 Ų140.769%0.68776%0.762SS**  78.1130.8114.853.60000124.7
438H34.9Very low34.3Very low174 Ų174142.7 Ų142.781%0.80676%0.764SS**  trans94.3149.9131.1-97.1-113.1000123.5
439L35.2Very low34.9Very low142 Ų142141.2 Ų141.274%0.74376%0.764SS**  trans86.682160.6-95.969.3000122.8
440S36.5Very low35.7Very low89 Ų89139.4 Ų139.462%0.62277%0.765SS**  69.9146.9112.469.30000125.2
441N33.6Very low36Very low154 Ų154136.5 Ų136.582%0.82477%0.766SS**  trans80.5141.2152-67.8-17.3000119.7
442S34.6Very low36Very low103 Ų103132.4 Ų132.472%0.7276%0.764SS**  cis-167.3177.4-10.1-170.30000112.7
443Q35.3Very low36.3Very low187 Ų187132.1 Ų132.187%0.87476%0.761SS**  trans81.1153.1166.7-50.3-177.64.100120.1
444A32.8Very low36.4Very low73 Ų73135.8 Ų135.860%0.60376%0.759SS**  cis-173.3154.1-42.300000112.5
445Y33.3Very low36.3Very low232 Ų232132.5 Ų132.591%0.9175%0.751SS**  trans63.8155.3168.7-63.3-84.1000118.8
446S34.8Very low36.5Very low93 Ų93132.6 Ų132.665%0.6575%0.752SS**  cis-173153.2-23.2177.70000114.3
447S34.2Very low36.5Very low107 Ų107129 Ų12975%0.74875%0.75SS**  trans71.4141.7148.841.80000123.1
448N34.5Very low36.4Very low163 Ų163133.5 Ų133.587%0.87276%0.76SS**  trans-116.1168.2-178.2-55.8-47.8000113.2
449P48.5Very low36.5Very low122 Ų122130.3 Ų130.379%0.79276%0.758SS**  trans-110.5165.8154.437.4-27.9000114
450P46.4Very low36.5Very low107 Ų107126.9 Ų126.970%0.69576%0.756SS**  trans-137.9178.5-153.342.9-25.2000119.5
451N38.9Very low36.4Very low159 Ų159131.2 Ų131.285%0.8577%0.771SS**  trans89.1138.4152.8-61.3-26.7000122.6
452G36.6Very low36.3Very low66 Ų66129.3 Ų129.368%0.6877%0.77SS**  trans11897.5166.900000114.8
453I35.8Very low36.2Very low149 Ų149129.9 Ų129.976%0.76477%0.773SS**  76.4123.252.9-56.8170.4000111
454F34.8Very low36.2Very low175 Ų175126 Ų12677%0.76877%0.766SS**  cis-155.1167.813.5-133.4-14.4000114.3
455N34.8Very low36.2Very low126 Ų126127.8 Ų127.867%0.67477%0.77SS**  trans22.9151.9137.6-79.90.6000123.7
456S38.3Very low36.2Very low108 Ų108124 Ų12476%0.75577%0.765SS**  cis-172.8153.1144.60000114.8
457G36.2Very low36Very low69 Ų69128.6 Ų128.671%0.71178%0.777SS**  trans90.4151.415400000117.2
458F34.9Very low36.3Very low206 Ų206128.9 Ų128.990%0.90478%0.776SS**  cis-155169.4-7.8-146.5-98.6000110.5
459S37.4Very low36.3Very low107 Ų107127.2 Ų127.275%0.74877%0.774SS**  trans-46157-174.2-45.70000117.9
460G34.6Very low35.5Very low69 Ų69126.9 Ų126.971%0.71178%0.775SS**  cis161.4-167.3-1.300000113.6
461L34.2Very low34.9Very low181 Ų181133.2 Ų133.295%0.94879%0.785SS**  trans87.3148.8175.5-56.7177000119.5
462S32.3Very low34.6Very low113 Ų113130 Ų13079%0.7977%0.774SS**  trans-69.1170.1-170.8560000115.9
463C32.8Very low34.6Very low115 Ų115137.9 Ų137.978%0.77778%0.783SS**  cis-155.7170.924.3550000115.6
464S34.1Very low34.7Very low106 Ų106136.7 Ų136.774%0.74178%0.783SS**  trans-6.7152.3151.2-64.80000121.5
465T33.4Very low34.8Very low111 Ų111133.7 Ų133.768%0.68178%0.784SS**  cis-166.5149.7-5.6-87.60000110.1
466D32.7Very low34.9Very low152 Ų152131.3 Ų131.381%0.81379%0.788SS**  trans40.5117.1162.8-59-19.1000123.9
467Q30.5Very low34.9Very low190 Ų190133.6 Ų133.689%0.88879%0.792SS**  trans-157.9131.8131.3-155.7177.351.500112.7
468P40.3Very low34.9Very low112 Ų112137.1 Ų137.173%0.72779%0.792SS**  trans-87.3163.1173.633.9-33.6000113.7
469P35.5Very low35.2Very low129 Ų129134.7 Ų134.784%0.83878%0.784SS**  trans-110.4167.3-143.740.4-37000117.2
470S31.3Very low35.2Very low115 Ų115135.9 Ų135.980%0.80478%0.778SS**  trans-105.4150.1163.761.60000112.3
471R33.5Very low35.3Very low240 Ų240139 Ų13991%0.90678%0.777SS**  trans-116.2114.6169.3-89.9-176.1170.7-173.9-1.8108.2
472C32.7Very low35.3Very low92 Ų92136.7 Ų136.762%0.62277%0.765SS**  78.6112.488.1-76.50000113.5
473R37.2Very low35.5Very low230 Ų230141.5 Ų141.587%0.86877%0.766SS**  77.8154.4102.3-67177.9-179.6-168.81112.4
474T38.1Very low35.7Very low125 Ų125142.4 Ų142.477%0.76776%0.763SS**  cis-147.3172.116.232.20000109.3
475S36.3Very low35.8Very low112 Ų112142.8 Ų142.878%0.78376%0.757SS**  cis171.1131.4-41.1550000107.9
476G37.6Very low36Very low75 Ų75144.3 Ų144.377%0.77376%0.756SS**  trans-150.793.3-170.600000117.5
477L36.6Very low36.1Very low157 Ų157143.4 Ų143.482%0.82275%0.752SS**  trans31.9128.2150.9-49.1-178.8000120.9
478I37.6Very low36.3Very low142 Ų142140.7 Ų140.773%0.72875%0.747SS**  cis98.1143.839.6-73.4171.8000113.2
479E41.2Very low36.1Very low155 Ų155138.3 Ų138.372%0.72474%0.744SS**  trans82.6141.4179.2-52.6-120.3112.200116.4
480Q37.1Very low36.1Very low132 Ų132138.3 Ų138.362%0.61774%0.741SS**  cis-159.2153.4-11.4-114-173.423.500110.6
481L36.3Very low36.3Very low134 Ų134139.7 Ų139.770%0.70274%0.739SS**  trans32.3154139.2-57.2173.7000122
482L33.7Very low36.3Very low133 Ų133133.7 Ų133.770%0.69673%0.734SS**  cis175.7167.3-20.8-157.679.5000106
483R36.3Very low36.4Very low215 Ų215138.1 Ų138.181%0.81175%0.748SS**  trans97.8117.7172.6-57.7166.9-142.1-107.9-0.5114.6
484N37.2Very low36.2Very low134 Ų134131.8 Ų131.872%0.71774%0.739SS**  75.2140.674.6-69.152.6000112.1
485D36.3Very low36.1Very low114 Ų114131.1 Ų131.161%0.6174%0.74SS**  cis-163.3162.26.6-124.1-37.8000113.9
486Q38.8Very low36.1Very low142 Ų142131.2 Ų131.266%0.66474%0.74SS**  trans48.4142.5151.3-56-48.8-56.100125.7
487N34.8Very low36Very low134 Ų134135 Ų13572%0.71774%0.74SS**  trans69152.9136.4-76.9-15.2000123
488V33.6Very low36Very low132 Ų132134.3 Ų134.380%0.873%0.732SS**  cis-164.7150.9-29.8101.90000111.8
489G35.6Very low35.7Very low63 Ų63132.9 Ų132.965%0.64973%0.73SS**  trans79.3173.215400000119.7
490V36.3Very low35.6Very low129 Ų129132.9 Ų132.978%0.78273%0.733SS**  cis-166.7149.7-22.3-97.70000110.7
491N35.1Very low35.2Very low143 Ų143132 Ų13277%0.76573%0.733SS**  trans77.4127.4150-62.3-10.9000124.3
492S33.9Very low35.1Very low115 Ų115135.3 Ų135.380%0.80474%0.736SS**  trans69.2152.7143.8-520000118.5
493M34.2Very low35.3Very low184 Ų184136 Ų13691%0.90674%0.739SS**  cis-143.5177.211.7-57.516878.300108.7
494S34.1Very low35.2Very low97 Ų97129.9 Ų129.968%0.67873%0.73SS**  cis-174.9147.2-41-171.10000108.4
495S34.9Very low35.2Very low112 Ų112128 Ų12878%0.78373%0.727SS**  trans64.3114.1155.3-48.50000121.8
496S36.3Very low35Very low114 Ų114129 Ų12980%0.79773%0.733SS**  -164.9117.4111.8-155.60000114.3
497M35.9Very low34.9Very low154 Ų154130.4 Ų130.476%0.75974%0.739SS**  trans14.1146.7139.2-63.7-178.315000121.2
498H37.7Very low34.8Very low143 Ų143133.2 Ų133.266%0.66275%0.745SS**  cis-142.1145.28-93-58.5000109.9
499T31.4Very low34.9Very low111 Ų111131.4 Ų131.468%0.68174%0.739SS**  54.9108.581.8-29.70000112.6
500I38.5Very low35Very low156 Ų156133.2 Ų133.280%0.874%0.741SS**  -155.9142.375.6-80.6157.8000107.1
501D28.7Very low34.9Very low114 Ų114134 Ų13461%0.6174%0.741SS**  cis95.4137.831.1-171.137.9000114.8
502R34.6Very low34.9Very low203 Ų203131.5 Ų131.577%0.76674%0.735SS**  trans71.8152.6171.5-51-167.2178.8-157.9-8.3118.9
503L36.7Very low34.9Very low146 Ų146134.8 Ų134.876%0.76474%0.735SS**  cis-171.6157.4-19.3-94.2170.2000104.4
504S35.2Very low34.9Very low88 Ų88133.1 Ų133.162%0.61573%0.729SS**  cis-173.1159.9-17.6-171.90000108.7
505S36.2Very low35.4Very low95 Ų95133.9 Ų133.966%0.66473%0.731SS**  trans65.8163.4154-65.90000118
506D31.8Very low35.2Very low134 Ų134134.2 Ų134.272%0.71773%0.733SS**  cis-167.3177.9-32.3-101.7-60000107.4
507Q37.3Very low35.2Very low172 Ų172137 Ų13780%0.80473%0.733SS**  trans81114.3171.5-43.8-152.614.100116.1
508F32.2Very low35.1Very low193 Ų193134.1 Ų134.185%0.84673%0.728SS**  65118.461.9-78.1-89.1000113.1
509S37.3Very low35.2Very low94 Ų94130.7 Ų130.766%0.65773%0.731SS**  -177160.368.4-62.50000113.1
510S36.6Very low35.3Very low100 Ų100134.4 Ų134.470%0.69974%0.738SS**  trans55.4148.9148.152.30000120.7
511N35.6Very low35.1Very low145 Ų145132.6 Ų132.678%0.77574%0.739SS**  cis-157.4139-6.9-94.2-13.8000105.3
512S34.8Very low35.4Very low92 Ų92131.8 Ų131.864%0.64374%0.742SS**  79.8115.95577.70000116.3
513F32.8Very low35.4Very low183 Ų183129.1 Ų129.180%0.80374%0.743SS**  trans87.3103.4147.5-85.7-124.3000124.7
514L35.3Very low35.2Very low149 Ų149128.5 Ų128.578%0.7875%0.745SS**  76.4161.4121.8-65-168.5000123.3
515P43.1Very low35.2Very low113 Ų113127.6 Ų127.673%0.73475%0.749SS**  trans-122.2179.8-158.444.8-33000116.7
516C31.4Very low35.1Very low120 Ų120130.3 Ų130.381%0.81176%0.756SS**  trans-159.6160167.4-101.90000110.6
517H35.9Very low35.4Very low171 Ų171131.3 Ų131.379%0.79276%0.762SS**  cis-140.4-115.6-7-158.8-50.8000111.2
518S34.6Very low35.2Very low94 Ų94127.9 Ų127.966%0.65776%0.757SS**  trans-168.9152.3-172.362.80000115.8
519G38.6Very low35.3Very low71 Ų71125.7 Ų125.773%0.73275%0.754SS**  trans157.5163.7149.700000115.9
520K34.6Very low35.2Very low190 Ų190128.8 Ų128.883%0.82676%0.762SS**  -175.1131.5-61.4-112.5-174.5178.5-178.30109.3
521S35Very low35Very low117 Ų117130 Ų13082%0.81877%0.77SS**  trans65.4163.9163.6820000116.4
522S33.3Very low34.9Very low98 Ų98129.2 Ų129.269%0.68577%0.77SS**  cis-159.3177.61.6-149.70000111.9
523L35Very low35.1Very low147 Ų147128.9 Ų128.977%0.7777%0.767SS**  trans65.1106.6160.8-60.1162.3000116.6
524T33.3Very low35.5Very low133 Ų133125.1 Ų125.182%0.81676%0.755SS**  66.5115.973.666.80000116
525G34.1Very low36.1Very low68 Ų68126.4 Ų126.470%0.70176%0.757SS**  trans155.489.6175.100000109.5
526N34.6Very low36.3Very low153 Ų153126.6 Ų126.682%0.81875%0.748SS**  39.29392.4-68.72.7000113.3
527N37.7Very low36.4Very low154 Ų154127.7 Ų127.782%0.82474%0.743SS**  -174.4158104.4-86.7-27.6000112.2
528S32.9Very low36.7Very low100 Ų100127.3 Ų127.370%0.69974%0.742SS**  trans-56.8134.1165.949.10000111.6
529N34.9Very low37.1Very low148 Ų148126 Ų12679%0.79173%0.73SS**  trans169.745.7144.9-84.6-9.5000112.9
530L34.4Very low37.1Very low158 Ų158127 Ų12783%0.82772%0.718SS**  trans-136.526.4172.3-97.8173.9000113.4
531C32.7Very low37.1Very low127 Ų127126.6 Ų126.686%0.85871%0.713SS**SBendtrans-114.143.2173.4-164.30000110.2
532T34.6Very low37.5Very low128 Ų128126.3 Ų126.379%0.78570%0.702SS**SBendtrans-16025.7-179.7-16.10000113.3
533S37.9Very low37.8Very low84 Ų84124.4 Ų124.459%0.58769%0.689SS**SBendtrans-162.2132.5172.6-920000108.4
534L40.7Very low37.9Very low104 Ų104123.1 Ų123.155%0.54568%0.682SS.*  cis-11984.8-7.5-74.4167.8000109.3Q536 M537L534-Q536 HydrophobicContact CB-CB 4.29Å; L534-Q536 HydrophobicContact CD2-CB 4.08Å; L534-Q536 PolarHBondContact O-N 3.35Å; L534-M537 HydrophobicContact CD1-CE 4.15Å; L534-M537 PolarHBondContact O-N 2.76Å
535Q49.6Very low38.3Very low176 Ų176122.2 Ų122.282%0.82267%0.671SS**THydrogen-bonded Turntrans-73.647.4161.3-164165.311.900109.8
536Q45.5Very low38.5Very low117 Ų117127 Ų12755%0.54768%0.677SS.*THydrogen-bonded Turntrans-155.9-5.6-156.9-167.2143.916.700111.8L534 T539L534-Q536 HydrophobicContact CB-CB 4.29Å; L534-Q536 HydrophobicContact CD2-CB 4.08Å; L534-Q536 PolarHBondContact O-N 3.35Å; Q536-T539 VanDerWaalsContact CA-OG1 3.32Å; Q536-T539 WeakPolarHBondContact CA-OG1 3.27Å; Q536-T539 PolarHBondContact O-OG1 2.94Å
537M34.6Very low38.4Very low144 Ų144126.5 Ų126.571%0.70968%0.675SS**SBendtrans-85.3-29.2155.3-98.5-175.1-77.600111.9L534L534-M537 HydrophobicContact CD1-CE 4.15Å; L534-M537 PolarHBondContact O-N 2.76Å
538E41.1Very low38.3Very low162 Ų162124.5 Ų124.576%0.75767%0.668SS**THydrogen-bonded Turntrans-84.1-10.4177.2-71.5-174.3116.200114.1
539T44.5Very low38.3Very low67 Ų67125.8 Ų125.841%0.41167%0.672SS.*THydrogen-bonded Turntrans-79.7-3617051.50000112.1Q536 Y541 L542 S543Q536-T539 VanDerWaalsContact CA-OG1 3.32Å; Q536-T539 WeakPolarHBondContact CA-OG1 3.27Å; Q536-T539 PolarHBondContact O-OG1 2.94Å; T539-Y541 PolarHBondContact O-N 3.38Å; T539-L542 PolarHBondContact O-N 3.17Å; T539-S543 PolarHBondContact O-N 2.83Å; T539-S543 PolarHBondContact O-OG 2.9Å
540D37.8Very low38.2Very low91 Ų91124.1 Ų124.149%0.48767%0.67SS.*Hα-helixtrans-84.7-15.3-165.8-67.916.2000112.5S543 N544D540-S543 PolarHBondContact O-OG 3.14Å; D540-N544 PolarHBondContact O-ND2 3.08Å
541Y35.4Very low38Very low183 Ų183124.5 Ų124.572%0.71867%0.667SS**Hα-helixtrans-88.6-11169.6-153.5-98.3000113.5T539T539-Y541 PolarHBondContact O-N 3.38Å
542L41.9Very low38Very low111 Ų111126.5 Ų126.558%0.58167%0.668SS**Hα-helixtrans-114.3-14.7179.4-69.1177.6000114T539T539-L542 PolarHBondContact O-N 3.17Å
543S39.7Very low38Very low58 Ų58127.5 Ų127.541%0.40666%0.664SS.*Hα-helixtrans-67.5-45.4164.355.50000111.5T539 D540 I545 M546T539-S543 PolarHBondContact O-N 2.83Å; T539-S543 PolarHBondContact O-OG 2.9Å; D540-S543 PolarHBondContact O-OG 3.14Å; S543-I545 PolarHBondContact O-N 3.09Å; S543-M546 PolarHBondContact O-N 2.99Å
544N37.1Very low37.9Very low119 Ų119129.9 Ų129.964%0.63667%0.669SS**THydrogen-bonded Turntrans-68.23.5-177.8-76.4-66.5000115.7D540D540-N544 PolarHBondContact O-ND2 3.08Å
545I42.9Very low37.6Very low115 Ų115133.1 Ų133.159%0.5969%0.685SS**THydrogen-bonded Turntrans-121.6-2.2179.3-63-179.6000112.2S543S543-I545 PolarHBondContact O-N 3.09Å
546M37.1Very low36.7Very low167 Ų167135 Ų13582%0.82369%0.685SS**THydrogen-bonded Turntrans-121.66.8173.5-69.2-166.5-6500114.5S543S543-M546 PolarHBondContact O-N 2.99Å
547D32.4Very low36Very low143 Ų143138.4 Ų138.477%0.76570%0.7SS**  trans-127.345.2-179-129.5-23.8000112.7
548T36.5Very low36Very low112 Ų112140.2 Ų140.269%0.68771%0.707SS**  trans-123.946.7176.563.10000113
549T33.4Very low35.5Very low128 Ų128136.4 Ų136.479%0.78570%0.698SS**  trans-160.8125.4157.9-14.50000107.2
550P31.6Very low35Very low113 Ų113142.4 Ų142.473%0.73472%0.719SS**  cis-136.1122.828.136.3-16.1000115.8
551Q31.4Very low34.9Very low165 Ų165145.9 Ų145.977%0.77173%0.732SS**  trans-140.959.9170.9-83.9-64.2-4.800113.5
552L33Very low34.8Very low169 Ų169142.8 Ų142.889%0.88573%0.734SS**  trans-145.737.5159.4-96-172.1000112.8I554L552-I554 VanDerWaalsContact C-N 3.31Å
553E34.3Very low34.3Very low149 Ų149142.5 Ų142.570%0.69674%0.741SS**  trans-97.946.8166.6-17055.3-112.200110.4
554I35.2Very low33.9Very low135 Ų135144.1 Ų144.169%0.69276%0.758SS**  trans-136.866.9171.8-47.4-179.5000109.6L552L552-I554 VanDerWaalsContact C-N 3.31Å
555I35.4Very low33.7Very low171 Ų171146 Ų14688%0.87777%0.768SS**SBendtrans-159.667.4142.8-92144.4000106.5
556R29.2Very low33Very low217 Ų217149.3 Ų149.382%0.81978%0.778SS**  trans-146.339.4169.7-132.7172.9-172.51703.8114.7
557Q31Very low32.8Very low188 Ų188147.3 Ų147.388%0.87977%0.771SS**  trans-114.183.9168.6-70-164.14.100111.9
558Q34.5Very low32.6Very low181 Ų181147.8 Ų147.885%0.84677%0.768SS**  trans-18096.4154.6-99.3155.854.200105.3
559S32.2Very low32.4Very low83 Ų83149 Ų14958%0.5877%0.769SS**  63.2120.29170.90000112.3
560F34.3Very low32.1Very low193 Ų193149.9 Ų149.985%0.84677%0.769SS**  cis-144.1169.837.9-90.7-90.6000116.3
561H35.8Very low32Very low164 Ų164149.1 Ų149.176%0.75977%0.766SS**  trans-37.4145.6171.6-97.8-112.3000118.1
562P32.1Very low31.9Very low118 Ų118146.4 Ų146.477%0.76677%0.765SS**  trans-113.8110148.333.9-22.1000111.6
563S30.9Very low31.7Very low104 Ų104149 Ų14973%0.72776%0.763SS**  trans-167.2145.3169.6-84.80000115.8
564A31.6Very low31.4Very low92 Ų92147.7 Ų147.776%0.7677%0.765SS**  trans79.3152.7154.700000120.8
565L32.5Very low31.2Very low160 Ų160146.4 Ų146.484%0.83877%0.769SS**  trans66.498.2172.6-49.1-175.8000114.6
566F29.4Very low31.1Very low183 Ų183143.3 Ų143.380%0.80376%0.762SS**  cis71.1140.830-140.1-77.6000113.3
567N31.4Very low31.4Very low126 Ų126137.5 Ų137.567%0.67476%0.755SS**  trans74.7144.7-174.9-63.1-35.7000115
568H29.6Very low31.6Very low153 Ų153135.1 Ų135.171%0.70875%0.753SS**  cis-161.9169.3-5.3-142.1-65.7000111.4
569I32.9Very low31.7Very low137 Ų137130.4 Ų130.470%0.70375%0.745SS**  trans70106.2159.6-60.8175.6000114.5
570N26.9Very low31.9Very low146 Ų146131.2 Ų131.278%0.78176%0.757SS**  77.7147.968.6-92.4-18.7000116.4
571S28.2Very low32.1Very low97 Ų97125.5 Ų125.568%0.67875%0.745SS**  trans77.2113157.3-60.30000119.6
572S29.4Very low32.3Very low108 Ų108125.4 Ų125.476%0.75575%0.745SS**  trans74.1158.7132.379.80000117.9
573R28.4Very low32.7Very low223 Ų223126.6 Ų126.684%0.84274%0.739SS**  cis-157133.9-14.1-119.2169.1-178.6-178.3-0.3106.2
574V29.2Very low33Very low122 Ų122128.1 Ų128.174%0.73974%0.739SS**  66.1136.6103.7169.70000116
575S30.4Very low33.5Very low109 Ų109130.9 Ų130.976%0.76274%0.74SS**  trans72.6151.4167.3-75.50000116.6
576S33.6Very low33.8Very low106 Ų106127.7 Ų127.774%0.74173%0.729SS**  cis-168.1-174.1-12.752.60000107.7
577S34.8Very low34.3Very low94 Ų94125.4 Ų125.466%0.65773%0.73SS**  cis-169.2174.72164.20000112
578V35.5Very low35Very low138 Ų138124 Ų12484%0.83673%0.728SS**  trans71.4133.3148.3160.60000117.3
579A36.3Very low35.4Very low83 Ų83123.4 Ų123.469%0.68673%0.729SS**  cis-158.9164.3-2.700000114.5
580A36.3Very low35.6Very low100 Ų100123.8 Ų123.883%0.82673%0.732SS**  trans68142146.700000120.6
581A38.8Very low36.3Very low73 Ų73121.8 Ų121.860%0.60373%0.725SS**  cis-166.1159.3-18.400000111.7
582H40.9Very low36.7Very low162 Ų162124 Ų12475%0.7573%0.729SS**  trans62.2143.6159.6-59.1-57.9000119
583H39.3Very low37.3Very low142 Ų142125.4 Ų125.466%0.65772%0.723SS**  cis-169.9143.8-17.8-122-159.3000109.2
584L38.2Very low38Very low136 Ų136122.9 Ų122.971%0.71272%0.721SS**  trans61.4148.7145.1-59.1-176.9000119
585L41.5Very low38.4Very low150 Ų150120.3 Ų120.379%0.78572%0.718SS**  cis-150.2172.2-4.5-101153.6000109
586P40.1Very low38.9Very low94 Ų94120.9 Ų120.961%0.6172%0.723SS**  trans-133.6175.2-160.246.1-33.4000117.4
587V39.3Very low39.2Very low135 Ų135120.2 Ų120.282%0.81872%0.718SS**  trans69.1166.6137.9134.40000117.6
588P46.6Very low39.3Very low97 Ų97122.3 Ų122.363%0.6373%0.727SS**  cis-131.7-171.2-33.831.1-8.6000114.5
589L36.7Very low39.4Very low139 Ų139120.2 Ų120.273%0.72872%0.724SS**  142136.5125-85.6150.2000119.3
590L38.3Very low39.2Very low146 Ų146122.9 Ų122.976%0.76473%0.732SS**  trans64.1151.6152.2-57.5162000117.3
591T39.9Very low39.2Very low104 Ų104122.5 Ų122.564%0.63873%0.729SS**  cis-176165-6.628.90000105.8
592D37.6Very low38.8Very low144 Ų144123.8 Ų123.877%0.7774%0.74SS**  cis-174.3172.5-12.8-101.612.1000107.3
593H42.3Very low38.2Very low136 Ų136121 Ų12163%0.6375%0.745SS**  cis-172.4175.5-25.5179.4-116.1000108.6
594H41.9Very low38Very low171 Ų171119 Ų11979%0.79275%0.753SS**  trans70.1142.3178.1-53.8-82.4000118
595G38.7Very low37.7Very low67 Ų67117.4 Ų117.469%0.69176%0.759SS**  cis161.6160.8-12.700000115
596S40.5Very low37.4Very low122 Ų122115.1 Ų115.185%0.85376%0.762SS**  trans71143.6168.4-153.40000117.5
597S40.5Very low37.1Very low92 Ų92115.6 Ų115.664%0.64377%0.773SS**  cis-169.4142.6-17.544.80000108.4
598T35.8Very low37.2Very low138 Ų138112.9 Ų112.985%0.84777%0.766SS**  cis102.855.717.671.20000118.4
599A38.2Very low36.9Very low94 Ų94117.2 Ų117.278%0.77778%0.777SS**  trans-151.5143.9157.600000109.8
600T32.7Very low37Very low139 Ų139115.8 Ų115.885%0.85378%0.779SS**  cis106.7139.915.4-58.70000113.7
601A35.6Very low37.1Very low92 Ų92115.7 Ų115.776%0.7677%0.774SS**  trans77.4130.1-169.500000115
602A30Very low36.7Very low100 Ų100121 Ų12183%0.82678%0.783SS**  cis94.7140.411.700000117.7
603A29.4Very low36.5Very low104 Ų104123.8 Ų123.886%0.8679%0.791SS**  trans78.1163.5177.300000118.4
604A34Very low36.2Very low100 Ų100120.6 Ų120.683%0.82679%0.789SS**  trans59.4101.4-175.400000115.7
605A32.6Very low35.7Very low101 Ų101123.9 Ų123.984%0.83580%0.796SS**  cis89.9128.321.800000117.2
606A34Very low35.4Very low102 Ų102132.8 Ų132.884%0.84381%0.808SS**  trans78.5147163.400000121
607A34.3Very low35.1Very low104 Ų104131.9 Ų131.986%0.8680%0.802SS**  trans64.4139.7171.100000117.6
608A41.5Very low34.8Very low79 Ų79134.8 Ų134.865%0.65381%0.811SS**  cis-146.1150.1-8.400000109
609Q40.6Very low34.8Very low187 Ų187136.2 Ų136.287%0.87481%0.812SS**  49.3132.799.2-61.4177.4-11.900115.1
610S37.8Very low34.7Very low110 Ų110140.6 Ų140.677%0.76982%0.816SS**  cis-168.3-174.31.7550000112.3
611H40.4Very low34.8Very low143 Ų143139.1 Ų139.166%0.66281%0.811SS**  trans83.378.3152.7-142.7-75.4000119.7
612W31.8Very low34.9Very low215 Ų215139.7 Ų139.781%0.81481%0.81SS**  -176.572.1121-98.3110.2000111
613Q33.9Very low35.1Very low203 Ų203141.7 Ų141.795%0.94981%0.812SS**  trans-117.894.7164.7-78.8-156.51000110.2
614A35.8Very low35.3Very low70 Ų70140.7 Ų140.758%0.57980%0.803SS**  trans-159.862173.200000111.4
615Y31.6Very low35.3Very low240 Ų240140.7 Ų140.794%0.94180%0.797SS**SBendtrans176.465.9150.7-114-83000111.6
616R32.3Very low35.2Very low253 Ų253140.8 Ų140.896%0.95579%0.792SS**  trans-148.757.9171.2-149.5-177.8-165.7-152.82.8115.2
617S34.6Very low35.2Very low103 Ų103145.6 Ų145.672%0.7279%0.794SS**  trans-148.9138.5160.7450000109.3
618N34.4Very low34.9Very low154 Ų154150.2 Ų150.282%0.82479%0.791SS**SBendtrans63.3128.5-173.6-55.4-24.3000114.5
619L35.7Very low34.6Very low167 Ų167152.2 Ų152.287%0.87480%0.797SS**  cis-120.5145.74.3-83.6158.6000111.9
620H36.6Very low34.1Very low187 Ų187149.8 Ų149.887%0.86679%0.788SS**  trans-94.3127161.4-75.385.7000108.9
621S35Very low34.1Very low107 Ų107148.9 Ų148.975%0.74878%0.78SS**  trans-168.3111.9135.5-155.70000111.4
622S36.1Very low33.7Very low105 Ų105150.3 Ų150.373%0.73479%0.787SS**  47.5124.3123.9-48.40000120.7
623V35.5Very low33.6Very low142 Ų142147.1 Ų147.186%0.86179%0.786SS**  cis-148.9144.4-12.1-161.40000107.7
624A33.8Very low33.5Very low82 Ų82143.2 Ų143.268%0.67878%0.776SS**  trans-98.7140.6170.300000112
625S33.4Very low33.3Very low100 Ų100144.7 Ų144.770%0.69978%0.778SS**  trans51.3109.6148.861.60000121
626S30.9Very low33.1Very low104 Ų104139.2 Ų139.273%0.72776%0.764SS**  82163.8123.6-55.30000120.9
627F32.7Very low33Very low202 Ų202135.4 Ų135.489%0.88676%0.755SS**  trans80.494.8172.6-63-79.7000118.6
628Y28.4Very low32.8Very low202 Ų202136.9 Ų136.979%0.79275%0.754SS**  trans-53.7148.8144.3-82.9-86.1000110.5I630Y628-I630 HydrophobicContact CD1-CD1 4.19Å; Y628-I630 HydrophobicContact CD1-CG1 4.23Å; Y628-I630 HydrophobicContact CE1-CD1 3.94Å; Y628-I630 HydrophobicContact CE1-CG1 4.4Å
629P34.9Very low32.7Very low120 Ų120134.2 Ų134.278%0.77975%0.747SS**  -138.1140.687.235.9-21.9000116
630I30.8Very low32.7Very low136 Ų136135.1 Ų135.170%0.69775%0.747SS**  trans-79.6136.7149.6-66164.4000104.6Y628Y628-I630 HydrophobicContact CD1-CD1 4.19Å; Y628-I630 HydrophobicContact CD1-CG1 4.23Å; Y628-I630 HydrophobicContact CE1-CD1 3.94Å; Y628-I630 HydrophobicContact CE1-CG1 4.4Å
631P36.6Very low32.5Very low91 Ų91130.7 Ų130.759%0.59174%0.737SS**  -162.4-17978.145.7-24.1000120.4
632H33.7Very low32.6Very low174 Ų174130.8 Ų130.881%0.80674%0.737SS**  trans7394.9154.4-58.6-44.8000121
633N28.1Very low32.5Very low148 Ų148131.9 Ų131.979%0.79174%0.74SS**  trans-36.3127.8140.8169.322.4000114.5T635N633-T635 PolarHBondContact OD1-N 3.32Å
634T33.4Very low32.5Very low121 Ų121132.1 Ų132.174%0.74274%0.735SS**  trans-148.9107.8146.137.50000111.4
635T30.8Very low32.5Very low101 Ų101136.5 Ų136.562%0.6274%0.742SS**  trans46.3123132.758.60000122N633N633-T635 PolarHBondContact OD1-N 3.32Å
636N28.6Very low32.6Very low124 Ų124136.4 Ų136.466%0.66374%0.742SS**  99.7131.1122.9-74.3-2000123.2
637F29.2Very low32.8Very low173 Ų173136.1 Ų136.176%0.75974%0.74SS**  trans92.2115.1132.3-76.3-31.4000122.9
638I30.6Very low33Very low135 Ų135132.8 Ų132.869%0.69274%0.736SS**  115.5116.6112-87170.9000120
639S32Very low33.6Very low97 Ų97128.7 Ų128.768%0.67873%0.734SS**  trans64.2151.6153.4-61.80000118.3
640Q35.9Very low33.5Very low186 Ų186128.9 Ų128.987%0.86973%0.733SS**  cis-150.9176.237.4-70.6175.736.800111.2
641S32.8Very low33.5Very low94 Ų94128.1 Ų128.166%0.65773%0.73SS**  cis-177.5120.4-32.2-82.20000109.3
642S36.9Very low33.2Very low109 Ų109130.8 Ų130.876%0.76273%0.734SS**  trans-174.392.9159.751.70000110.5
643T33.3Very low33.1Very low128 Ų128131 Ų13179%0.78573%0.733SS**  61.9103.788.263.20000115.7
644L36.2Very low33.2Very low147 Ų147129.4 Ų129.477%0.7773%0.729SS**  -170.1135.2113.4-97164.3000111.6
645Q34.4Very low33Very low174 Ų174127.9 Ų127.981%0.81372%0.723SS**  trans23.9141.4140.3-72.3167.6-3.700121
646S34.6Very low33Very low99 Ų99127.4 Ų127.469%0.69272%0.724SS**  cis-168.5152.66.548.80000114
647S35.6Very low33Very low98 Ų98128.6 Ų128.669%0.68572%0.724SS**  trans41.9137.1141.863.60000121.9
648T37.5Very low33.1Very low131 Ų131129.3 Ų129.380%0.80472%0.723SS**  cis-166.7160.1-4.314.30000108.5
649P40Very low33.1Very low116 Ų116128.9 Ų128.975%0.75372%0.722SS**  trans-87.3172.2179.537.6-36.9000113.2
650V32.3Very low32.9Very low124 Ų124130.2 Ų130.275%0.75272%0.721SS**  trans-172.7124.5135138.50000113.5
651N30.4Very low32.7Very low121 Ų121125.6 Ų125.665%0.64771%0.709SS**  trans26.6158.1144-40.7-6.4000125.9
652H30.2Very low32.7Very low146 Ų146128.7 Ų128.768%0.67671%0.713SS**  trans97.5158.2133.8-76.7-50.8000121.6
653F33.3Very low32.4Very low178 Ų178129.4 Ų129.478%0.78171%0.708SS**  trans67105.5176.5-54.4-72.4000115.4
654T30.3Very low32.3Very low116 Ų116130.3 Ų130.371%0.71271%0.705SS**  cis72.516134.387.70000115.8
655S29.1Very low32.1Very low88 Ų88130.9 Ų130.962%0.61570%0.704SS**  trans76.5113.9-177.7136.30000113.5
656S30.1Very low31.9Very low92 Ų92127.1 Ų127.164%0.64370%0.696SS**  cis91.1-177.141.577.70000113.5
657F29.3Very low31.8Very low148 Ų148127.6 Ų127.665%0.64970%0.695SS**  trans78.7108.9-169.9-54.8-70.8000112
658Y30.3Very low31.6Very low188 Ų188129.5 Ų129.574%0.73770%0.698SS**  71.7143.577.1-77.3-133.7000110.1
659D29.8Very low31.6Very low127 Ų127130.8 Ų130.868%0.67970%0.7SS**  cis-140.9172.527.7-133.5-48.9000115.4
660N29.4Very low31.5Very low124 Ų124128.5 Ų128.566%0.66370%0.698SS**  trans-52.5165.9166.5-59.4-89.5000111.3
661S31.7Very low31.6Very low89 Ų89132.5 Ų132.562%0.62271%0.705SS**  164.6172.971.6500000112.3
662H31.6Very low32Very low160 Ų160134 Ų13474%0.74171%0.712SS**  trans70.2139.6152.4-73-56.6000119.5
663L30.6Very low32.7Very low124 Ų124131.3 Ų131.365%0.64971%0.708SS**  cis-164.5120-14.7-171.564.1000113.3
664M30.8Very low32.6Very low147 Ų147131.2 Ų131.272%0.72471%0.707SS**  trans62.4163.3146.1-63-81.3-168.100123.4
665H33.8Very low32.8Very low159 Ų159132.2 Ų132.274%0.73671%0.707SS**  trans84.5112161.3-52.3112.8000116.3
666S29.9Very low32.7Very low95 Ų95134.4 Ų134.466%0.66471%0.712SS**  cis81.713848.3-62.80000112.5
667T31.7Very low32.6Very low108 Ų108134.4 Ų134.466%0.66371%0.711SS**  cis-166.8147.8-1.214.70000109.7
668N32.1Very low32.6Very low139 Ų139132.9 Ų132.974%0.74372%0.719SS**  trans58.2176.7152-50.8-7.8000116.1
669D37Very low32.5Very low157 Ų157127.1 Ų127.184%0.8472%0.717SS**  cis-133160-0.1-103.1-63.7000108.8
670G37.4Very low32.4Very low69 Ų69128.4 Ų128.471%0.71172%0.724SS**  trans-169.2-7.7-174.400000122.6
671K35.7Very low32.3Very low207 Ų207127.4 Ų127.490%0.973%0.726SS**  trans62.486.7162.5-159.9165.6-176.3175.30118.2
672L38Very low32.1Very low153 Ų153129.1 Ų129.180%0.80173%0.733SS**  trans-29.6163.4136.6-70.1172.8000113.7
673P44Very low32Very low90 Ų90127.4 Ų127.458%0.58473%0.734SS**  cis-163.2-179.641.349.4-28.5000121.3
674F31.2Very low31.9Very low176 Ų176126.2 Ų126.277%0.77274%0.736SS**  trans62.1150142.2-63.6-24.7000120.8
675L34.9Very low32Very low136 Ų136127.1 Ų127.171%0.71274%0.743SS**  cis-155.4128.5-11.4-99.6157.8000104.3
676N28.1Very low31.8Very low134 Ų134124.6 Ų124.672%0.71774%0.744SS**  90.2159.275.7-169.431.7000114.4
677C27Very low32.3Very low92 Ų92125.4 Ų125.462%0.62275%0.746SS**  trans71.5106.6166.8-75.10000119.6
678S28.6Very low32.2Very low117 Ų117124.8 Ų124.882%0.81875%0.747SS**  39.5145.2114670000121
679G28.5Very low32.2Very low67 Ų67125 Ų12569%0.69175%0.746SS**  cis150-179.93.900000111.9
680N27.4Very low31.9Very low154 Ų154123.6 Ų123.682%0.82474%0.739SS**  trans53.9104.2167-69.12.6000120.2
681S27.8Very low31.5Very low103 Ų103127 Ų12772%0.7274%0.741SS**  79.7166.9117.4-54.90000121.8
682T28.5Very low31.4Very low124 Ų124122.3 Ų122.376%0.76173%0.734SS**  trans69102.5165.349.70000119.2
683T28.8Very low31.2Very low125 Ų125122.1 Ų122.177%0.76774%0.738SS**  32.2132.4122.361.70000118.2
684S28.3Very low30.7Very low99 Ų99120.9 Ų120.969%0.69274%0.742SS**  174.8170.46756.10000112.9
685L32.9Very low30.6Very low165 Ų165118.9 Ų118.986%0.86475%0.75SS**  trans64.7116.3153.7-68.2162.6000120.7
686S29.5Very low30.4Very low107 Ų107117.8 Ų117.875%0.74875%0.754SS**  trans-70.1-175.2153.5-27.40000111.3
687P40.1Very low30.7Very low111 Ų111117.5 Ų117.572%0.72176%0.762SS**  cis-137.3-161.1-1.629.2-3.5000113.8
688S29.9Very low30.9Very low96 Ų96117 Ų11767%0.67177%0.773SS**  trans105.5123.1137.5-69.90000121.8
689I31.9Very low31.1Very low143 Ų143117 Ų11773%0.73377%0.772SS**  trans92.9107.1133-70.9169.2000119.9
690N31.3Very low31.1Very low128 Ų128124.9 Ų124.968%0.68478%0.781SS**  trans72.5118.2142.7-64.70.2000122.9
691N30.2Very low31.2Very low141 Ų141128 Ų12875%0.75478%0.782SS**  46.8117.5126.6-52.4-15.5000117.7
692S31.7Very low31.3Very low107 Ų107131.6 Ų131.675%0.74879%0.787SS**  175.5177.858.145.10000112.4
693V35Very low31.4Very low149 Ų149131 Ų13190%0.90379%0.788SS**  trans76.5139.8166.6-168.20000116.9
694G33.7Very low31.5Very low64 Ų64133.1 Ų133.166%0.6679%0.793SS**  trans11139.3148.900000119.7S696G694-S696 PolarHBondContact O-N 3.49Å
695S29.7Very low31.7Very low134 Ų134131.5 Ų131.594%0.93779%0.793SS**  trans-68.6115.9179.6-53.40000114.3
696S30.7Very low31.7Very low113 Ų113131.4 Ų131.479%0.7979%0.792SS**  trans-157.188.916561.10000114.3G694G694-S696 PolarHBondContact O-N 3.49Å
697S33.1Very low31.8Very low129 Ų129132.7 Ų132.790%0.90279%0.791SS**  trans-173.8154155.847.60000109.5
698G30.6Very low31.3Very low81 Ų81135 Ų13584%0.83579%0.794SS**  trans-110.3149.8-176.400000113.2
699S34Very low31.5Very low116 Ų116140.1 Ų140.181%0.81180%0.798SS**  trans-150.8133165.3-171.50000110.3
700W28.3Very low31.4Very low233 Ų233140.7 Ų140.788%0.88380%0.802SS**  trans-97.1100-177.1-80.586.8000111.1
701R29.6Very low31.7Very low219 Ų219143 Ų14383%0.82681%0.813SS**  trans-146127.9166.9-86.9-163.6157.1-139.7-6.3114.5
702H30.4Very low31.9Very low180 Ų180140.8 Ų140.883%0.83381%0.809SS**  trans25.9106.6139.7-66.3-117000119.7
703S30.6Very low32Very low112 Ų112142.3 Ų142.378%0.78381%0.809SS**  trans-164.7145.9141.5-132.70000107.1
704L31.1Very low31.9Very low168 Ų168139.8 Ų139.888%0.8880%0.798SS**  cis63.3106.828.9-61.8-175.6000114.2
705G30.8Very low32Very low66 Ų66145 Ų14568%0.6880%0.804SS**  trans129.798.6-170.800000109
706L33.7Very low32.2Very low163 Ų163142.9 Ų142.985%0.85379%0.79SS**  67.5105.879.6-68.5172.6000112.9M708L706-M708 HydrophobicContact CD2-CG 4.45Å
707D30.8Very low32.4Very low134 Ų134144.2 Ų144.272%0.71779%0.787SS**  trans-110.592.1153.3-163.4-8.8000107.6R709D707-R709 PolarHBondContact O-N 2.93Å; D707-R709 WeakPolarHBondContact OD1-CG 3.42Å; D707-R709 IonicContact OD1-NE 2.7Å; D707-R709 PolarHBondContact OD1-NE 2.94Å
708M31.3Very low32.6Very low160 Ų160144.3 Ų144.379%0.78877%0.773SS**  trans-87.197.6-179.7-101.1-79.6-77.200109.2L706L706-M708 HydrophobicContact CD2-CG 4.45Å
709R34.1Very low32.7Very low203 Ų203151.2 Ų151.277%0.76677%0.774SS**  trans-117.886.5176.9-77.1-177.2175.9-137.1-8113.3D707D707-R709 PolarHBondContact O-N 2.93Å; D707-R709 WeakPolarHBondContact OD1-CG 3.42Å; D707-R709 IonicContact OD1-NE 2.7Å; D707-R709 PolarHBondContact OD1-NE 2.94Å
710L29.9Very low32.9Very low154 Ų154149.1 Ų149.181%0.80677%0.771SS**  trans45.888.8132.1-63169.2000116.8
711L37.7Very low33.3Very low177 Ų177145.2 Ų145.293%0.92777%0.767SS**  trans-143.2101.4140.1-99.2129.2000108.5
712S34Very low33.7Very low94 Ų94140.7 Ų140.766%0.65777%0.766SS**  trans-77.9167.3165-58.80000110.2
713D33.3Very low34.1Very low140 Ų140140.1 Ų140.175%0.74977%0.768SS**  trans76.982.5155.9-62.9-57.1000120.3
714S32.7Very low34.2Very low95 Ų95141 Ų14166%0.66477%0.769SS**  77.6147.2103.7-62.90000121.2
715H36.1Very low34.5Very low174 Ų174138.5 Ų138.581%0.80677%0.765SS**  trans76.799.3160.4-70.2-59.1000121.3
716S33.9Very low34.6Very low89 Ų89142.6 Ų142.662%0.62277%0.77SS**  104.3112108.3-67.80000121.3
717L35.1Very low34.7Very low141 Ų141140.9 Ų140.974%0.73877%0.772SS**  77.7110.8126.1-61.2170.3000121.9
718Q36.4Very low34.7Very low131 Ų131141 Ų14161%0.61278%0.778SS**  88.4119.7124.7-74.3-171.631.400122.9
719R33.4Very low35Very low226 Ų226138.8 Ų138.885%0.85378%0.778SS**  trans71.7144.9141.5-60.2174.8-149.2-1133.3119.9
720G37Very low34.8Very low72 Ų72134.9 Ų134.974%0.74278%0.782SS**  trans149.190.7164.100000113.6
721D37.5Very low35Very low152 Ų152133.9 Ų133.981%0.81379%0.786SS**  trans-77.5153.8179.6-57.4-81.9000113.1
722P37.7Very low34.8Very low124 Ų124131.6 Ų131.681%0.80579%0.785SS**  trans-84.1147.1-177.933.8-35.3000113.1
723I38.7Very low34.9Very low167 Ų167130.7 Ų130.786%0.85679%0.791SS**  trans-126.8132.3172.9-60179.4000110.4
724T33.7Very low35Very low131 Ų131131.8 Ų131.880%0.80480%0.797SS**  trans-89142.6178.3-42.80000111.6
725S36.4Very low35.2Very low115 Ų115132.6 Ų132.680%0.80480%0.802SS**  trans-148.5149.3157.259.80000111.4
726L33.3Very low35.1Very low152 Ų152127.6 Ų127.680%0.79680%0.797SS**  trans-97157178.5-65.185.1000110.3
727S35Very low35.3Very low127 Ų127131 Ų13189%0.88880%0.804SS**  trans-152.7107.8155-79.10000110.4
728T31.2Very low35.3Very low137 Ų137131.6 Ų131.684%0.8480%0.802SS**  trans-90.9138.7166.443.40000109.7
729S37.6Very low35.2Very low113 Ų113131.4 Ų131.479%0.7981%0.805SS**  trans-145.8152.116061.80000109.7
730S30.5Very low35.4Very low121 Ų121124.3 Ų124.385%0.84680%0.795SS**  trans-140.6129.4-179.2-59.70000108.3
731C35Very low35.4Very low133 Ų133126.9 Ų126.990%0.89979%0.792SS**  trans-118.2137176-67.10000108.6
732S32Very low35.3Very low129 Ų129130.4 Ų130.490%0.90279%0.794SS**  trans-138145.2-177.660.60000110.8
733G36.1Very low35.1Very low75 Ų75130.1 Ų130.177%0.77379%0.794SS**  trans146145.7-171.800000109.5
734N36.7Very low35Very low164 Ų164130.7 Ų130.788%0.87780%0.798SS**  cis-138.8164.87.7-154.35000111.9
735S35.6Very low34.9Very low112 Ų112127.7 Ų127.778%0.78379%0.793SS**  trans-85.4154.2-174.853.70000114.6
736G35.4Very low35.2Very low68 Ų68128.3 Ų128.370%0.70179%0.794SS**  trans-175.497.8166.700000115
737H37.3Very low35.3Very low162 Ų162128 Ų12875%0.7580%0.798SS**  trans34.3109.5149.8-76.8-97.1000119.1
738E34.9Very low35.5Very low152 Ų152127.2 Ų127.271%0.7179%0.788SS**  90.2141.593.5-86.6-161.7113.800114
739N34.9Very low36.1Very low127 Ų127125.8 Ų125.868%0.67978%0.781SS**  cis-157153.2-8.3-153-29.4000109.9
740A37.2Very low36.3Very low77 Ų77126.6 Ų126.664%0.63678%0.784SS**  trans53.9147.1168.400000119.4
741N36.6Very low36.5Very low127 Ų127127.2 Ų127.268%0.67978%0.777SS**  cis-148.9137.5-13.9-97.4-30.1000106.6
742R35.1Very low36.6Very low225 Ų225128.9 Ų128.985%0.84978%0.776SS**  44.2130.393.4-64.9-168.8-178.9-153.63114.7
743C34.3Very low36.8Very low119 Ų119131 Ų13180%0.80477%0.774SS**  cis-153.5163.45.1-118.30000114
744L35.3Very low36.6Very low179 Ų179136.5 Ų136.594%0.93777%0.773SS**  trans-72.8151.7-175.2-63.7157.5000114.3
745G33.4Very low36.6Very low68 Ų68136 Ų13670%0.70176%0.763SS**  trans-152.8128.8160.800000110.3
746P40.9Very low36.7Very low128 Ų128136.3 Ų136.383%0.83176%0.763SS**PPolyproline II helixtrans-86.8146.1-173.633.6-34.5000113.1
747V35.8Very low36.5Very low145 Ų145141.6 Ų141.688%0.87977%0.769SS**PPolyproline II helixtrans-90.8126.9170.9177.40000109.8
748T39.3Very low36.5Very low111 Ų111140.2 Ų140.268%0.68177%0.772SS**PPolyproline II helixtrans-82.9151.1176.542.30000112.7
749P43.4Very low36.5Very low106 Ų106138.8 Ų138.869%0.68877%0.774SS**PPolyproline II helixtrans-70.5159.2160.133-34.1000110.6
750P42.3Very low36.4Very low131 Ų131140.4 Ų140.485%0.85178%0.782SS**PPolyproline II helixtrans-68.4142.4-169.726.8-35.6000114.1
751D35.1Very low36.3Very low133 Ų133146.8 Ų146.871%0.71180%0.796SS**PPolyproline II helixtrans-66.2136.3-168.1-74.1-64.3000116.2M753D751-M753 HydrophobicContact CB-CG 4.39Å
752L37.8Very low35.9Very low168 Ų168144.1 Ų144.188%0.8880%0.798SS**  trans-86.296.2147.5-79.2165.8000108.1Y754L752-Y754 PolarHBondContact O-N 3.45Å
753M34.8Very low35.9Very low174 Ų174142.4 Ų142.486%0.85780%0.802SS**  trans-68.598172-82.6-66.2-68.200110.6D751D751-M753 HydrophobicContact CB-CG 4.39Å
754Y32.7Very low36Very low190 Ų190142.1 Ų142.175%0.74580%0.801SS**  trans-132.795.9174.8-165.2-91.4000111.4L752L752-Y754 PolarHBondContact O-N 3.45Å
755F36.4Very low35.8Very low154 Ų154140.1 Ų140.168%0.67579%0.791SS**  trans61.7158.8168.7-73.2-100.3000118
756P36.8Very low36.1Very low119 Ų119145.6 Ų145.677%0.77380%0.798SS**  -118.2126.812933.2-29.5000111
757Q32.7Very low35.9Very low179 Ų179145.9 Ų145.984%0.83679%0.793SS**  trans-80.3139.9154.8-72.3-177.3-31.500108.7
758T36.1Very low36Very low132 Ų132146.8 Ų146.881%0.8179%0.791SS**  trans166.4140.9157.4250000107.5
759T36.4Very low35.7Very low123 Ų123150.7 Ų150.776%0.75580%0.802SS**  cis-144.5153.2-9.3-68.70000109.1F761T759-F761 PolarHBondContact O-N 3.48Å
760L32.8Very low35.6Very low161 Ų161149.5 Ų149.584%0.84380%0.796SS**  trans-47.1116.7168.5-177.183.8000113.5
761F33.6Very low35.5Very low210 Ų210147.9 Ų147.992%0.92179%0.788SS**  trans-152.4133.3147.5-114-78.6000109.1T759T759-F761 PolarHBondContact O-N 3.48Å
762G28.8Very low35.7Very low71 Ų71149.4 Ų149.473%0.73279%0.788SS**  trans-89.2131.6-175.400000112.7
763M35.9Very low36Very low190 Ų190148 Ų14894%0.93678%0.781SS**  trans-133.9147.2157.4-69.5-166.472.600108.8
764S36.3Very low36.4Very low112 Ų112147.2 Ų147.278%0.78378%0.776SS**  trans-76.4172.4-165.4-53.70000114.6
765D31.5Very low37.1Very low137 Ų137146.3 Ų146.373%0.73378%0.778SS**  trans-44.5135.1175.1-47.5-94.2000113.9
766H39.1Very low37.7Very low183 Ų183144 Ų14485%0.84777%0.77SS**  173.8159.3111.7-87.9-59.9000111.9
767N36.1Very low38Very low134 Ų134143 Ų14372%0.71776%0.761SS**  trans69.758.9155.4-15817.8000118.9
768I38.3Very low38.3Very low165 Ų165142.3 Ų142.385%0.84676%0.758SS**  trans-130.256.3150.4-45.4-179.5000109.5
769E34Very low38.6Very low192 Ų192140.9 Ų140.990%0.89775%0.749SS**  trans-124.345.7176.4-161.7174.6-165.600110.7
770S40.4Very low38.9Very low81 Ų81143.2 Ų143.257%0.56675%0.749SS**SBendtrans-145.52.2-168.645.30000115.5
771S40.6Very low39.1Very low98 Ų98142.5 Ų142.569%0.68574%0.741SS**SBendtrans-130.2-9.7-179.4-53.70000115.6
772F38.7Very low39.5Very low164 Ų164136.7 Ų136.772%0.71972%0.723SS**SBendtrans-90-18.5177.7-165.8-125000113.1
773L43.2Very low40Very low139 Ų139136.8 Ų136.873%0.72871%0.712SS**THydrogen-bonded Turntrans-86.4-15.7-174.1-144.968.8000114Q775 T777L773-Q775 VanDerWaalsContact C-N 3.33Å; L773-Q775 PolarHBondContact O-N 3.23Å; L773-T777 PolarHBondContact O-OG1 2.98Å
774Q45.1Very low40.3Very low158 Ų158134.4 Ų134.474%0.73870%0.699SS**THydrogen-bonded Turntrans-78.3-13.6-178.4-157.763.543.600114
775Q45.8Very low40.5Very low170 Ų170131.9 Ų131.979%0.79468%0.681SS**SBendtrans-115.3-5-173.7-159.9163.78400114.2L773L773-Q775 VanDerWaalsContact C-N 3.33Å; L773-Q775 PolarHBondContact O-N 3.23Å
776Q49.4Very low41Very low107 Ų107131.3 Ų131.350%0.567%0.674SS.*SBendtrans-94.9-9.7172-62.1-162.919.200113.6T779Q776-T779 PolarHBondContact O-OG1 3.48Å
777T43.1Very low41.2Very low96 Ų96127.6 Ų127.659%0.58966%0.66SS**SBendtrans-80.5-14.2179.321.50000114.2L773L773-T777 PolarHBondContact O-OG1 2.98Å
778Q39.3Very low41.4Very low165 Ų165127.9 Ų127.977%0.77166%0.656SS**SBendtrans-94-8.9177-68.5-172.7-8.300114.3
779T42.6Very low41.8Very low103 Ų103124.9 Ų124.963%0.63264%0.64SS**SBendtrans-103.119.1-178.946.10000114.1Q776Q776-T779 PolarHBondContact O-OG1 3.48Å
780K42.5Very low42.4Very low172 Ų172119 Ų11975%0.74862%0.621SS**SBendtrans-116.2-7.7176.4-95-174.1173.9-178.70116.5
781Q37.4Very low42.5Very low145 Ų145121.3 Ų121.368%0.67862%0.622SS**SBendtrans-82-37.1174.7-80.2-84.4-50.600112.6S783 Q784Q781-S783 VanDerWaalsContact C-N 3.32Å; Q781-S783 PolarHBondContact O-N 2.88Å; Q781-Q784 PolarHBondContact O-N 2.89Å
782V41.3Very low42.6Very low89 Ų89122 Ų12254%0.53962%0.615SS.*Hα-helixtrans-64.2-32.3-173-1760000113.2Q784 S785V782-Q784 VanDerWaalsContact C-N 3.3Å; V782-Q784 PolarHBondContact O-N 3.41Å; V782-S785 PolarHBondContact O-N 3.26Å; V782-S785 PolarHBondContact O-OG 3.44Å
783S40.6Very low42.8Very low73 Ų73119.8 Ų119.851%0.5161%0.61SS.*Hα-helixtrans-80.4-1.5-177.8-52.10000115Q781 N787Q781-S783 VanDerWaalsContact C-N 3.32Å; Q781-S783 PolarHBondContact O-N 2.88Å; S783-N787 PolarHBondContact O-ND2 3.38Å; S783-N787 VanDerWaalsContact O-ND2 3.07Å
784Q41.5Very low42.6Very low140 Ų140118.1 Ų118.165%0.65461%0.609SS**Hα-helixtrans-96.5-32.7170.2-73.2-176.4-40.100111.9Q781 V782 E786 N787 F788Q781-Q784 PolarHBondContact O-N 2.89Å; V782-Q784 VanDerWaalsContact C-N 3.3Å; V782-Q784 PolarHBondContact O-N 3.41Å; Q784-E786 PolarHBondContact O-N 3.15Å; Q784-N787 PolarHBondContact O-N 3.09Å; Q784-F788 PolarHBondContact O-N 3.29Å
785S39.7Very low42.5Very low58 Ų58117 Ų11741%0.40661%0.607SS.*Hα-helixtrans-63-35.9174.633.10000114.2V782 N787 F788 I789V782-S785 PolarHBondContact O-N 3.26Å; V782-S785 PolarHBondContact O-OG 3.44Å; S785-N787 VanDerWaalsContact C-N 3.28Å; S785-N787 PolarHBondContact O-N 2.99Å; S785-F788 PolarHBondContact O-N 2.76Å; S785-I789 WeakPolarHBondContact O-CG1 3.4Å; S785-I789 PolarHBondContact O-N 3.48Å; S785-I789 VanDerWaalsContact O-N 3.08Å
786E43.1Very low42.3Very low125 Ų125115.5 Ų115.558%0.58460%0.604SS**Hα-helixtrans-67.3-27.7-178.4-66.7-177.5134.900113.1Q784 S790Q784-E786 PolarHBondContact O-N 3.15Å; E786-S790 WeakPolarHBondContact O-CB 3.5Å; E786-S790 PolarHBondContact O-N 3.47Å; E786-S790 PolarHBondContact O-OG 3.1Å
787N42.7Very low41.6Very low106 Ų106113.6 Ų113.657%0.56761%0.613SS**Hα-helixtrans-77.1-42.9175.4-68.1-66.4000111.4S783 Q784 S785 I789 S790 E791S783-N787 PolarHBondContact O-ND2 3.38Å; S783-N787 VanDerWaalsContact O-ND2 3.07Å; Q784-N787 PolarHBondContact O-N 3.09Å; S785-N787 VanDerWaalsContact C-N 3.28Å; S785-N787 PolarHBondContact O-N 2.99Å; N787-I789 VanDerWaalsContact C-N 3.33Å; N787-I789 PolarHBondContact O-N 3Å; N787-S790 WeakPolarHBondContact O-CB 3.47Å; N787-S790 PolarHBondContact O-N 2.81Å; N787-S790 VanDerWaalsContact O-N 3.09Å; N787-E791 PolarHBondContact O-N 3.07Å
788F40.5Very low41.2Very low140 Ų140120.5 Ų120.561%0.61463%0.628SS**Hα-helixtrans-67.2-33.3179.9-150.5-103.9000112.8Q784 S785 Q792Q784-F788 PolarHBondContact O-N 3.29Å; S785-F788 PolarHBondContact O-N 2.76Å; F788-Q792 WeakPolarHBondContact O-CG 3.34Å; F788-Q792 PolarHBondContact O-N 2.92Å; F788-Q792 VanDerWaalsContact O-N 3.15Å
789I47.4Very low41.2Very low101 Ų101118.9 Ų118.952%0.51863%0.629SS.*Hα-helixtrans-69.1-35.7172-67.7168.1000111S785 N787 Q792 L793S785-I789 WeakPolarHBondContact O-CG1 3.4Å; S785-I789 PolarHBondContact O-N 3.48Å; S785-I789 VanDerWaalsContact O-N 3.08Å; N787-I789 VanDerWaalsContact C-N 3.33Å; N787-I789 PolarHBondContact O-N 3Å; I789-Q792 PolarHBondContact O-N 3.38Å; I789-L793 HydrophobicContact CG2-CD1 3.84Å; I789-L793 HydrophobicContact CG2-CG 4.4Å; I789-L793 WeakPolarHBondContact O-CB 3.46Å; I789-L793 WeakPolarHBondContact O-CG 3.36Å; I789-L793 PolarHBondContact O-N 3.19Å
790S44.8Very low40.8Very low70 Ų70120.7 Ų120.749%0.4964%0.636SS.*Hα-helixtrans-66.6-41.9175.9-60.20000112.1E786 N787 L793 C794E786-S790 WeakPolarHBondContact O-CB 3.5Å; E786-S790 PolarHBondContact O-N 3.47Å; E786-S790 PolarHBondContact O-OG 3.1Å; N787-S790 WeakPolarHBondContact O-CB 3.47Å; N787-S790 PolarHBondContact O-N 2.81Å; N787-S790 VanDerWaalsContact O-N 3.09Å; S790-L793 PolarHBondContact O-N 3.42Å; S790-C794 WeakPolarHBondContact O-CB 3.5Å; S790-C794 PolarHBondContact O-N 3.49Å
791E43.2Very low40.3Very low128 Ų128124.5 Ų124.560%0.59865%0.645SS**Hα-helixtrans-67.9-33.7176.2-70.3-174125.500113N787 N795N787-E791 PolarHBondContact O-N 3.07Å; E791-N795 PolarHBondContact O-ND2 2.82Å
792Q43.1Very low40Very low113 Ų113122.5 Ų122.553%0.52865%0.647SS.*Hα-helixtrans-70.1-42173.2-74-68.4-42.100112.3F788 I789 N795F788-Q792 WeakPolarHBondContact O-CG 3.34Å; F788-Q792 PolarHBondContact O-N 2.92Å; F788-Q792 VanDerWaalsContact O-N 3.15Å; I789-Q792 PolarHBondContact O-N 3.38Å; Q792-N795 PolarHBondContact O-N 3.29Å
793L42.5Very low39.6Very low118 Ų118123.3 Ų123.362%0.61866%0.657SS**Hα-helixtrans-71.2-31.6179.8-70.7173.3000113.1I789 S790 N795 L796I789-L793 HydrophobicContact CG2-CD1 3.84Å; I789-L793 HydrophobicContact CG2-CG 4.4Å; I789-L793 WeakPolarHBondContact O-CB 3.46Å; I789-L793 WeakPolarHBondContact O-CG 3.36Å; I789-L793 PolarHBondContact O-N 3.19Å; S790-L793 PolarHBondContact O-N 3.42Å; L793-N795 PolarHBondContact O-N 3.26Å; L793-L796 PolarHBondContact O-N 3.01Å
794C39.2Very low39.3Very low104 Ų104126.4 Ų126.470%0.70367%0.672SS**Hα-helixtrans-63.9-23.2172.3-88.20000113.9S790S790-C794 WeakPolarHBondContact O-CB 3.5Å; S790-C794 PolarHBondContact O-N 3.49Å
795N43.4Very low39.1Very low134 Ų134125.7 Ų125.772%0.71768%0.678SS**THydrogen-bonded Turntrans-92.6-3.4-178.9-76.9-66.7000114.5E791 Q792 L793E791-N795 PolarHBondContact O-ND2 2.82Å; Q792-N795 PolarHBondContact O-N 3.29Å; L793-N795 PolarHBondContact O-N 3.26Å
796L40.5Very low38.7Very low138 Ų138129.8 Ų129.872%0.72370%0.695SS**SBendtrans-112.94.3177-70.6168.3000113.6L793L793-L796 PolarHBondContact O-N 3.01Å
797G36.2Very low38.2Very low67 Ų67135.5 Ų135.569%0.69171%0.713SS**SBendtrans-93.5-8.8-178.100000116.3
798R34.3Very low37.8Very low241 Ų241135 Ų13591%0.90972%0.723SS**  trans-101.295177.9-81.5-178.6168.2148.8-4.8110.7
799V39.2Very low37.5Very low131 Ų131134.6 Ų134.679%0.79473%0.733SS**  trans-114.4127.8163.3177.80000107.4
800D34.1Very low37Very low142 Ų142137.6 Ų137.676%0.75974%0.744SS**  trans-62.2144.2-167.3-65.7-69.4000114.3
801R31.9Very low36.7Very low252 Ų252142.5 Ų142.595%0.95176%0.76SS**  trans-125.338.2179.9-146.9179.4-166.7-164.23.4112.4
802S31Very low36.4Very low102 Ų102141.1 Ų141.171%0.71376%0.764SS**  trans-146.860.8-169.954.30000113.2
803S32.4Very low36.2Very low106 Ų106141.2 Ų141.274%0.74178%0.777SS**  trans-157.153.3176.661.90000113.8
804V34.4Very low36Very low139 Ų139141 Ų14184%0.84279%0.786SS**  trans-132.364.8174.8-167.10000111.4
805T36.7Very low36.2Very low125 Ų125141.5 Ų141.577%0.76779%0.787SS**SBendtrans-153.5129.9165.69.10000110.7
806N31.8Very low35.8Very low144 Ų144140.4 Ų140.477%0.7779%0.79SS**  trans52.9107.1160.6-55.2-25000119.2
807Y31.9Very low35.7Very low244 Ų244139.6 Ų139.696%0.95780%0.796SS**  trans-159.9165134.4-106.7-66.9000112
808A35.4Very low35.8Very low95 Ų95140.1 Ų140.179%0.78579%0.794SS**  trans68.969.4164.800000119
809T33.5Very low35.9Very low132 Ų132137.8 Ų137.881%0.8179%0.791SS**  trans-58.9133.3147.5-470000111
810Q38.1Very low35.8Very low164 Ų164137.7 Ų137.777%0.76679%0.791SS**  trans160.7155.4130.5-90.8179.876.800114.4
811Q38.6Very low36Very low174 Ų174135.8 Ų135.881%0.81379%0.788SS**  trans66.4146.2168.3-64.4168.937.800118
812S35.9Very low36.1Very low98 Ų98130.6 Ų130.669%0.68578%0.779SS**  179.1155.1-52.442.70000109.2
813S38.7Very low36.4Very low116 Ų116131.1 Ų131.181%0.81178%0.781SS**  trans69.4145.8178.279.50000116.3
814S39.1Very low36.7Very low114 Ų114132.5 Ų132.580%0.79779%0.785SS**  cis-156.5157-19.6-99.80000110.5
815P42.4Very low36.8Very low113 Ų113134.5 Ų134.573%0.73479%0.785SS**  trans-109.6166.2-170.340.4-34.2000115
816S36Very low36.7Very low111 Ų111133.5 Ų133.578%0.77678%0.783SS**  160.9163.4128.1-75.50000115.4
817S37.9Very low36.7Very low122 Ų122138 Ų13885%0.85379%0.789SS**  trans77139.6165.476.40000118.2
818A38Very low37Very low77 Ų77132 Ų13264%0.63678%0.783SS**  cis-163.3176.3-15.500000112.5
819F37.2Very low36.8Very low193 Ų193134.3 Ų134.385%0.84679%0.788SS**  trans86.189.3163.3-65.3-73.8000121.1
820T36.3Very low36.8Very low129 Ų129134.2 Ų134.279%0.79178%0.782SS**  trans-29.8162.1130.753.30000115.6
821S38.4Very low36.7Very low101 Ų101136.1 Ų136.171%0.70678%0.783SS**  cis-145.2-171.919.459.20000110
822N35Very low36.8Very low143 Ų143134.5 Ų134.577%0.76579%0.785SS**  cis-164.714522.3-144.17.8000110.6
823P36.9Very low36.6Very low114 Ų114140.7 Ų140.774%0.7480%0.795SS**  trans-119.7132.3179.937.2-25.3000115.6
824T38.4Very low36.3Very low134 Ų134146.9 Ų146.982%0.82280%0.8SS**  trans-150.4127.2167.91.30000115.3
825Q35.9Very low36.3Very low181 Ų181148 Ų14885%0.84680%0.797SS**  trans-16.6145.1156.6-45169.79.700115.9
826S36.1Very low36Very low105 Ų105151.1 Ų151.173%0.73481%0.807SS**  -178.4164.152.252.80000113.9
827R31.9Very low35.9Very low237 Ų237157.4 Ų157.489%0.89481%0.814SS**  trans19.2116.3156.8-66.2174.1170.7165.4-4.2117.6
828S36.7Very low35.7Very low119 Ų119160.5 Ų160.583%0.83281%0.814SS**  -175.1150.872.238.60000111.5
829T32Very low35.6Very low144 Ų144168.1 Ų168.188%0.88383%0.828SS**  trans-124.1110.9-170.950.50000112.1
830D33.7Very low35.5Very low130 Ų130165.3 Ų165.370%0.69583%0.827SS**  trans-160.1158.3155.9-1587.4000111.7
831R34.8Very low35.4Very low204 Ų204167.2 Ų167.277%0.7783%0.826SS**SBendtrans49.296.4165.1-62.5164.5-152-161-0.9118.5
832T40.5Very low35.4Very low140 Ų140166.4 Ų166.486%0.85982%0.819SS**SBend168.461113.137.20000113.2
833Y31.8Very low35.3Very low228 Ų228169.9 Ų169.989%0.89482%0.823SS**  trans-156.998.6158.1-114.9-79000108.4
834R33.5Very low34.9Very low245 Ų245169.4 Ų169.493%0.92582%0.822SS**  trans-14320.4-178.6-142.8-169.9-167.6-164.54.1114.9
835D38Very low34.5Very low138 Ų138167.6 Ų167.674%0.73882%0.815SS**SBendtrans-122.8162.6170.8-72.6-71.2000109.5
836L37.5Very low34.6Very low178 Ų178169 Ų16993%0.93281%0.814SS**SBendtrans67.630.5178.7-55.1173.5000117.1
837R33.5Very low34.6Very low244 Ų244171.3 Ų171.392%0.92182%0.818SS**  trans-13933166.5-132.1-178-157.3-91.63.1116.4
838Q34.2Very low35.1Very low186 Ų186166 Ų16687%0.86981%0.808SS**  trans-133.2100.2168-80.5179.9-62.500110.4
839Y35.5Very low35Very low238 Ų238168.2 Ų168.293%0.93381%0.81SS**  trans17762.4152.7-100.5-61.2000109.4
840V34.3Very low35.2Very low133 Ų133166.5 Ų166.581%0.80680%0.803SS**  trans-148.3143.5174.5-172.60000106.5
841E34.4Very low35.6Very low169 Ų169167.9 Ų167.979%0.7981%0.805SS**  trans70.7153.5-178.7-64.7-69.39400115.6
842P39.4Very low35.6Very low84 Ų84164.1 Ų164.155%0.54581%0.807SS.*  -138.4-167.8-69.229.3-5.9000113.8
843Y31.8Very low35.4Very low216 Ų216164.1 Ų164.185%0.84780%0.801SS**  trans69.4153.9173.5-62.6-91.1000117.3
844S29.6Very low35.4Very low104 Ų104161.8 Ų161.873%0.72780%0.798SS**  cis-170.9127.7-29.952.30000110.8
845S30.5Very low35.4Very low97 Ų97158.4 Ų158.468%0.67880%0.798SS**  trans-178.3104.5155.9175.30000109.1
846Y37.9Very low35.1Very low211 Ų211160.8 Ų160.883%0.82780%0.804SS**  trans-149.7113.9165-85.9-80.2000107.4D848Y846-D848 VanDerWaalsContact C-N 3.34Å; Y846-D848 PolarHBondContact O-N 3.31Å
847D36.1Very low34.8Very low153 Ų153160.5 Ų160.582%0.81880%0.803SS**  trans-85.576.7172.4-60.8-73.3000108.9D849D847-D849 PolarHBondContact O-N 3.22Å
848D41.1Very low34.7Very low126 Ų126154.7 Ų154.767%0.67480%0.799SS**  trans-88.581.7177.7-88.1-61.8000111.3Y846 C850Y846-D848 VanDerWaalsContact C-N 3.34Å; Y846-D848 PolarHBondContact O-N 3.31Å; D848-C850 PolarHBondContact O-N 3.35Å
849D35.8Very low34.8Very low164 Ų164154.5 Ų154.588%0.87780%0.803SS**  trans-67.376.6166.7-82-43.4000110.9D847D847-D849 PolarHBondContact O-N 3.22Å
850C35.4Very low34.8Very low108 Ų108152.1 Ų152.173%0.7380%0.801SS**  trans-144.5105.4172.9-86.40000111.8D848D848-C850 PolarHBondContact O-N 3.35Å
851E41.6Very low35Very low159 Ų159153.3 Ų153.374%0.74380%0.802SS**  trans-64.7135.3175-70.6-171.6117.100112.9L853E851-L853 HydrophobicContact CB-CG 4.09Å; E851-L853 PolarHBondContact O-N 2.88Å
852P35Very low35Very low125 Ų125149.6 Ų149.681%0.81280%0.8SS**  trans-88.179.6161.934.9-31000110.5E854P852-E854 VanDerWaalsContact C-N 3.33Å; P852-E854 PolarHBondContact O-N 3.04Å
853L36.4Very low34.8Very low141 Ų141153.4 Ų153.474%0.73882%0.816SS**  trans-79.575.9173.4-71.6-179.4000112.4E851E851-L853 HydrophobicContact CB-CG 4.09Å; E851-L853 PolarHBondContact O-N 2.88Å
854E31.6Very low35.1Very low179 Ų179153.8 Ų153.884%0.83682%0.816SS**  trans-126.5150.8152.6-75.6-162.1127.600109.3P852P852-E854 VanDerWaalsContact C-N 3.33Å; P852-E854 PolarHBondContact O-N 3.04Å
855L33.2Very low35.5Very low174 Ų174156.7 Ų156.791%0.91182%0.821SS**SBendtrans67.1106.4-171.1-40.9174.1000112.1
856E32.7Very low35.7Very low187 Ų187159 Ų15987%0.87483%0.831SS**SBendcis-141.6150.122.3-54.9177.8113.800111.4
857L30.6Very low35.5Very low173 Ų173152.2 Ų152.291%0.90683%0.825SS**SBendtrans16263.6148.9-91.9163.9000111.7
858S32.9Very low35.5Very low121 Ų121150.8 Ų150.885%0.84683%0.827SS**  trans-156.332.5168.1-81.90000113.3
859L34.4Very low35.1Very low182 Ų182152 Ų15295%0.95384%0.84SS**SBendtrans-103.215175.9-140.779.5000113.8
860E36.8Very low35.1Very low189 Ų189148.1 Ų148.188%0.88383%0.83SS**SBendtrans-140.548.3-176.2-158.2169.1177.500113.1
861L38.1Very low35.2Very low158 Ų158149.1 Ų149.183%0.82783%0.833SS**SBendtrans-156.2-4.3168.8-116.3161.6000116D863L861-D863 VanDerWaalsContact C-N 3.33Å; L861-D863 PolarHBondContact O-N 2.98Å
862A34.7Very low34.9Very low91 Ų91147.4 Ų147.475%0.75283%0.834SS**SBendtrans-75.7-17.6-179.300000114.2R864A862-R864 PolarHBondContact O-N 3.47Å
863D35.9Very low34.9Very low163 Ų163145.6 Ų145.687%0.87282%0.824SS**THydrogen-bonded Turntrans-85.833.7-162.1-143.623.4000114.4L861L861-D863 VanDerWaalsContact C-N 3.33Å; L861-D863 PolarHBondContact O-N 2.98Å
864R37.2Very low34.9Very low225 Ų225146.2 Ų146.285%0.84983%0.828SS**THydrogen-bonded Turntrans-135.90.4-174.5-79.9-166.464.1169.6-2.4117.3A862A862-R864 PolarHBondContact O-N 3.47Å
865I37.7Very low35.1Very low164 Ų164142.1 Ų142.184%0.84182%0.82SS**SBendtrans-13335.2174.2-33.9-178.3000112.6
866V35.9Very low35.4Very low145 Ų145139.4 Ų139.488%0.87981%0.81SS**SBendtrans-126.977.7165-175.40000108.3
867G33.6Very low35.6Very low69 Ų69138 Ų13871%0.71181%0.809SS**SBendtrans179.639.8-170.200000118.2
868S35.5Very low35.9Very low123 Ų123135 Ų13586%0.8680%0.8SS**  trans-174.761.8158.5-83.70000112.4
869T33.1Very low36.2Very low152 Ų152137 Ų13793%0.93380%0.799SS**  trans-10295167.835.40000110.3
870A36.1Very low36.3Very low82 Ų82134 Ų13468%0.67879%0.789SS**  trans-141.7128.2175.100000111.2
871T37Very low36.1Very low129 Ų129130.1 Ų130.179%0.79178%0.782SS**  trans59.9126.8155.9540000118.6
872T35.3Very low36.1Very low123 Ų123128.1 Ų128.176%0.75578%0.781SS**  cis-165.2147.8-3.4-10.30000112.1
873S34.9Very low35.9Very low87 Ų87137.2 Ų137.261%0.60881%0.805SS**  trans49.6131.8142.766.90000124.3
874N35.1Very low35.9Very low154 Ų154136 Ų13682%0.82480%0.801SS**  trans72.6147.9139-62.1-2.5000119.8
875S36.6Very low35.8Very low94 Ų94131.3 Ų131.366%0.65780%0.799SS**  cis-162.2142.1-11.947.50000113.2
876T40.4Very low35.7Very low117 Ų117129.4 Ų129.472%0.71880%0.796SS**  trans14.1132.2151.555.50000122
877N36.4Very low35.7Very low157 Ų157128.5 Ų128.584%0.8479%0.791SS**  -177.7123.6112.7-92.1-11.6000114
878P37.4Very low35.8Very low110 Ų110132.3 Ų132.371%0.71480%0.797SS**  trans-113.8166158.138.7-29.5000112
879I37.8Very low35.8Very low162 Ų162132.9 Ų132.983%0.83179%0.792SS**  trans176.4147.6133.3-93.3160.5000112.5
880T36.5Very low36Very low121 Ų121131.5 Ų131.574%0.74278%0.782SS**  trans-60.1168.2-171.959.90000118
881S33.9Very low36Very low107 Ų107135.3 Ų135.375%0.74879%0.79SS**  -178.3154.1108.244.10000113.9
882S37Very low35.9Very low115 Ų115135.8 Ų135.880%0.80479%0.79SS**  trans62.3133.2-176.168.30000116.2
883F29.7Very low36Very low283 Ų283137 Ų137100%1.24179%0.793SS**  cis-113.401-121-88.2000111.9

Retrieved 883 of 883 residues in 619.4 ms (Link to these results)