A0A3Q0KLD8_SCHMA Loading...

Ets-related

AlphaFold DB , UniProt , Accession A0A3Q0KLD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 687 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
1M33.6Very low34.4Very low232 Ų232158 Ų158100%1.14385%0.846SS**  0119.10-64.9163.4169.200107
2F35.3Very low34.1Very low185 Ų185157.1 Ų157.181%0.81184%0.841SS**  cis-106.6168.3-11.5-91.9-111.4000110.4
3S30.6Very low34Very low117 Ų117161.7 Ų161.782%0.81885%0.849SS**  trans-160.691.4174.6-73.60000111.2
4D38.8Very low33.9Very low137 Ų137164.2 Ų164.273%0.73385%0.85SS**  trans-90.8109.5176.6-68.3-63.5000111.5
5K35.7Very low33.8Very low204 Ų204165 Ų16589%0.88784%0.844SS**  trans-97.7100.6166.1-75.7178.7177.4172.90108.7
6V37.7Very low33.6Very low126 Ų126166.4 Ų166.476%0.76484%0.843SS**  trans-100104.5174179.80000110.2
7F36Very low33.6Very low199 Ų199161.8 Ų161.887%0.87384%0.836SS**  trans46.6124.8153.9-76.5-95.1000122.1
8K34.7Very low33.3Very low184 Ų184162 Ų16280%0.884%0.839SS**  trans-90.6155.9150-70.5-176.8174.5-177.20110.3
9N31.6Very low33.1Very low168 Ų168158.2 Ų158.290%0.89883%0.833SS**  trans118.8125.5152.5-62.2-14.9000114.1
10G31.8Very low33.3Very low83 Ų83156.9 Ų156.986%0.85683%0.832SS**  trans172.168.9-17700000110.6
11S32.2Very low33.2Very low103 Ų103156.8 Ų156.872%0.7283%0.832SS**  trans-83.3153.7-178.448.20000112.7
12N31.6Very low33.2Very low147 Ų147156.8 Ų156.879%0.78682%0.82SS**  trans70.897.3171.3-52.1-43.6000117.3
13F31.8Very low33.1Very low217 Ų217156.4 Ų156.495%0.95282%0.822SS**  -136.8131.9125.8-117.6-84.8000109.7
14K33.5Very low33.2Very low197 Ų197157 Ų15786%0.85783%0.825SS**  trans-128.2104-175.1173.6-171.1175.2178.20109.5
15K32.5Very low32.9Very low176 Ų176156.9 Ų156.977%0.76583%0.83SS**  trans-178.3155.1143.9-111.9171.4175.6-174.30114.8
16F30.1Very low32.8Very low187 Ų187154.9 Ų154.982%0.8283%0.829SS**  trans79.8135.7152.2-82.1-60.3000123.1
17A33.9Very low32.5Very low89 Ų89158.6 Ų158.674%0.73684%0.838SS**  trans83.6111.1149.800000118.8
18D27.6Very low32.5Very low165 Ų165153.3 Ų153.388%0.88283%0.831SS**  trans-64.8135.9158-47-92.9000111
19A29.5Very low32.4Very low89 Ų89149.7 Ų149.774%0.73683%0.829SS**  trans168.8116.314500000110.8
20T37.8Very low32.4Very low132 Ų132147.3 Ų147.381%0.8183%0.825SS**  trans-163.855.71463.30000110.6W22T20-W22 PolarHBondContact O-N 3.3Å
21D30.1Very low32.5Very low155 Ų155151.1 Ų151.183%0.82983%0.825SS**  trans-73.671.5166.6-175.522.6000109.9
22W35.5Very low32.7Very low232 Ų232153.4 Ų153.488%0.87983%0.829SS**  trans-129.380.9-171-102.142000110.8T20T20-W22 PolarHBondContact O-N 3.3Å
23M31.7Very low32.7Very low177 Ų177155.8 Ų155.887%0.87283%0.833SS**SBendtrans174.766.4135.5-96.9-169.2169.300112.6
24C32.5Very low32.8Very low129 Ų129153.7 Ų153.787%0.87283%0.831SS**  trans-14569.8166-102.50000111.3
25T33.4Very low32.7Very low136 Ų136153.2 Ų153.283%0.83483%0.831SS**  trans-11877.3173.352.90000110.7
26D34.4Very low32.9Very low161 Ų161149.3 Ų149.386%0.86183%0.826SS**  trans-135.666.9167-92.6-46000109.2
27Q30.3Very low33.1Very low204 Ų204147.6 Ų147.695%0.95383%0.826SS**  trans-106.868.7158.9-80.1-162.1-14.200109.4
28A35.5Very low33.3Very low89 Ų89148.4 Ų148.474%0.73682%0.821SS**  trans-83.4109.9164.800000108.8S30A28-S30 PolarHBondContact O-N 3.48Å
29S33.8Very low33.7Very low108 Ų108147.9 Ų147.976%0.75581%0.813SS**  trans-51.2115.4-173.450.90000115.2L31S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 3.22Å
30S31.4Very low34Very low117 Ų117150 Ų15082%0.81881%0.812SS**  trans-74.277.8163.3-70.20000111.5A28A28-S30 PolarHBondContact O-N 3.48Å
31L33.7Very low33.9Very low164 Ų164151.7 Ų151.786%0.85981%0.811SS**  trans-114.286.4161.4-81.3179.8000109.8S29S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 3.22Å
32N35.5Very low34.2Very low151 Ų151150.9 Ų150.981%0.80781%0.806SS**  trans-85.1138.8170.7-85-50.3000110.9
33K33.2Very low34.3Very low197 Ų197145 Ų14586%0.85780%0.797SS**  trans71.988.2143.9-163.3178.6-172.1177.30117.9
34L32.8Very low34.5Very low173 Ų173143.6 Ų143.691%0.90679%0.793SS**  trans-152.191.2142.8-128.7155.8000111
35E31.4Very low34.6Very low187 Ų187149 Ų14987%0.87479%0.794SS**  trans-89.3130.2161.7-72.6178.6108.200109.2
36S37.5Very low34.7Very low94 Ų94146.3 Ų146.366%0.65778%0.782SS**  163136.2125.351.40000111.5
37N34.4Very low34.8Very low151 Ų151146.3 Ų146.381%0.80778%0.781SS**  trans63.7147.3144.9-70.12.9000120.5
38V37.4Very low34.9Very low106 Ų106141.8 Ų141.864%0.64277%0.772SS**  cis-167.4144.5-22.888.90000108.9
39H36.5Very low35Very low154 Ų154140.5 Ų140.571%0.71377%0.767SS**  trans55.7161.8160.3-71.5-63.7000118.8
40D34.6Very low35.2Very low132 Ų132141.4 Ų141.471%0.70677%0.768SS**  cis-154.7-173.2-8.3-122.1-19.5000112.2
41E35.9Very low35.3Very low168 Ų168142.3 Ų142.379%0.78576%0.764SS**  trans98.2144.8157.6-75.7-60.1165.600121.1
42L37Very low35.3Very low138 Ų138142.3 Ų142.372%0.72376%0.759SS**  trans-126.7-158.8-164.1-101172.8000108.4
43P38.3Very low35.3Very low109 Ų109142.7 Ų142.771%0.70876%0.761SS**  cis-144.4156.411.542.6-21.7000120.7
44L35Very low35.3Very low147 Ų147140.7 Ų140.777%0.7776%0.756SS**  trans25.1126.9134.7-52.9176.5000122.2
45R35.6Very low35.1Very low242 Ų242139.1 Ų139.191%0.91375%0.749SS**  -179151.8127.9-100.3-179.7177.9-146.4-1.4109.5
46S34.9Very low35.2Very low81 Ų81135.8 Ų135.857%0.56675%0.746SS**  cis-179.9152.6-22.248.80000110.4
47L36.7Very low34.9Very low161 Ų161139.8 Ų139.884%0.84375%0.752SS**  trans68.3158.9162.2-60.4154.6000117
48S32.7Very low34.9Very low109 Ų109140.5 Ų140.576%0.76276%0.755SS**  cis-175.6144-3356.10000110.8
49G37.3Very low34.5Very low61 Ų61140.4 Ų140.463%0.62976%0.755SS**  trans141.5110.4167.100000113
50T38.6Very low34.4Very low127 Ų127144 Ų14478%0.77976%0.764SS**  67.1131.472.864.80000114.8
51N33.5Very low34.2Very low137 Ų137145.3 Ų145.373%0.73377%0.766SS**  cis-160.2166-5.1-113.8-9.4000113.5
52Q33.6Very low34.1Very low164 Ų164145.6 Ų145.677%0.76677%0.766SS**  trans-30.4155.6169.1-58.7159.9-8.100119.5
53L34.6Very low33.7Very low159 Ų159143.7 Ų143.783%0.83277%0.765SS**  trans158.5140.7135.6-84.8164.6000108.6
54M33.5Very low33.6Very low155 Ų155143.1 Ų143.176%0.76477%0.769SS**  cis-161.6162.7-17.6-160.360.8161.200108.6
55D28.9Very low33.3Very low140 Ų140146.7 Ų146.775%0.74977%0.774SS**  trans-68.4156.5176-48.6-93.7000114.5
56S33.1Very low33.3Very low117 Ų117144.3 Ų144.382%0.81877%0.77SS**  -160.9146.1116.6-166.70000111.9
57F30Very low33Very low177 Ų177145.9 Ų145.978%0.77678%0.781SS**  trans-75.8161.1162.3-78-120.7000110
58D34.4Very low32.8Very low166 Ų166143.2 Ų143.289%0.88878%0.776SS**  -158.3162.7117.1-121.1-32.3000113.3
59V30.9Very low32.9Very low104 Ų104143.3 Ų143.363%0.6377%0.772SS**  trans-123.2138.1-172.4170.50000110.5
60Y33.3Very low32.5Very low231 Ų231146.4 Ų146.491%0.90677%0.774SS**  trans-164.4149.3145.2-112-71.4000115
61H31.3Very low32.3Very low159 Ų159148.2 Ų148.274%0.73677%0.774SS**  trans-72.6147.6170.3-80.5-143.1000112.6
62H33.4Very low32.2Very low174 Ų174149.2 Ų149.281%0.80677%0.772SS**  -171.4157.7108.2-10574.3000116.8
63S28.2Very low32.2Very low98 Ų98148.7 Ų148.769%0.68577%0.773SS**  trans-60.8145.5-176.153.20000120.2
64A36.5Very low32.1Very low97 Ų97148.9 Ų148.980%0.80277%0.77SS**  -173.5119.3128.900000109.1
65Y28.8Very low32.1Very low222 Ų222150.8 Ų150.887%0.87177%0.769SS**  75.8127.562.1-106.9-74.4000117.6
66K34.7Very low32.2Very low192 Ų192150.7 Ų150.784%0.83578%0.776SS**  trans73.9132.4176.8-58.5-178.7177.8179.10116.2
67S28Very low32.2Very low113 Ų113155.6 Ų155.679%0.7978%0.776SS**  cis109.8112.85.9-1690000115.8
68S33.9Very low32.2Very low105 Ų105154.8 Ų154.873%0.73478%0.778SS**  trans-174.8116.8147.8-102.10000108
69T34.8Very low32.1Very low111 Ų111153.4 Ų153.468%0.68178%0.776SS**  61135.387.765.10000114.7
70N29.3Very low32Very low127 Ų127154 Ų15468%0.67978%0.779SS**  cis-162.6171.44.4-120.816.6000112.2
71E32.9Very low31.8Very low164 Ų164150 Ų15077%0.76677%0.774SS**  trans65.3154.9162.9-74.1149.8-140.900117.2
72F31.6Very low31.8Very low159 Ų159147.7 Ų147.770%0.69778%0.775SS**  cis-132.6130.317.7-154.3-90.5000111.3E74F72-E74 HydrophobicContact CE1-CB 4.35Å; F72-E74 HydrophobicContact CE1-CG 3.87Å; F72-E74 HydrophobicContact CZ-CG 4.23Å
73L33.2Very low31.9Very low152 Ų152147.7 Ų147.780%0.79678%0.78SS**  trans-153.672.4179.9-156.3170.6000111.4R75L73-R75 HydrophobicContact CD2-CG 4.45Å; L73-R75 PolarHBondContact O-N 3.42Å
74E32.8Very low32.2Very low163 Ų163151.5 Ų151.576%0.76278%0.784SS**  trans-80.1106.5177.3-76.9-159.4115.400112.8F72F72-E74 HydrophobicContact CE1-CB 4.35Å; F72-E74 HydrophobicContact CE1-CG 3.87Å; F72-E74 HydrophobicContact CZ-CG 4.23Å
75R33.3Very low32Very low196 Ų196154 Ų15474%0.7478%0.784SS**  trans-78.4144.4147.3-65.5175.9173.9-177.7-3.2108L73 R77L73-R75 HydrophobicContact CD2-CG 4.45Å; L73-R75 PolarHBondContact O-N 3.42Å; R75-R77 PolarHBondContact O-N 2.66Å
76P30.8Very low32.2Very low137 Ų137146.7 Ų146.789%0.8978%0.775SS**  trans-64.6103.4171.727.6-33.7000109.7
77R34.5Very low32.1Very low220 Ų220144.9 Ų144.983%0.8377%0.774SS**  trans-99.3132.7167.3-82.2-167.1168.9-150.3-2.5109.4R75 V79R75-R77 PolarHBondContact O-N 2.66Å; R77-V79 PolarHBondContact O-N 2.78Å
78I29.5Very low32.3Very low160 Ų160145.8 Ų145.882%0.82178%0.775SS**  trans-63.8120.6174.1-64162.8000108.3V80I78-V80 HydrophobicContact CG2-CG2 3.95Å
79V32.2Very low32.3Very low138 Ų138145.2 Ų145.284%0.83677%0.771SS**  trans-111.1102.8169.1179.50000108.2R77R77-V79 PolarHBondContact O-N 2.78Å
80V29.3Very low32.2Very low115 Ų115147.4 Ų147.470%0.69778%0.778SS**  trans-98.3114.8165.31730000107.5I78I78-V80 HydrophobicContact CG2-CG2 3.95Å
81N28.1Very low32.5Very low149 Ų149148.3 Ų148.380%0.79778%0.778SS**  trans-178.5166.3137.9-101.2-44.6000112.9
82S31.9Very low32.7Very low110 Ų110145.2 Ų145.277%0.76977%0.772SS**  trans73.160.4163.8-57.20000118.1
83I34.6Very low32.9Very low174 Ų174144 Ų14489%0.89277%0.772SS**  -110.7127.2122.7-63-177.6000107.2
84K35.6Very low33.1Very low178 Ų178143.4 Ų143.477%0.77477%0.77SS**  trans-116.3153.8-179.8-169-172.9175.3-179.10108.1
85N32.9Very low33.1Very low149 Ų149144.1 Ų144.180%0.79778%0.776SS**  trans85.5140.4179.9-42.4-30.4000113.8
86G33.4Very low33.2Very low68 Ų68139.9 Ų139.970%0.70178%0.776SS**  trans104.654.1-167.600000112.1
87L31.4Very low33.4Very low155 Ų155138.3 Ų138.381%0.81276%0.764SS**  74.5109.493.8-73.1171.5000114.1
88T33Very low33.3Very low131 Ų131135.3 Ų135.380%0.80476%0.76SS**  trans52.7134.3139.159.70000119.4
89S33.8Very low33.7Very low94 Ų94136.6 Ų136.666%0.65776%0.762SS**  cis-168.3156.429.268.30000113.5
90L32.9Very low33.8Very low156 Ų156139 Ų13982%0.81777%0.765SS**  trans65.4150.1153.7-60.3166.4000118
91H35.2Very low33.8Very low146 Ų146142.3 Ų142.368%0.67677%0.774SS**  cis-163.1137.8-26-170.5-77000108
92P36.7Very low34.1Very low100 Ų100140.7 Ų140.765%0.64978%0.775SS**  trans-90.5172177.237.2-36.2000113
93N36.6Very low34Very low132 Ų132143.8 Ų143.871%0.70678%0.782SS**  trans171.8157.2137.7-90.2-12.1000113.5
94N36.8Very low33.8Very low140 Ų140145.7 Ų145.775%0.74978%0.784SS**  trans67.1120.7173.8-56.5-7.4000115.3
95M31.8Very low33.9Very low178 Ų178147.1 Ų147.188%0.87779%0.79SS**  cis73.8124.940.1-156.8-169.2-47.400111
96S36.4Very low33.8Very low107 Ų107145.2 Ų145.275%0.74879%0.789SS**  cis-131.4-175.629.662.60000116.6
97T35.2Very low33.6Very low104 Ų104150.8 Ų150.864%0.63880%0.798SS**  trans-69.5179.4160.455.40000111.2
98E33.1Very low33.6Very low157 Ų157150.2 Ų150.273%0.73480%0.796SS**  cis-159.1166.514-138.9129.4-17500110.4
99E36.2Very low33.6Very low188 Ų188150 Ų15088%0.87980%0.795SS**  trans61.5151.4165-61.4176.515100118.1
100E34.8Very low33.4Very low189 Ų189152 Ų15288%0.88380%0.803SS**  cis-118.5162.7-4.2-76.7-166.5106.700112.3
101M29.4Very low33.1Very low184 Ų184154.4 Ų154.491%0.90680%0.803SS**  trans-93.7123.4164.5-67.7-177.3176.200111.6
102S33.6Very low32.8Very low115 Ų115152.5 Ų152.580%0.80480%0.802SS**  164.5120.6124.651.20000113.4
103L30.3Very low32.4Very low174 Ų174152.8 Ų152.891%0.91180%0.801SS**  trans162.964.7144.8-91161.5000111
104F30.6Very low32.1Very low215 Ų215155 Ų15594%0.94381%0.808SS**  trans-124.7105.9162.3-111.8-93.1000110
105K37.5Very low31.9Very low207 Ų207154 Ų15490%0.981%0.811SS**  trans-136.6141.9165-83.1-173.4176.6-179.40106.7
106S32.2Very low31.7Very low110 Ų110153 Ų15377%0.76981%0.81SS**  cis-163.3113.9-16-177.40000105.6
107M29.1Very low31.5Very low184 Ų184155.9 Ų155.991%0.90682%0.816SS**  trans-136.283-177.4-169.6165.779.500110.6
108D31.6Very low31.2Very low143 Ų143158 Ų15877%0.76582%0.823SS**  trans-126.3127.3175.3-93.6-57.9000111.3
109T31.8Very low31.4Very low128 Ų128159.3 Ų159.379%0.78583%0.83SS**  trans-92.8117.7174.3-59.10000108
110V30.7Very low31.3Very low135 Ų135155 Ų15582%0.81882%0.816SS**  trans-111.3118.4-178.3-177.90000111.1
111Y26.6Very low31.4Very low206 Ų206154 Ų15481%0.80881%0.811SS**  trans-111.7124.9171.7-110.7-66.6000110.2
112T28.7Very low31.5Very low107 Ų107151.8 Ų151.866%0.65680%0.803SS**  trans80.7118.4146.8-24.20000120.4
113T27.9Very low31.6Very low105 Ų105155.3 Ų155.364%0.64480%0.804SS**  trans72.3122.614448.50000124
114Q30.5Very low31.7Very low179 Ų179153.4 Ų153.484%0.83679%0.794SS**  trans55.3126134.4-70.7155.5-4000119
115S32.2Very low32Very low118 Ų118149.1 Ų149.183%0.82578%0.78SS**  -161.6173.863.350.60000114.3
116N28.4Very low31.8Very low158 Ų158145.6 Ų145.685%0.84577%0.771SS**  trans-79.7142.8176.7-70.1-46.5000112.5
117L32.3Very low32Very low167 Ų167145.7 Ų145.787%0.87477%0.767SS**  -156.9140.9123.9-146.766.5000112.3
118N28.4Very low32.4Very low149 Ų149143.9 Ų143.980%0.79776%0.761SS**  trans-90.6152.4169.2-73.1-48.3000110.8
119Q37.7Very low32.4Very low185 Ų185144.1 Ų144.186%0.86476%0.762SS**  trans148.3147.9150.5-84.1172.747.600108.8
120T32.8Very low32.6Very low98 Ų98146.1 Ų146.160%0.60177%0.766SS**  cis-170.6178.4-16.2-77.70000105.6
121Q36.6Very low32.7Very low166 Ų166144.8 Ų144.878%0.77676%0.759SS**  trans83105.7176.8-45.1-78.8-1500112.3
122N31.3Very low33.2Very low138 Ų138141 Ų14174%0.73876%0.757SS**  cis75.2137.748-72.1-37.6000116.1
123K36.1Very low33.4Very low190 Ų190144.2 Ų144.283%0.82677%0.765SS**  trans73.4150.4169.5-66.8176.5164.6-175.30114.7
124L33.9Very low33.8Very low134 Ų134147.3 Ų147.370%0.70278%0.775SS**  cis-155.3142.411.4-155.661000114.1
125I36.7Very low33.9Very low125 Ų125141.7 Ų141.764%0.64177%0.766SS**  trans62.9126.7145.5-79.4173.3000123.1
126N32.5Very low33.9Very low132 Ų132141.9 Ų141.971%0.70677%0.767SS**  trans26150.1131.5-35-14.6000120.3
127T35.9Very low34.2Very low112 Ų112138.4 Ų138.469%0.68776%0.76SS**  -167.9165.860.437.50000116
128N38.4Very low34.3Very low147 Ų147137.2 Ų137.279%0.78676%0.755SS**  trans108.3128.2150.8-59.1-40.9000118.7
129N31.2Very low34.5Very low148 Ų148134.7 Ų134.779%0.79175%0.749SS**  trans-124.5144.6-176-52.5-30.8000110.7
130I36.9Very low34.3Very low170 Ų170132.9 Ų132.987%0.87275%0.745SS**  trans-146.3113.4152.5-52.5-179.8000104.7
131T31.9Very low34.3Very low107 Ų107132 Ų13266%0.65674%0.743SS**  cis103.285.729.6-57.40000113
132T36.8Very low34.2Very low127 Ų127130.4 Ų130.478%0.77974%0.739SS**  trans-175.3117142.827.10000106.3
133E33.7Very low34.2Very low174 Ų174130.4 Ų130.481%0.81374%0.739SS**  59.4129.183.9-67-168.3-148.200113
134I34.8Very low34.1Very low169 Ų169127.2 Ų127.287%0.86773%0.731SS**  cis-144153.225.3-59.9168.4000110.4
135G33Very low33.8Very low62 Ų62129.7 Ų129.764%0.63973%0.732SS**  trans129.380.9146.600000120.7
136S33.6Very low33.6Very low121 Ų121134.1 Ų134.185%0.84674%0.741SS**  trans50.8116140.6-55.90000123.3
137A34.2Very low33.6Very low85 Ų85136.8 Ų136.870%0.70275%0.746SS**  56.6129.4124.300000120.5
138N34.4Very low33.6Very low142 Ų142139 Ų13976%0.75975%0.752SS**  cis-144.1154.75.7-74.9-49.1000108.2
139S31.4Very low33.3Very low96 Ų96138.8 Ų138.867%0.67175%0.751SS**  58126.960.11270000112
140L34.1Very low33.6Very low148 Ų148138.2 Ų138.278%0.77575%0.747SS**  cis-149.3130.52.9-93.3146.6000107.7
141S33.8Very low33.4Very low80 Ų80137.3 Ų137.356%0.55974%0.74SS**  66.8135.1101.886.90000118.7
142N33.9Very low33.5Very low132 Ų132139.9 Ų139.971%0.70675%0.749SS**  trans64.7114.1149.3-56.9-13.3000117
143N31.8Very low33.5Very low138 Ų138137.6 Ų137.674%0.73875%0.751SS**  103.3153.754.8-85.812.1000111.9
144D33.4Very low33.5Very low122 Ų122135.8 Ų135.865%0.65275%0.752SS**  trans80.496.5147.2-74.916.1000122.6
145Y27.5Very low33.5Very low186 Ų186132.7 Ų132.773%0.72975%0.745SS**  88.4138.3126.5-75.2-60.1000123.4
146R33.4Very low33.6Very low219 Ų219135.2 Ų135.283%0.82675%0.749SS**  trans81.9132.3161.6-62.7143.6-165.1-1504.4114.2
147K30.9Very low33.5Very low188 Ų188137.8 Ų137.882%0.81775%0.745SS**  60.3120.873.7-138.3-179.7-174.3-176.40108.5
148I35.5Very low33.5Very low158 Ų158142.8 Ų142.881%0.8175%0.746SS**  -148.4-167.758.1-16.1176.4000112.5
149N32.5Very low33.6Very low143 Ų143142.3 Ų142.377%0.76574%0.743SS**  trans-97.2168.7-172.7-54.3-16000113.6
150L37.5Very low33.8Very low136 Ų136141.3 Ų141.371%0.71274%0.736SS**  116121.6124.8-145.767.3000119.9
151E33.4Very low34Very low151 Ų151142.2 Ų142.271%0.70674%0.736SS**  trans69.1138.3145.5-77.4157.4-16300125.9
152D34.2Very low34.1Very low160 Ų160145.1 Ų145.186%0.85675%0.745SS**  trans67.5139.5144-65.32000124.8
153G36.7Very low34.1Very low80 Ų80144.9 Ų144.983%0.82575%0.749SS**  trans161.967.7175.100000117.1
154T33.8Very low34.5Very low135 Ų135143.1 Ų143.183%0.82875%0.745SS**  trans-63148176.950.90000115.8
155S35.1Very low34.6Very low104 Ų104143 Ų14373%0.72775%0.749SS**  162113.6112.7540000118.6
156T34.4Very low35.1Very low116 Ų116140.3 Ų140.371%0.71275%0.747SS**  66.7148.4126.4-31.60000124.1
157F32.1Very low35.3Very low175 Ų175135.3 Ų135.377%0.76874%0.737SS**  trans91.2140.4164.3-66.1-95.1000119.3
158R33.8Very low35.4Very low190 Ų190133.2 Ų133.272%0.71773%0.734SS**  cis-174132.9-22.5178.7174.8-179-1715.8112.8
159N36.7Very low35.5Very low131 Ų131131.7 Ų131.770%0.70174%0.738SS**  trans59.6159.6156.8-70.427.1000120.6
160S34.3Very low35.5Very low76 Ų76128 Ų12853%0.53173%0.734SS.*  cis-176.5161.9-25.5-85.30000110.9
161H39.4Very low35.3Very low166 Ų166132.1 Ų132.177%0.76974%0.741SS**  trans64.8135.9154.7-67.5-57.1000118.1
162N35.4Very low35.3Very low141 Ų141131.2 Ų131.275%0.75474%0.741SS**  cis-154.6173.212-96.6-24.7000112.8
163T33.3Very low35.1Very low128 Ų128130.8 Ų130.879%0.78574%0.736SS**  trans-130-171.4-178.5590000110.3
164P40.4Very low35.1Very low101 Ų101130.7 Ų130.766%0.65674%0.735SS**  cis-132.8-159-23.732.8-10.6000113
165T36.1Very low35Very low120 Ų120131 Ų13174%0.73673%0.73SS**  trans71.5148.3154.145.40000118.6
166D38.2Very low35.1Very low128 Ų128133.8 Ų133.868%0.68474%0.738SS**  cis-157.7160.613.2-136.6-0.7000116.7
167N37.3Very low34.9Very low114 Ų114135.2 Ų135.261%0.6174%0.741SS**  trans55.1106.5146-78.4-46.4000126.6
168N33.9Very low35.1Very low144 Ų144136.8 Ų136.877%0.7775%0.747SS**  73.4145.4117.1-85.7-47.5000126.6
169S36.7Very low34.9Very low127 Ų127134.1 Ų134.189%0.88875%0.752SS**  trans69.4152.5169.7770000118.1
170G32.8Very low35Very low65 Ų65134.9 Ų134.967%0.6776%0.762SS**  cis161.8157-9.500000113.6
171Y33.9Very low34.7Very low223 Ų223138.3 Ų138.388%0.87577%0.774SS**  trans86121.6168.3-80.8-108.6000122.6
172L33.7Very low34.4Very low132 Ų132138 Ų13869%0.69178%0.777SS**  trans59108.8142.2-63.8178000124.6
173I28.8Very low34.2Very low150 Ų150139.4 Ų139.477%0.76978%0.779SS**  36.4120.1113.3-54.4177.9000118.6
174G36.2Very low34.3Very low78 Ų78140 Ų14080%0.80478%0.777SS**  trans-154.4105.8157.900000112.2
175I32.3Very low33.9Very low141 Ų141142.3 Ų142.372%0.72378%0.783SS**  trans-81.2134.3177-57.2167.9000109.3
176N36.8Very low34Very low164 Ų164141.8 Ų141.888%0.87778%0.782SS**  trans-153.7132.2160.3-94.8-52.2000112.1
177N30.5Very low33.7Very low146 Ų146144 Ų14478%0.78179%0.788SS**  trans-98.3136.6178.6-59.9-35.3000110.7
178K36.9Very low33.5Very low208 Ų208148.4 Ų148.490%0.90480%0.802SS**  trans-162.8138.2143.6-118.4164.3-174.2174.50113.8
179T29.5Very low33.4Very low134 Ų134146.7 Ų146.782%0.82280%0.798SS**  trans-78.1136.3170.331.60000111.5
180T38.7Very low33.3Very low146 Ų146144.7 Ų144.790%0.89678%0.784SS**  trans-131.1169.3150.746.50000108.5
181N28.9Very low33.4Very low149 Ų149150.2 Ų150.280%0.79779%0.789SS**  trans-140.3160.4-147.7-145.1-19000111.8
182L33Very low33.4Very low159 Ų159145.1 Ų145.183%0.83278%0.782SS**  trans70.3155.9-179.2-46.5170000113.6
183H31.2Very low33.4Very low170 Ų170145.8 Ų145.879%0.78778%0.781SS**  cis-138.2165.414.6-172.279.7000112.1
184L34Very low33.6Very low142 Ų142149.5 Ų149.574%0.74379%0.787SS**  trans-96.4152.1-173.7-70.1156000112.7
185N31.9Very low33.5Very low148 Ų148150.6 Ų150.679%0.79178%0.778SS**  -172.7160.6108.9-94.8-19.8000113.4
186P38Very low33.4Very low110 Ų110153.7 Ų153.771%0.71478%0.782SS**  trans-118.2173.6-165.442.5-31.5000114.3
187E33.2Very low33.4Very low173 Ų173151.1 Ų151.181%0.80877%0.774SS**  177.8127.1124.6-102-175.7166.500112.8
188F33.6Very low33.5Very low207 Ų207148.8 Ų148.891%0.90877%0.769SS**  -167.1150.4124.9-124.7-91.6000109.4
189T31.9Very low33.3Very low109 Ų109146 Ų14667%0.66976%0.761SS**  trans-139.4174.5-159.964.50000114.5
190S34.8Very low33.6Very low85 Ų85147 Ų14759%0.59476%0.761SS**  trans96.4139.9174.5-57.80000116
191K34.7Very low33.1Very low180 Ų180143.8 Ų143.878%0.78374%0.744SS**  cis-166.1156.9-7.5-100155.6-165.9145.80104.6
192T34Very low33.3Very low117 Ų117144 Ų14472%0.71874%0.74SS**  cis-173.8168.62.220.80000106.5
193Q32.9Very low33.2Very low145 Ų145143.7 Ų143.768%0.67874%0.739SS**  cis167.5121.7-25.1170.7-175-2.200106.6V195Q193-V195 HydrophobicContact CG-CG2 4.37Å
194Y32.6Very low33.3Very low229 Ų229146.4 Ų146.490%0.89874%0.744SS**  trans-166.6108.6152.8-85-67.3000106.1
195V34.5Very low33Very low101 Ų101147.8 Ų147.861%0.61275%0.749SS**  75.5120.867.7171.10000111.4Q193Q193-V195 HydrophobicContact CG-CG2 4.37Å
196Y31.1Very low33Very low206 Ų206150.3 Ų150.381%0.80875%0.749SS**  cis-158.6-132.8-11.9-136.7-53.7000111.6
197P35.4Very low32.5Very low110 Ų110154.1 Ų154.171%0.71475%0.749SS**  -88-178.3-120.613.911.2000115.1
198S32.8Very low32.5Very low96 Ų96154.2 Ų154.267%0.67175%0.749SS**  cis160.7177.2-15.3-173.70000106.6
199M33.8Very low32.3Very low151 Ų151151.9 Ų151.974%0.74475%0.746SS**  trans84.7108178.1-47.2-44.6-174.700114.3
200L33.9Very low32.4Very low155 Ų155152.1 Ų152.181%0.81275%0.752SS**  72.9137.671.3-70.1178.3000112.5
201S29.2Very low32.2Very low78 Ų78155 Ų15555%0.54576%0.761SS.*  cis-170.9-167.8-14.6-162.90000109.2
202E32.2Very low32.3Very low153 Ų153154 Ų15472%0.71576%0.764SS**  trans63.3119.6166.4-79.472.1-97.200119.6
203D31.1Very low32.1Very low152 Ų152157.2 Ų157.281%0.81377%0.771SS**  trans-56.5141.5151.8-57.9-90.7000111.6
204Y33.4Very low32.2Very low227 Ų227161.9 Ų161.989%0.8978%0.782SS**  trans-154.8111.1141.7-100.1-64.4000112.7
205M29Very low32.3Very low171 Ų171157.1 Ų157.184%0.84277%0.772SS**  trans-85.4120.8160.2-89-100.3-71.500109.4
206Y30.8Very low32.1Very low202 Ų202161 Ų16179%0.79279%0.786SS**  trans-164.1168.8132-125.9-93.6000112.6
207R28.2Very low32.2Very low190 Ų190157.9 Ų157.972%0.71778%0.783SS**  trans-69.4155.7-177.5-40.3168.5-170.7156.71111.9
208H33.1Very low32.2Very low175 Ų175161.6 Ų161.681%0.8179%0.791SS**  -159145102.6-122.6-90.6000114.1
209N27.8Very low32.4Very low157 Ų157164.9 Ų164.984%0.8480%0.799SS**  trans-78.8138.5160.8-87.84.2000109.1
210S34.6Very low32.3Very low115 Ų115165.5 Ų165.580%0.80481%0.806SS**  trans-150.5152.2134.1-169.30000109.1
211N31.6Very low32.4Very low146 Ų146169.5 Ų169.578%0.78181%0.81SS**  trans-77.3149.8170.7-43.5-67.2000109.3
212D35.5Very low32.5Very low159 Ų159172.1 Ų172.185%0.8583%0.827SS**  trans-155.8132.6135-121.7-28.2000110.9
213H31.6Very low32.5Very low183 Ų183171.8 Ų171.885%0.84784%0.835SS**  trans-89.6126.4173.5-82.2-68000109.6
214R35Very low32.4Very low244 Ų244166.3 Ų166.392%0.92182%0.815SS**  trans-145.7110.2153.6-109.7154.9-157.4169.78.7112.3
215N33.3Very low32.1Very low128 Ų128163.6 Ų163.668%0.68482%0.816SS**  trans-67.6132.6167171.414.8000109.9
216M30.8Very low32.2Very low182 Ų182164.8 Ų164.890%0.89781%0.812SS**  trans-148.1133.3144.1-91.8-52.5-177.600110.3
217N33Very low32.1Very low141 Ų141162.3 Ų162.375%0.75481%0.808SS**  trans-82.8123.1169.9-65.7-57000109.8
218E36.2Very low32.2Very low188 Ų188158.8 Ų158.888%0.87981%0.812SS**  trans-164.6-175.3152.7-122.4170.7-157.200111.7
219I36.8Very low32.4Very low165 Ų165157 Ų15785%0.84680%0.802SS**  trans65.261.6-179.2-38.4179.1000114
220N31.7Very low32.5Very low165 Ų165156 Ų15688%0.88280%0.795SS**  trans-121.257.1163-140.3-12.1000110.7
221R35.6Very low32.4Very low238 Ų238159.3 Ų159.390%0.89880%0.796SS**  trans-146.967.8179.8-76-163.5174.7-160.1-0.1113.3
222C31.9Very low32.4Very low134 Ų134159 Ų15991%0.90579%0.794SS**  trans-151.9120.2154.2-1100000108.8
223T31Very low32.2Very low145 Ų145156.3 Ų156.389%0.8979%0.788SS**  trans-88.3129.1-167.546.90000113.3
224G29.6Very low32.5Very low37 Ų37154 Ų15438%0.38178%0.775SS.*  trans-14992.5166.700000110Y226G224-Y226 PolarHBondContact O-N 2.97Å
225N26.9Very low32.5Very low170 Ų170150.4 Ų150.491%0.90976%0.763SS**  trans-76.587.4-175.8-82.62.1000111.8
226Y30.5Very low33Very low197 Ų197149 Ų14977%0.77376%0.755SS**  trans-109.1103.315816.5-95.1000108.5G224 S228G224-Y226 PolarHBondContact O-N 2.97Å; Y226-S228 PolarHBondContact O-N 2.91Å
227E29.4Very low33.1Very low150 Ų150144.1 Ų144.170%0.70174%0.736SS**  trans-65.494.6170.2-79-169.1113.900109.8K229E227-K229 HydrophobicContact CB-CD 4.42Å; E227-K229 HydrophobicContact CB-CG 4.35Å; E227-K229 PolarHBondContact O-N 3.16Å; E227-K229 WeakPolarHBondContact OE1-CE 3.06Å; E227-K229 IonicContact OE1-NZ 2.66Å; E227-K229 PolarHBondContact OE1-NZ 3.46Å; E227-K229 WeakPolarHBondContact OE2-CE 3.47Å; E227-K229 IonicContact OE2-NZ 3.9Å; E227-K229 PolarHBondContact OE2-NZ 2.81Å
228S30.6Very low33.2Very low115 Ų115141.7 Ų141.780%0.80473%0.728SS**  trans-71.670.4169.158.90000110.4Y226 I230Y226-S228 PolarHBondContact O-N 2.91Å; S228-I230 VanDerWaalsContact C-N 3.33Å; S228-I230 PolarHBondContact O-N 2.91Å
229K37.3Very low32.9Very low138 Ų138137.3 Ų137.360%0.671%0.706SS**  trans-68.385.4-179.8-92.1169.2172.51530111.8E227 F231E227-K229 HydrophobicContact CB-CD 4.42Å; E227-K229 HydrophobicContact CB-CG 4.35Å; E227-K229 PolarHBondContact O-N 3.16Å; E227-K229 WeakPolarHBondContact OE1-CE 3.06Å; E227-K229 IonicContact OE1-NZ 2.66Å; E227-K229 PolarHBondContact OE1-NZ 3.46Å; E227-K229 WeakPolarHBondContact OE2-CE 3.47Å; E227-K229 IonicContact OE2-NZ 3.9Å; E227-K229 PolarHBondContact OE2-NZ 2.81Å; K229-F231 PolarHBondContact O-N 2.86Å
230I29.5Very low32.7Very low135 Ų135133.1 Ų133.169%0.69269%0.69SS**  trans45.473.9147.9-45.9178.8000113.9S228 N232S228-I230 VanDerWaalsContact C-N 3.33Å; S228-I230 PolarHBondContact O-N 2.91Å; I230-N232 HydrophobicContact CG2-CB 3.97Å; I230-N232 PolarHBondContact O-N 3.2Å
231F33.1Very low32.9Very low186 Ų186130.5 Ų130.582%0.81668%0.676SS**  trans-75.160166.2-94.7-80.1000111.7K229K229-F231 PolarHBondContact O-N 2.86Å
232N30.5Very low32.7Very low140 Ų140125.4 Ų125.475%0.74967%0.667SS**  trans-87.9116.4173.2-86.2-12.6000111.3I230I230-N232 HydrophobicContact CG2-CB 3.97Å; I230-N232 PolarHBondContact O-N 3.2Å
233S32.4Very low32.7Very low102 Ų102126.1 Ų126.171%0.71366%0.661SS**  trans65.656.7155.1-168.50000118.6Y235S233-Y235 VanDerWaalsContact C-N 3.27Å; S233-Y235 PolarHBondContact O-N 3.34Å
234F36.8Very low32.7Very low133 Ų133126 Ų12658%0.58366%0.655SS**  trans-73.585.9147-87.5-71.1000109.7I236 D306F234-I236 PolarHBondContact O-N 3.34Å; F234-D306 HydrophobicContact CE1-CB 4.02Å; F234-D306 WeakPolarHBondContact CZ-OD1 3.42Å
235Y35.1Very low32.9Very low169 Ų169129.4 Ų129.466%0.66367%0.668SS**  trans-75.591.1179.8-170.7-95.2000110.8S233 P237 P238S233-Y235 VanDerWaalsContact C-N 3.27Å; S233-Y235 PolarHBondContact O-N 3.34Å; Y235-P237 HydrophobicContact CE1-CB 4.24Å; Y235-P237 WeakPolarHBondContact O-CD 3.42Å; Y235-P238 WeakPolarHBondContact OH-CD 3.49Å
236I44.3Very low33.1Very low100 Ų100129 Ų12951%0.51366%0.661SS.*PPolyproline II helixtrans-68.8117.6162.7-58.4178.1000106.7F234F234-I236 PolarHBondContact O-N 3.34Å
237P33.2Very low33.3Very low78 Ų78124.1 Ų124.151%0.50666%0.656SS.*PPolyproline II helixtrans-63.4142.1-178.325.8-33.9000110.6Y235 F239Y235-P237 HydrophobicContact CE1-CB 4.24Å; Y235-P237 WeakPolarHBondContact O-CD 3.42Å; P237-F239 PolarHBondContact O-N 3.27Å
238P33.8Very low33.4Very low91 Ų91121.9 Ų121.959%0.59166%0.655SS**PPolyproline II helixtrans-52.3134.8179-28.335.1000112.5Y235 P240Y235-P238 WeakPolarHBondContact OH-CD 3.49Å; P238-P240 WeakPolarHBondContact O-CD 3.49Å
239F30.9Very low33.6Very low95 Ų95123.3 Ų123.342%0.41765%0.653SS.*PPolyproline II helixtrans-59.8125.5179.1-65.1-86000110.3P237 N241 I274 M369P237-F239 PolarHBondContact O-N 3.27Å; F239-N241 PolarHBondContact O-N 3.37Å; F239-I274 HydrophobicContact CE2-CD1 3.88Å; F239-I274 HydrophobicContact CZ-CD1 4.17Å; F239-M369 HydrophobicContact CD1-CE 3.83Å; F239-M369 HydrophobicContact CE1-CE 4.17Å
240P31.8Very low33.4Very low78 Ų78124 Ų12451%0.50666%0.664SS.*THydrogen-bonded Turntrans-76.171.8-179.331.3-35.8000111.5P238P238-P240 WeakPolarHBondContact O-CD 3.49Å
241N36Very low33.8Very low110 Ų110122.1 Ų122.159%0.58866%0.662SS**THydrogen-bonded Turntrans-126.9-5.4177.4-82.1-28000113.6F239 L243F239-N241 PolarHBondContact O-N 3.37Å; N241-L243 PolarHBondContact O-N 3.06Å
242D31.5Very low34Very low131 Ų131120.1 Ų120.170%0.70167%0.665SS**  trans-784.6178.2-73-46.7000113.9N244D242-N244 PolarHBondContact O-N 3.46Å
243L33.3Very low34.7Very low149 Ų149120.7 Ų120.778%0.7867%0.668SS**THydrogen-bonded Turntrans-77.164.8174.1-76.2170.4000112N241N241-L243 PolarHBondContact O-N 3.06Å
244N30.6Very low35Very low142 Ų142121.7 Ų121.776%0.75967%0.665SS**THydrogen-bonded Turntrans-152.926.8169.4-102.5-42.6000113.2D242D242-N244 PolarHBondContact O-N 3.46Å
245T32.8Very low35.1Very low109 Ų109125.7 Ų125.767%0.66968%0.682SS**  trans-114.44.5179.9-45.40000113.7S247T245-S247 VanDerWaalsContact C-N 3.27Å; T245-S247 PolarHBondContact O-N 3.48Å
246E32.5Very low35.4Very low160 Ų160121.4 Ų121.475%0.74868%0.677SS**G310 helixtrans-73-14.7174.2-70.9-86.7105.100113.3C248E246-C248 PolarHBondContact O-N 2.95Å
247S34.3Very low35.4Very low96 Ų96122.5 Ų122.567%0.67169%0.688SS**G310 helixtrans-84.43.5-169.552.20000115.9T245T245-S247 VanDerWaalsContact C-N 3.27Å; T245-S247 PolarHBondContact O-N 3.48Å
248C30.1Very low35.3Very low102 Ų102124.7 Ų124.769%0.68970%0.704SS**G310 helixtrans-123.23.1-175.1-63.80000115.7E246E246-C248 PolarHBondContact O-N 2.95Å
249L35.1Very low35.6Very low146 Ų146128.1 Ų128.176%0.76472%0.716SS**SBendtrans-102.10.6-176.3-67.9174.8000115
250N34.2Very low36.1Very low153 Ų153130.7 Ų130.782%0.81874%0.735SS**  trans-95.915.6179.2-65.5-21.7000113.8
251S36.9Very low36.6Very low95 Ų95136.2 Ų136.266%0.66475%0.753SS**  trans-92.799.6176.1-175.70000110.8L253S251-L253 VanDerWaalsContact C-N 3.31Å; S251-L253 PolarHBondContact O-N 3.4Å
252T38.8Very low36.4Very low143 Ų143134.4 Ų134.488%0.87776%0.761SS**  trans-75.179.8175.1-56.10000110.9
253L44.8Very low36.6Very low152 Ų152137.1 Ų137.180%0.79677%0.772SS**  trans-146.3138170.4-152.667.4000112S251S251-L253 VanDerWaalsContact C-N 3.31Å; S251-L253 PolarHBondContact O-N 3.4Å
254D37.1Very low37Very low123 Ų123139.1 Ų139.166%0.65877%0.774SS**  trans10.5115.5-178.8-105.4-62.6000120.9S256D254-S256 VanDerWaalsContact C-N 3.31Å; D254-S256 VanDerWaalsContact CG-OG 3.31Å; D254-S256 PolarHBondContact O-N 3.16Å; D254-S256 WeakPolarHBondContact OD1-CB 3.47Å; D254-S256 PolarHBondContact OD1-OG 3.49Å
255K40.8Very low37.1Very low218 Ų218137.6 Ų137.695%0.94878%0.775SS**SBendtrans-93.829.3-177.7-144.5170.4-170.3172.90113.2
256S40.4Very low37.2Very low79 Ų79141.7 Ų141.755%0.55278%0.778SS**SBendtrans-130.7-10.7-15157.90000116.4D254D254-S256 VanDerWaalsContact C-N 3.31Å; D254-S256 VanDerWaalsContact CG-OG 3.31Å; D254-S256 PolarHBondContact O-N 3.16Å; D254-S256 WeakPolarHBondContact OD1-CB 3.47Å; D254-S256 PolarHBondContact OD1-OG 3.49Å
257T44Very low37.6Very low122 Ų122139.6 Ų139.675%0.74878%0.781SS**SBendtrans-125.4-2-162.417.10000117.2
258C31.9Very low38Very low124 Ų124143.9 Ų143.984%0.83879%0.79SS**  trans-94.4-0.1-175.756.60000115.8N260C258-N260 PolarHBondContact O-N 2.99Å
259L40.5Very low38.5Very low163 Ų163142.3 Ų142.385%0.85378%0.775SS**  trans-78.658.1174.6-78.9171.9000112.7
260N40.2Very low38.7Very low149 Ų149143.9 Ų143.980%0.79778%0.776SS**  trans-17174.7165.1-99.9-36.5000113.5C258C258-N260 PolarHBondContact O-N 2.99Å
261H42.7Very low39.3Very low194 Ų194144.2 Ų144.290%0.89878%0.776SS**SBendtrans-165.9143144.9-96.3-53.1000111.2M263H261-M263 PolarHBondContact O-N 3.38Å
262G30.8Very low39.4Very low73 Ų73146.7 Ų146.775%0.75378%0.775SS**  trans-78.7111.2-164.800000115.6K264G262-K264 PolarHBondContact O-N 3.33Å
263M37Very low39.4Very low188 Ų188145.4 Ų145.493%0.92677%0.767SS**  trans-72.883.5169.3-72.2-88.798.500111.8H261 S265H261-M263 PolarHBondContact O-N 3.38Å; M263-S265 PolarHBondContact O-N 2.91Å
264K41.6Very low39.6Very low191 Ų191142.4 Ų142.483%0.8375%0.751SS**  trans-74.1105.4168.5-83.3-171.3173.7-176.20111.3G262 R266G262-K264 PolarHBondContact O-N 3.33Å; K264-R266 PolarHBondContact O-N 3.18Å
265S32.8Very low40.2Very low110 Ų110144.5 Ų144.577%0.76975%0.754SS**  trans27.387.2145.659.80000117M263M263-S265 PolarHBondContact O-N 2.91Å
266R34Very low40.5Very low194 Ų194140.6 Ų140.673%0.73274%0.737SS**  trans-132.855.7172.7-159.3-179.4-178.9-170.7-0.5112.8K264 D269K264-R266 PolarHBondContact O-N 3.18Å; R266-D269 IonicContact CZ-OD2 2.7Å; R266-D269 IonicContact NE-OD2 3.65Å; R266-D269 PolarHBondContact NE-OD2 2.7Å; R266-D269 IonicContact NH2-OD2 3.42Å; R266-D269 PolarHBondContact NH2-OD2 2.92Å
267S40.8Very low40.9Very low116 Ų116139.5 Ų139.581%0.81174%0.738SS**  trans-93.2-4.7-168.8-460000115.5
268Q43.4Very low41.5Very low186 Ų186136 Ų13687%0.86972%0.719SS**SBendtrans-114.3-8.3-173.4-72.6-176.8-32.200115.5
269D41.4Very low43.2Very low70 Ų70132.2 Ų132.237%0.37470%0.7SS.*SBendtrans-79-21.3-178.8-90.9-30.1000114.6R266 L271 K272R266-D269 IonicContact CZ-OD2 2.7Å; R266-D269 IonicContact NE-OD2 3.65Å; R266-D269 PolarHBondContact NE-OD2 2.7Å; R266-D269 IonicContact NH2-OD2 3.42Å; R266-D269 PolarHBondContact NH2-OD2 2.92Å; D269-L271 PolarHBondContact O-N 3.22Å; D269-K272 VanDerWaalsContact O-CB 3.26Å; D269-K272 WeakPolarHBondContact O-CB 3.42Å; D269-K272 PolarHBondContact O-N 2.67Å; D269-K272 VanDerWaalsContact O-N 3.15Å
270K38.7Very low45.4Very low179 Ų179132.5 Ų132.578%0.77870%0.698SS**G310 helixtrans-70.7-21.8-164.3-96.3-166.2169.8-165.20115.8K272K270-K272 PolarHBondContact O-N 2.72Å
271L46.1Very low47.9Very low159 Ų159126 Ų12683%0.83266%0.663SS**G310 helixtrans-70.6-13.5174.6-72.6168.7000113.1D269 V273D269-L271 PolarHBondContact O-N 3.22Å; L271-V273 VanDerWaalsContact C-N 3.26Å; L271-V273 PolarHBondContact O-N 3.24Å
272K38.9Very low50.4Low148 Ų148120.2 Ų120.264%0.64364%0.636SS**G310 helixtrans-81.82.4-175.4-145.8169.2-173.8172.70114.1D269 K270D269-K272 VanDerWaalsContact O-CB 3.26Å; D269-K272 WeakPolarHBondContact O-CB 3.42Å; D269-K272 PolarHBondContact O-N 2.67Å; D269-K272 VanDerWaalsContact O-N 3.15Å; K270-K272 PolarHBondContact O-N 2.72Å
273V40Very low53.5Low115 Ų115116.9 Ų116.970%0.69760%0.601SS**G310 helixtrans-110.812.4-168.3-158.30000113.6L271 K275L271-V273 VanDerWaalsContact C-N 3.26Å; L271-V273 PolarHBondContact O-N 3.24Å; V273-K275 PolarHBondContact O-N 3.39Å
274I49Very low56.4Low90 Ų90108.2 Ų108.246%0.46256%0.558SS.*SBendtrans-58.7125.5153.2-57.1176.9000106.2F239 K276F239-I274 HydrophobicContact CE2-CD1 3.88Å; F239-I274 HydrophobicContact CZ-CD1 4.17Å; I274-K276 WeakPolarHBondContact O-CA 3.35Å; I274-K276 PolarHBondContact O-N 3.42Å
275K48.4Very low58.9Low167 Ų167101.5 Ų101.573%0.72653%0.53SS*.  trans-50.891.1-170.2-76.6-177.1175.7176.70112.4V273 G277 S278V273-K275 PolarHBondContact O-N 3.39Å; K275-G277 PolarHBondContact O-N 2.87Å; K275-S278 WeakPolarHBondContact CB-OG 3.28Å; K275-S278 PolarHBondContact O-N 3.21Å
276K47.3Very low62Low136 Ų13696.4 Ų96.459%0.59149%0.494SS*.THydrogen-bonded Turntrans-79.243-162.1-150.2173.1-173.4176.80114.3I274I274-K276 WeakPolarHBondContact O-CA 3.35Å; I274-K276 PolarHBondContact O-N 3.42Å
277G48.6Very low65Low56 Ų5687.2 Ų87.258%0.57746%0.459SS*.THydrogen-bonded Turntrans170.82-17400000115.6K275 G279K275-G277 PolarHBondContact O-N 2.87Å; G277-G279 PolarHBondContact O-N 2.85Å; G277-G279 VanDerWaalsContact O-N 3.15Å
278S56.8Low67.6Low48 Ų4883.3 Ų83.334%0.33643%0.429SS..  trans-73.8109.8176.758.30000111K275 Q280 I281K275-S278 WeakPolarHBondContact CB-OG 3.28Å; K275-S278 PolarHBondContact O-N 3.21Å; S278-Q280 PolarHBondContact O-N 3.03Å; S278-I281 PolarHBondContact O-N 2.98Å
279G68.6Low70.1Confident44 Ų4476 Ų7645%0.45440%0.395SS..THydrogen-bonded Turntrans-59-6.6-178.900000115.7G277 I281 K325G277-G279 PolarHBondContact O-N 2.85Å; G277-G279 VanDerWaalsContact O-N 3.15Å; G279-I281 VanDerWaalsContact C-N 3.31Å; G279-K325 WeakPolarHBondContact O-CD 3.27Å; G279-K325 WeakPolarHBondContact O-CE 3.46Å; G279-K325 PolarHBondContact O-NZ 3.29Å
280Q86.9Confident72.7Confident170 Ų17073.2 Ų73.279%0.79438%0.38SS*.THydrogen-bonded Turntrans-77.5-9.4172.9-161172.65.800114S278S278-Q280 PolarHBondContact O-N 3.03Å
281I92.9Very high75.5Confident12 Ų1265.3 Ų65.36%0.06235%0.346CS..  trans-51.1141.6179.9-169.6170.5000113.4S278 G279 Q285 F286 E289 W321 R324 K325S278-I281 PolarHBondContact O-N 2.98Å; G279-I281 VanDerWaalsContact C-N 3.31Å; I281-Q285 HydrophobicContact CD1-CB 4.11Å; I281-Q285 HydrophobicContact CG1-CB 3.74Å; I281-F286 HydrophobicContact CD1-CB 4.06Å; I281-F286 HydrophobicContact CG1-CB 4.38Å; I281-E289 WeakPolarHBondContact CD1-OE2 2.97Å; I281-W321 HydrophobicContact CG2-CZ3 4.29Å; I281-R324 HydrophobicContact CG2-CG 3.6Å; I281-K325 HydrophobicContact CG2-CD 4.38Å; I281-K325 PolarHBondContact O-NZ 3.48Å
282Q94.4Very high77.8Confident72 Ų7261.7 Ų61.734%0.33634%0.339SS..  trans-86.7155176.6-55.8-170.531.400111.7W284 Q285 F286Q282-W284 PolarHBondContact O-N 2.89Å; Q282-Q285 HydrophobicContact CB-CG 4.25Å; Q282-Q285 WeakPolarHBondContact O-CB 3.4Å; Q282-Q285 PolarHBondContact O-N 2.89Å; Q282-Q285 VanDerWaalsContact O-N 3.16Å; Q282-F286 PolarHBondContact O-N 2.9Å
283L96.6Very high80.5Confident4 Ų457.8 Ų57.82%0.02133%0.325CS..Hα-helixtrans-62.9-39.1-175.7176.459.3000112.6Q285 F286 L287 W321 L335 A338 L339 Y342L283-Q285 VanDerWaalsContact C-N 3.34Å; L283-Q285 PolarHBondContact O-N 3.46Å; L283-F286 HydrophobicContact CD1-CD1 4.14Å; L283-F286 PolarHBondContact O-N 3.48Å; L283-L287 HydrophobicContact CD1-CD1 4.15Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CG-CD1 4.18Å; L283-L287 WeakPolarHBondContact O-CG 3.39Å; L283-L287 PolarHBondContact O-N 3.38Å; L283-W321 HydrophobicContact CB-CH2 3.84Å; L283-W321 HydrophobicContact CB-CZ2 3.73Å; L283-W321 HydrophobicContact CB-CZ3 4.38Å; L283-W321 HydrophobicContact CD1-CD2 3.72Å; L283-W321 HydrophobicContact CD1-CE3 4.04Å; L283-W321 HydrophobicContact CD1-CG 4.03Å; L283-W321 HydrophobicContact CD1-CZ2 4.26Å; L283-W321 HydrophobicContact CD1-CZ3 4.43Å; L283-W321 HydrophobicContact CG-CZ2 4.48Å; L283-L335 HydrophobicContact CD1-CD1 4.24Å; L283-L335 HydrophobicContact CD1-CG 4.3Å; L283-L335 HydrophobicContact CD2-CG 4.29Å; L283-A338 HydrophobicContact CD2-CB 3.53Å; L283-L339 HydrophobicContact CD2-CD2 3.54Å; L283-L339 HydrophobicContact CD2-CG 4.18Å; L283-L339 HydrophobicContact CG-CD2 3.98Å; L283-Y342 HydrophobicContact CB-CE2 4.05Å; L283-Y342 HydrophobicContact CD2-CE2 4.34Å; L283-Y342 HydrophobicContact CG-CE2 4.29Å; L283-Y342 PolarHBondContact N-OH 2.97Å
284W96.3Very high82.9Confident5 Ų556 Ų562%0.01932%0.318CS..Hα-helixtrans-63.8-38.4175.767.7-99.2000112.5Q282 L288 Y342 I347 M348 F360 L365 A368 M369Q282-W284 PolarHBondContact O-N 2.89Å; W284-L288 HydrophobicContact CE3-CD1 3.96Å; W284-L288 HydrophobicContact CZ3-CD1 4.23Å; W284-L288 WeakPolarHBondContact O-CG 3.3Å; W284-L288 PolarHBondContact O-N 3.35Å; W284-L288 VanDerWaalsContact O-N 3.16Å; W284-Y342 HydrophobicContact CB-CE2 4.14Å; W284-Y342 AromaticContact CD1-CE1 3.9Å; W284-Y342 AromaticContact CD1-CZ 3.74Å; W284-Y342 PolarHBondContact N-OH 3.4Å; W284-I347 HydrophobicContact CB-CG2 3.95Å; W284-I347 HydrophobicContact CG-CG2 4.09Å; W284-M348 HydrophobicContact CB-CE 4.43Å; W284-F360 HydrophobicContact CB-CE1 4.2Å; W284-L365 HydrophobicContact CD2-CD1 3.97Å; W284-L365 HydrophobicContact CE3-CD1 3.35Å; W284-L365 HydrophobicContact CZ3-CD1 3.7Å; W284-A368 HydrophobicContact CZ2-CB 4.15Å; W284-M369 HydrophobicContact CH2-CB 4.27Å; W284-M369 HydrophobicContact CH2-CG 3.54Å; W284-M369 HydrophobicContact CZ3-CG 3.9Å
285Q95.7Very high85Confident51 Ų5159 Ų5924%0.23833%0.33CS..Hα-helixtrans-65.5-44.2175.7-65.5171.2-36.500111.1I281 Q282 L283 L288 E289 S372I281-Q285 HydrophobicContact CD1-CB 4.11Å; I281-Q285 HydrophobicContact CG1-CB 3.74Å; Q282-Q285 HydrophobicContact CB-CG 4.25Å; Q282-Q285 WeakPolarHBondContact O-CB 3.4Å; Q282-Q285 PolarHBondContact O-N 2.89Å; Q282-Q285 VanDerWaalsContact O-N 3.16Å; L283-Q285 VanDerWaalsContact C-N 3.34Å; L283-Q285 PolarHBondContact O-N 3.46Å; Q285-L288 PolarHBondContact O-N 2.97Å; Q285-E289 PolarHBondContact O-N 2.62Å; Q285-S372 PolarHBondContact NE2-OG 3.4Å
286F96.8Very high87.3Confident3 Ų351.8 Ų51.81%0.01330%0.299CS..Hα-helixtrans-63.4-40.5178.3169-99.6000112.9I281 Q282 L283 E289 L290 R320 W321 R324I281-F286 HydrophobicContact CD1-CB 4.06Å; I281-F286 HydrophobicContact CG1-CB 4.38Å; Q282-F286 PolarHBondContact O-N 2.9Å; L283-F286 HydrophobicContact CD1-CD1 4.14Å; L283-F286 PolarHBondContact O-N 3.48Å; F286-E289 WeakPolarHBondContact O-CB 3.23Å; F286-E289 PolarHBondContact O-N 3.17Å; F286-L290 HydrophobicContact CD1-CD1 4.42Å; F286-L290 HydrophobicContact CE1-CD1 3.68Å; F286-L290 HydrophobicContact CE1-CG 4.38Å; F286-L290 HydrophobicContact CE2-CD1 4.34Å; F286-L290 HydrophobicContact CE2-CD2 4.5Å; F286-L290 HydrophobicContact CE2-CG 4.34Å; F286-L290 HydrophobicContact CZ-CD1 3.64Å; F286-L290 HydrophobicContact CZ-CD2 4.47Å; F286-L290 HydrophobicContact CZ-CG 4.13Å; F286-L290 PolarHBondContact O-N 3.37Å; F286-R320 HydrophobicContact CZ-CB 3.8Å; F286-W321 HydrophobicContact CB-CE3 3.9Å; F286-W321 HydrophobicContact CB-CZ3 3.72Å; F286-W321 HydrophobicContact CD1-CB 4.29Å; F286-W321 HydrophobicContact CD1-CD2 4.26Å; F286-W321 AromaticContact CD1-CE3 3.54Å; F286-W321 HydrophobicContact CD1-CE3 3.54Å; F286-W321 HydrophobicContact CD1-CZ3 4.25Å; F286-W321 HydrophobicContact CD2-CE3 4.18Å; F286-W321 HydrophobicContact CE1-CB 3.7Å; F286-W321 HydrophobicContact CE1-CE3 4.06Å; F286-W321 HydrophobicContact CE1-CG 4.44Å; F286-W321 AromaticContact CG-CE3 3.59Å; F286-W321 HydrophobicContact CG-CE3 3.59Å; F286-W321 AromaticContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CZ-CB 4.13Å; F286-R324 HydrophobicContact CD2-CB 4.19Å; F286-R324 HydrophobicContact CD2-CG 3.85Å; F286-R324 HydrophobicContact CE2-CB 3.95Å; F286-R324 HydrophobicContact CE2-CG 4.1Å
287L97.4Very high89.5Confident0 Ų049.8 Ų49.80%029%0.294CS..Hα-helixtrans-66.1-40.1176.2-69.5171.7000111.8L283 E289 L290 L291 I300 F309 L311 V317 L339 M348 F360L283-L287 HydrophobicContact CD1-CD1 4.15Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CG-CD1 4.18Å; L283-L287 WeakPolarHBondContact O-CG 3.39Å; L283-L287 PolarHBondContact O-N 3.38Å; L287-E289 VanDerWaalsContact C-N 3.35Å; L287-L290 PolarHBondContact O-N 3.02Å; L287-L291 VanDerWaalsContact O-CB 3.28Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 WeakPolarHBondContact O-CD1 3.39Å; L287-L291 WeakPolarHBondContact O-CG 3.41Å; L287-L291 PolarHBondContact O-N 2.87Å; L287-I300 HydrophobicContact CB-CD1 4.45Å; L287-I300 HydrophobicContact CD2-CD1 3.61Å; L287-F309 HydrophobicContact CD1-CE2 4.3Å; L287-F309 HydrophobicContact CD1-CZ 4.18Å; L287-L311 HydrophobicContact CD2-CD2 4.47Å; L287-V317 HydrophobicContact CD2-CG1 3.85Å; L287-L339 HydrophobicContact CD1-CD2 3.64Å; L287-M348 HydrophobicContact CD1-CE 4.14Å; L287-F360 HydrophobicContact CB-CZ 4.2Å
288L95.9Very high91.8Very high34 Ų3451.3 Ų51.318%0.17830%0.301CS..Hα-helixtrans-65.7-35.4172.7-68.6174.3000112.4W284 Q285 L291 A292 W302 F360 L365W284-L288 HydrophobicContact CE3-CD1 3.96Å; W284-L288 HydrophobicContact CZ3-CD1 4.23Å; W284-L288 WeakPolarHBondContact O-CG 3.3Å; W284-L288 PolarHBondContact O-N 3.35Å; W284-L288 VanDerWaalsContact O-N 3.16Å; Q285-L288 PolarHBondContact O-N 2.97Å; L288-L291 PolarHBondContact O-N 2.75Å; L288-A292 VanDerWaalsContact O-CB 3.31Å; L288-A292 WeakPolarHBondContact O-CB 3.3Å; L288-A292 PolarHBondContact O-N 2.8Å; L288-W302 HydrophobicContact CD2-CH2 3.79Å; L288-W302 HydrophobicContact CD2-CZ2 4.16Å; L288-F360 HydrophobicContact CD1-CE1 4.43Å; L288-F360 HydrophobicContact CD2-CD2 4.01Å; L288-F360 HydrophobicContact CD2-CE1 4.22Å; L288-F360 HydrophobicContact CD2-CE2 3.55Å; L288-F360 HydrophobicContact CD2-CZ 3.67Å; L288-F360 HydrophobicContact CG-CE1 4.12Å; L288-F360 HydrophobicContact CG-CE2 4.16Å; L288-F360 HydrophobicContact CG-CZ 3.74Å; L288-L365 HydrophobicContact CD1-CD1 4.14Å; L288-L365 HydrophobicContact CD1-CD2 4.13Å
289E95.7Very high93.7Very high34 Ų3449.1 Ų49.116%0.15929%0.286CS..Hα-helixtrans-63.1-41.5174.5-171-168.6138.800111.9I281 Q285 F286 L287 R324I281-E289 WeakPolarHBondContact CD1-OE2 2.97Å; Q285-E289 PolarHBondContact O-N 2.62Å; F286-E289 WeakPolarHBondContact O-CB 3.23Å; F286-E289 PolarHBondContact O-N 3.17Å; L287-E289 VanDerWaalsContact C-N 3.35Å; E289-R324 VanDerWaalsContact CD-NH1 3.32Å; E289-R324 IonicContact OE1-CZ 3.17Å; E289-R324 IonicContact OE1-NH1 2.84Å; E289-R324 PolarHBondContact OE1-NH1 2.91Å; E289-R324 IonicContact OE1-NH2 2.73Å; E289-R324 PolarHBondContact OE1-NH2 3.44Å; E289-R324 IonicContact OE2-CZ 2.73Å; E289-R324 IonicContact OE2-NH1 3.63Å; E289-R324 PolarHBondContact OE2-NH1 3.18Å; E289-R324 IonicContact OE2-NH2 3.14Å
290L96.6Very high95.1Very high11 Ų1147.1 Ų47.16%0.05827%0.265CS..Hα-helixtrans-67.6-45.4173.6-66.2-179.9000111.6F286 L287 A292 D293 N296 I300F286-L290 HydrophobicContact CD1-CD1 4.42Å; F286-L290 HydrophobicContact CE1-CD1 3.68Å; F286-L290 HydrophobicContact CE1-CG 4.38Å; F286-L290 HydrophobicContact CE2-CD1 4.34Å; F286-L290 HydrophobicContact CE2-CD2 4.5Å; F286-L290 HydrophobicContact CE2-CG 4.34Å; F286-L290 HydrophobicContact CZ-CD1 3.64Å; F286-L290 HydrophobicContact CZ-CD2 4.47Å; F286-L290 HydrophobicContact CZ-CG 4.13Å; F286-L290 PolarHBondContact O-N 3.37Å; L287-L290 PolarHBondContact O-N 3.02Å; L290-A292 PolarHBondContact O-N 3.18Å; L290-D293 PolarHBondContact O-N 3.2Å; L290-N296 HydrophobicContact CB-CB 4.41Å; L290-N296 WeakPolarHBondContact O-CB 3.38Å; L290-N296 PolarHBondContact O-ND2 2.84Å; L290-I300 HydrophobicContact CB-CG2 3.57Å; L290-I300 HydrophobicContact CD1-CG2 3.99Å; L290-I300 HydrophobicContact CG-CG2 4.42Å
291L96.7Very high95.5Very high13 Ų1340.6 Ų40.67%0.06824%0.237CC..Hα-helixtrans-68.7-15.5-178.6-80.8166.7000114.7L287 L288 D293 I300 W302 F309 F360L287-L291 VanDerWaalsContact O-CB 3.28Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 WeakPolarHBondContact O-CD1 3.39Å; L287-L291 WeakPolarHBondContact O-CG 3.41Å; L287-L291 PolarHBondContact O-N 2.87Å; L288-L291 PolarHBondContact O-N 2.75Å; L291-D293 VanDerWaalsContact C-N 3.34Å; L291-I300 HydrophobicContact CD1-CD1 4Å; L291-I300 HydrophobicContact CD1-CG1 4.4Å; L291-I300 HydrophobicContact CD2-CD1 4.26Å; L291-I300 HydrophobicContact CD2-CG1 3.78Å; L291-I300 HydrophobicContact CG-CD1 3.83Å; L291-I300 HydrophobicContact CG-CG1 3.91Å; L291-W302 HydrophobicContact CB-CH2 4.45Å; L291-W302 HydrophobicContact CB-CZ2 3.63Å; L291-W302 HydrophobicContact CD1-CD2 4.45Å; L291-W302 HydrophobicContact CD1-CE3 4.44Å; L291-W302 HydrophobicContact CD1-CH2 3.87Å; L291-W302 HydrophobicContact CD1-CZ2 3.88Å; L291-W302 HydrophobicContact CD1-CZ3 4.15Å; L291-W302 HydrophobicContact CD2-CD2 3.95Å; L291-W302 HydrophobicContact CD2-CG 4.05Å; L291-W302 HydrophobicContact CD2-CZ2 4.43Å; L291-W302 HydrophobicContact CG-CZ2 4.2Å; L291-W302 PolarHBondContact O-NE1 2.99Å; L291-F309 HydrophobicContact CD1-CB 3.79Å; L291-F309 HydrophobicContact CD1-CD1 4.26Å; L291-F309 HydrophobicContact CD1-CD2 3.93Å; L291-F309 HydrophobicContact CD1-CG 3.75Å; L291-F309 HydrophobicContact CD2-CB 4.02Å; L291-F360 HydrophobicContact CD1-CE2 3.93Å
292A94.8Very high95.7Very high83 Ų8344.2 Ų44.269%0.68625%0.25SC*.THydrogen-bonded Turntrans-80.9-13.2174.400000113.4L288 L290L288-A292 VanDerWaalsContact O-CB 3.31Å; L288-A292 WeakPolarHBondContact O-CB 3.3Å; L288-A292 PolarHBondContact O-N 2.8Å; L290-A292 PolarHBondContact O-N 3.18Å
293D94Very high95.6Very high65 Ų6543.9 Ų43.935%0.34825%0.248SC..  trans-120.1114.9-177.8178.4-2.1000110.6L290 L291 Q295 N296L290-D293 PolarHBondContact O-N 3.2Å; L291-D293 VanDerWaalsContact C-N 3.34Å; D293-Q295 PolarHBondContact O-N 3.3Å; D293-Q295 VanDerWaalsContact O-N 3.09Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.5Å; D293-Q295 WeakPolarHBondContact OD1-CG 3.33Å; D293-Q295 PolarHBondContact OD1-N 3.28Å; D293-N296 WeakPolarHBondContact O-CB 3.48Å; D293-N296 PolarHBondContact O-N 3.01Å; D293-N296 PolarHBondContact O-ND2 3.33Å
294S91.6Very high95.1Very high78 Ų7846.5 Ų46.555%0.54528%0.276SS..G310 helixtrans-59.4-19.9-177.859.20000114N296 I297S294-N296 PolarHBondContact O-N 3.36Å; S294-N296 VanDerWaalsContact O-N 3.16Å; S294-I297 VanDerWaalsContact O-CD1 3.3Å; S294-I297 WeakPolarHBondContact O-CD1 3.41Å; S294-I297 VanDerWaalsContact O-CG1 3.23Å; S294-I297 WeakPolarHBondContact O-CG1 3.44Å; S294-I297 PolarHBondContact O-N 2.94Å
295Q93.8Very high94.5Very high152 Ų15252 Ų5271%0.7131%0.306SS*.G310 helixtrans-66.2-13.7174.9-57.8-54.8-69.400112.9D293D293-Q295 PolarHBondContact O-N 3.3Å; D293-Q295 VanDerWaalsContact O-N 3.09Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.5Å; D293-Q295 WeakPolarHBondContact OD1-CG 3.33Å; D293-Q295 PolarHBondContact OD1-N 3.28Å
296N94.8Very high94.2Very high17 Ų1754.7 Ų54.79%0.09132%0.322CS..G310 helixtrans-92.5-1.2-179.8-57.5-52000114.8L290 D293 S294 A298 C299 I300 R320L290-N296 HydrophobicContact CB-CB 4.41Å; L290-N296 WeakPolarHBondContact O-CB 3.38Å; L290-N296 PolarHBondContact O-ND2 2.84Å; D293-N296 WeakPolarHBondContact O-CB 3.48Å; D293-N296 PolarHBondContact O-N 3.01Å; D293-N296 PolarHBondContact O-ND2 3.33Å; S294-N296 PolarHBondContact O-N 3.36Å; S294-N296 VanDerWaalsContact O-N 3.16Å; N296-A298 PolarHBondContact O-N 2.97Å; N296-C299 PolarHBondContact O-N 2.83Å; N296-I300 CarbonylContact C-O 3.57Å; N296-I300 HydrophobicContact CB-CG2 4.18Å; N296-I300 PolarHBondContact O-N 3.08Å; N296-I300 VanDerWaalsContact O-O 3.09Å; N296-R320 PolarHBondContact OD1-NH1 3.33Å
297I94.8Very high94Very high93 Ų9354.8 Ų54.848%0.47732%0.323SS..THydrogen-bonded Turntrans-51.5-30.8-178.6-71.6167.8000112.7S294 C299 I300 T312S294-I297 VanDerWaalsContact O-CD1 3.3Å; S294-I297 WeakPolarHBondContact O-CD1 3.41Å; S294-I297 VanDerWaalsContact O-CG1 3.23Å; S294-I297 WeakPolarHBondContact O-CG1 3.44Å; S294-I297 PolarHBondContact O-N 2.94Å; I297-C299 PolarHBondContact O-N 2.69Å; I297-I300 WeakPolarHBondContact CA-O 3.4Å; I297-T312 PolarHBondContact O-OG1 2.9Å
298A95.7Very high93.9Very high88 Ų8855.5 Ų55.573%0.72733%0.326SS*.THydrogen-bonded Turntrans-59.4-28.517600000114.3N296 T312N296-A298 PolarHBondContact O-N 2.97Å; A298-T312 PolarHBondContact O-OG1 3.13Å
299C96.8Very high94Very high3 Ų353.9 Ų53.92%0.0232%0.318CS..THydrogen-bonded Turntrans-119.5-25.5177.268.30000114.8N296 I297 L311 T312 D313 E316 V317N296-C299 PolarHBondContact O-N 2.83Å; I297-C299 PolarHBondContact O-N 2.69Å; C299-L311 CarbonylContact O-C 3.56Å; C299-L311 WeakPolarHBondContact O-CA 3.43Å; C299-T312 VanDerWaalsContact CA-OG1 3.3Å; C299-T312 WeakPolarHBondContact CA-OG1 3.37Å; C299-T312 PolarHBondContact N-OG1 3.35Å; C299-T312 PolarHBondContact O-N 2.95Å; C299-T312 PolarHBondContact O-OG1 3.39Å; C299-D313 HydrophobicContact CB-CB 3.91Å; C299-D313 PolarHBondContact O-N 2.98Å; C299-D313 VanDerWaalsContact O-N 3.1Å; C299-E316 HydrophobicContact CB-CB 3.95Å; C299-E316 HydrophobicContact CB-CG 3.65Å; C299-V317 HydrophobicContact CB-CG2 3.95Å; C299-V317 VanDerWaalsContact O-CG2 3.27Å; C299-V317 WeakPolarHBondContact O-CG2 3.3Å
300I97.9Very high94.1Very high2 Ų255.4 Ų55.41%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-151133.2174.7-171.7172.5000112.3L287 L290 L291 N296 I297 F309 K310 L311 T312 V317L287-I300 HydrophobicContact CB-CD1 4.45Å; L287-I300 HydrophobicContact CD2-CD1 3.61Å; L290-I300 HydrophobicContact CB-CG2 3.57Å; L290-I300 HydrophobicContact CD1-CG2 3.99Å; L290-I300 HydrophobicContact CG-CG2 4.42Å; L291-I300 HydrophobicContact CD1-CD1 4Å; L291-I300 HydrophobicContact CD1-CG1 4.4Å; L291-I300 HydrophobicContact CD2-CD1 4.26Å; L291-I300 HydrophobicContact CD2-CG1 3.78Å; L291-I300 HydrophobicContact CG-CD1 3.83Å; L291-I300 HydrophobicContact CG-CG1 3.91Å; N296-I300 CarbonylContact C-O 3.57Å; N296-I300 HydrophobicContact CB-CG2 4.18Å; N296-I300 PolarHBondContact O-N 3.08Å; N296-I300 VanDerWaalsContact O-O 3.09Å; I297-I300 WeakPolarHBondContact CA-O 3.4Å; I300-F309 HydrophobicContact CD1-CD2 3.92Å; I300-F309 HydrophobicContact CD1-CE2 4.13Å; I300-F309 HydrophobicContact CG1-CD2 4.2Å; I300-K310 WeakPolarHBondContact CA-O 3.28Å; I300-L311 HydrophobicContact CB-CD2 4.42Å; I300-L311 HydrophobicContact CD1-CD2 3.57Å; I300-L311 HydrophobicContact CG1-CD2 3.83Å; I300-T312 PolarHBondContact N-OG1 3.47Å; I300-V317 HydrophobicContact CB-CG2 3.92Å; I300-V317 HydrophobicContact CG2-CG2 4.35Å
301T96.7Very high94.1Very high33 Ų3355 Ų5520%0.20232%0.322CS..EExtended strand (participates in β ladder)trans-140.9153.6179.9-174.80000111.8F309 K310 T312T301-F309 CarbonylContact O-C 3.55Å; T301-F309 VanDerWaalsContact O-CA 3.3Å; T301-F309 WeakPolarHBondContact O-CA 3.22Å; T301-F309 WeakPolarHBondContact O-CB 3.35Å; T301-K310 PolarHBondContact N-O 3.21Å; T301-K310 PolarHBondContact O-N 3.28Å; T301-T312 HydrophobicContact CG2-CG2 3.95Å
302W96.5Very high94.1Very high88 Ų8857.5 Ų57.533%0.33334%0.338SS..EExtended strand (participates in β ladder)trans-63.2137.8159.2-59.2105.4000109.3L288 L291 E308 F309 F360L288-W302 HydrophobicContact CD2-CH2 3.79Å; L288-W302 HydrophobicContact CD2-CZ2 4.16Å; L291-W302 HydrophobicContact CB-CH2 4.45Å; L291-W302 HydrophobicContact CB-CZ2 3.63Å; L291-W302 HydrophobicContact CD1-CD2 4.45Å; L291-W302 HydrophobicContact CD1-CE3 4.44Å; L291-W302 HydrophobicContact CD1-CH2 3.87Å; L291-W302 HydrophobicContact CD1-CZ2 3.88Å; L291-W302 HydrophobicContact CD1-CZ3 4.15Å; L291-W302 HydrophobicContact CD2-CD2 3.95Å; L291-W302 HydrophobicContact CD2-CG 4.05Å; L291-W302 HydrophobicContact CD2-CZ2 4.43Å; L291-W302 HydrophobicContact CG-CZ2 4.2Å; L291-W302 PolarHBondContact O-NE1 2.99Å; W302-E308 WeakPolarHBondContact CA-O 3.37Å; W302-F309 HydrophobicContact CE3-CB 3.89Å; W302-F309 HydrophobicContact CZ3-CB 4.2Å; W302-F309 HydrophobicContact CZ3-CD1 4.49Å; W302-F360 AromaticContact CH2-CD2 3.97Å; W302-F360 HydrophobicContact CH2-CD2 3.97Å; W302-F360 HydrophobicContact CH2-CE2 4.12Å; W302-F360 AromaticContact CZ3-CD2 3.95Å; W302-F360 HydrophobicContact CZ3-CD2 3.95Å; W302-F360 HydrophobicContact CZ3-CE2 4.33Å
303E92.5Very high94.3Very high65 Ų6556.8 Ų56.830%0.30432%0.322SS..  trans-158.9104.1177-169.6-142.988.600111.5E308 K310 K354E303-E308 PolarHBondContact N-O 3.34Å; E303-E308 WeakPolarHBondContact O-CB 3.3Å; E303-K310 HydrophobicContact CB-CB 4.2Å; E303-K310 WeakPolarHBondContact OE2-CD 3.48Å; E303-K310 WeakPolarHBondContact OE2-CE 3.47Å; E303-K310 IonicContact OE2-NZ 3.2Å; E303-K310 PolarHBondContact OE2-NZ 2.97Å; E303-K354 PolarHBondContact O-NZ 3.16Å; E303-K354 WeakPolarHBondContact OE1-CD 3.45Å; E303-K354 VanDerWaalsContact OE1-CE 3.28Å; E303-K354 WeakPolarHBondContact OE1-CE 3.41Å; E303-K354 IonicContact OE1-NZ 3.39Å; E303-K354 PolarHBondContact OE1-NZ 2.88Å
304G86.9Confident94.5Very high59 Ų5954.3 Ų54.361%0.60831%0.31SS*.SBendtrans128.1-141.6174.500000112.5
305N83.7Confident94.8Very high121 Ų12155.1 Ų55.165%0.64731%0.308SS*.SBendtrans-78.9177.3175.9-69.794.5000112.1G307 E308N305-G307 PolarHBondContact O-N 3.03Å; N305-E308 HydrophobicContact CB-CG 4.35Å; N305-E308 PolarHBondContact N-OE2 3Å; N305-E308 VanDerWaalsContact O-CB 3.22Å; N305-E308 WeakPolarHBondContact O-CB 3.3Å; N305-E308 WeakPolarHBondContact O-CG 3.13Å; N305-E308 PolarHBondContact O-N 3.04Å
306D87.5Confident95Very high107 Ų10749.9 Ų49.957%0.57228%0.284SS*.THydrogen-bonded Turntrans-49.4121.9-176.1-55-4.7000112.8F234 E308 F362F234-D306 HydrophobicContact CE1-CB 4.02Å; F234-D306 WeakPolarHBondContact CZ-OD1 3.42Å; D306-E308 VanDerWaalsContact C-N 3.29Å; D306-E308 PolarHBondContact O-N 3.16Å; D306-F362 HydrophobicContact CB-CE2 4.45Å
307G92.6Very high95.1Very high4 Ų449.1 Ų49.14%0.04128%0.28CS..THydrogen-bonded Turntrans78.10.3-177.900000115.6N305 R359 F360N305-G307 PolarHBondContact O-N 3.03Å; G307-R359 WeakPolarHBondContact O-CA 3.4Å; G307-F360 PolarHBondContact O-N 2.68Å
308E96.9Very high95.3Very high15 Ų1544.7 Ų44.77%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-79.2127.5175.5-61.3-160.7160.100112W302 E303 N305 D306 V351 K354 Y358 R359W302-E308 WeakPolarHBondContact CA-O 3.37Å; E303-E308 PolarHBondContact N-O 3.34Å; E303-E308 WeakPolarHBondContact O-CB 3.3Å; N305-E308 HydrophobicContact CB-CG 4.35Å; N305-E308 PolarHBondContact N-OE2 3Å; N305-E308 VanDerWaalsContact O-CB 3.22Å; N305-E308 WeakPolarHBondContact O-CB 3.3Å; N305-E308 WeakPolarHBondContact O-CG 3.13Å; N305-E308 PolarHBondContact O-N 3.04Å; D306-E308 VanDerWaalsContact C-N 3.29Å; D306-E308 PolarHBondContact O-N 3.16Å; E308-V351 HydrophobicContact CG-CG2 4.34Å; E308-K354 IonicContact OE2-NZ 2.78Å; E308-Y358 WeakPolarHBondContact CA-O 3.43Å; E308-R359 HydrophobicContact CG-CB 3.89Å; E308-R359 VanDerWaalsContact CG-CD 3.49Å; E308-R359 HydrophobicContact CG-CG 3.66Å; E308-R359 IonicContact OE1-CZ 2.67Å; E308-R359 IonicContact OE1-NH1 2.72Å; E308-R359 PolarHBondContact OE1-NH1 3.39Å
309F97.5Very high95.4Very high0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-138.1162.2179.473.1-85.3000111.3L287 L291 I300 T301 W302 L311 M348 A357 Y358 F360L287-F309 HydrophobicContact CD1-CE2 4.3Å; L287-F309 HydrophobicContact CD1-CZ 4.18Å; L291-F309 HydrophobicContact CD1-CB 3.79Å; L291-F309 HydrophobicContact CD1-CD1 4.26Å; L291-F309 HydrophobicContact CD1-CD2 3.93Å; L291-F309 HydrophobicContact CD1-CG 3.75Å; L291-F309 HydrophobicContact CD2-CB 4.02Å; I300-F309 HydrophobicContact CD1-CD2 3.92Å; I300-F309 HydrophobicContact CD1-CE2 4.13Å; I300-F309 HydrophobicContact CG1-CD2 4.2Å; T301-F309 CarbonylContact O-C 3.55Å; T301-F309 VanDerWaalsContact O-CA 3.3Å; T301-F309 WeakPolarHBondContact O-CA 3.22Å; T301-F309 WeakPolarHBondContact O-CB 3.35Å; W302-F309 HydrophobicContact CE3-CB 3.89Å; W302-F309 HydrophobicContact CZ3-CB 4.2Å; W302-F309 HydrophobicContact CZ3-CD1 4.49Å; F309-L311 HydrophobicContact CD2-CD2 4.28Å; F309-L311 HydrophobicContact CE2-CD2 4.03Å; F309-M348 HydrophobicContact CZ-CE 4.25Å; F309-A357 CarbonylContact O-C 3.59Å; F309-A357 VanDerWaalsContact O-CA 3.3Å; F309-A357 WeakPolarHBondContact O-CA 3.36Å; F309-Y358 WeakPolarHBondContact CD1-O 3.45Å; F309-Y358 HydrophobicContact CE2-CD2 4.29Å; F309-Y358 HydrophobicContact CE2-CG 4.49Å; F309-Y358 VanDerWaalsContact CZ-CB 3.47Å; F309-Y358 HydrophobicContact CZ-CD2 4.44Å; F309-Y358 HydrophobicContact CZ-CG 4.19Å; F309-Y358 PolarHBondContact N-O 2.9Å; F309-Y358 PolarHBondContact O-N 3.09Å; F309-Y358 VanDerWaalsContact O-O 3.06Å; F309-F360 AromaticContact CD1-CD2 3.55Å; F309-F360 HydrophobicContact CD1-CD2 3.55Å; F309-F360 AromaticContact CD1-CE2 3.46Å; F309-F360 HydrophobicContact CD1-CE2 3.46Å; F309-F360 VanDerWaalsContact CD1-CE2 3.46Å; F309-F360 HydrophobicContact CD1-CZ 4.46Å; F309-F360 AromaticContact CE1-CD2 3.45Å; F309-F360 HydrophobicContact CE1-CD2 3.45Å; F309-F360 VanDerWaalsContact CE1-CD2 3.45Å; F309-F360 AromaticContact CE1-CE2 3.2Å; F309-F360 HydrophobicContact CE1-CE2 3.2Å; F309-F360 HydrophobicContact CE1-CG 4.24Å; F309-F360 AromaticContact CE1-CZ 3.82Å; F309-F360 HydrophobicContact CE1-CZ 3.82Å; F309-F360 HydrophobicContact CG-CE2 4.31Å; F309-F360 AromaticContact CZ-CE2 3.89Å; F309-F360 HydrophobicContact CZ-CE2 3.89Å; F309-F360 HydrophobicContact CZ-CZ 4.14Å
310K97Very high95.4Very high67 Ų6749.3 Ų49.329%0.29126%0.256SS..EExtended strand (participates in β ladder)trans-140136.4-175.4178.4-179.6175.5-168.80110.1I300 T301 E303 T312 Y356 A357I300-K310 WeakPolarHBondContact CA-O 3.28Å; T301-K310 PolarHBondContact N-O 3.21Å; T301-K310 PolarHBondContact O-N 3.28Å; E303-K310 HydrophobicContact CB-CB 4.2Å; E303-K310 WeakPolarHBondContact OE2-CD 3.48Å; E303-K310 WeakPolarHBondContact OE2-CE 3.47Å; E303-K310 IonicContact OE2-NZ 3.2Å; E303-K310 PolarHBondContact OE2-NZ 2.97Å; K310-T312 PolarHBondContact O-N 3.3Å; K310-Y356 WeakPolarHBondContact CA-O 3.32Å; K310-A357 HydrophobicContact CB-CB 4.43Å
311L97.8Very high95.4Very high1 Ų150.3 Ų50.31%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-79.9108.8167-39.1-176.7000107L287 C299 I300 F309 P314 V317 Y332 L335 Y356 Y358L287-L311 HydrophobicContact CD2-CD2 4.47Å; C299-L311 CarbonylContact O-C 3.56Å; C299-L311 WeakPolarHBondContact O-CA 3.43Å; I300-L311 HydrophobicContact CB-CD2 4.42Å; I300-L311 HydrophobicContact CD1-CD2 3.57Å; I300-L311 HydrophobicContact CG1-CD2 3.83Å; F309-L311 HydrophobicContact CD2-CD2 4.28Å; F309-L311 HydrophobicContact CE2-CD2 4.03Å; L311-P314 HydrophobicContact CB-CB 4.07Å; L311-P314 HydrophobicContact CD1-CB 4.07Å; L311-V317 HydrophobicContact CD1-CG1 4.47Å; L311-V317 HydrophobicContact CD2-CG1 4.21Å; L311-V317 HydrophobicContact CD2-CG2 4.34Å; L311-Y332 HydrophobicContact CD1-CD2 4.13Å; L311-Y332 HydrophobicContact CD1-CE2 3.86Å; L311-L335 HydrophobicContact CD1-CD2 4.39Å; L311-Y356 PolarHBondContact N-O 3.37Å; L311-Y356 WeakPolarHBondContact O-CB 3.4Å; L311-Y358 HydrophobicContact CD1-CE2 4.48Å
312T97.2Very high95.4Very high66 Ų6648.8 Ų48.841%0.40525%0.25SS..SBendtrans-73-38.9174.329.30000110.5I297 A298 C299 I300 T301 K310I297-T312 PolarHBondContact O-OG1 2.9Å; A298-T312 PolarHBondContact O-OG1 3.13Å; C299-T312 VanDerWaalsContact CA-OG1 3.3Å; C299-T312 WeakPolarHBondContact CA-OG1 3.37Å; C299-T312 PolarHBondContact N-OG1 3.35Å; C299-T312 PolarHBondContact O-N 2.95Å; C299-T312 PolarHBondContact O-OG1 3.39Å; I300-T312 PolarHBondContact N-OG1 3.47Å; T301-T312 HydrophobicContact CG2-CG2 3.95Å; K310-T312 PolarHBondContact O-N 3.3Å
313D97.7Very high95.3Very high68 Ų6850.9 Ų50.936%0.36426%0.264SS..SBendtrans-122.599.2164.2-174.5-22.6000109C299 D315 E316 V317C299-D313 HydrophobicContact CB-CB 3.91Å; C299-D313 PolarHBondContact O-N 2.98Å; C299-D313 VanDerWaalsContact O-N 3.1Å; D313-D315 VanDerWaalsContact C-N 3.26Å; D313-D315 PolarHBondContact O-N 3.24Å; D313-D315 PolarHBondContact OD1-N 2.91Å; D313-E316 HydrophobicContact CB-CB 4Å; D313-E316 VanDerWaalsContact CG-CB 3.48Å; D313-E316 PolarHBondContact OD1-N 3.34Å; D313-E316 WeakPolarHBondContact OD2-CB 3.42Å; D313-V317 VanDerWaalsContact O-CG2 3.31Å; D313-V317 WeakPolarHBondContact O-CG2 3.4Å; D313-V317 PolarHBondContact O-N 2.73Å
314P97.9Very high95.5Very high14 Ų1450.1 Ų50.19%0.09126%0.258CS..Hα-helixtrans-68.8-22.1-178.929-35.2000113.8L311 A318 Y332 Y356L311-P314 HydrophobicContact CB-CB 4.07Å; L311-P314 HydrophobicContact CD1-CB 4.07Å; P314-A318 WeakPolarHBondContact O-CB 3.41Å; P314-A318 PolarHBondContact O-N 3.31Å; P314-Y332 HydrophobicContact CB-CD2 3.51Å; P314-Y332 HydrophobicContact CB-CE2 4.01Å; P314-Y332 HydrophobicContact CB-CG 3.83Å; P314-Y356 HydrophobicContact CB-CD1 3.83Å; P314-Y356 HydrophobicContact CB-CE1 4.06Å; P314-Y356 HydrophobicContact CB-CG 4.27Å; P314-Y356 HydrophobicContact CG-CD1 3.95Å; P314-Y356 HydrophobicContact CG-CD2 4.33Å; P314-Y356 HydrophobicContact CG-CE1 3.81Å; P314-Y356 HydrophobicContact CG-CE2 4.21Å; P314-Y356 HydrophobicContact CG-CG 4.21Å
315D98.1Very high95.8Very high94 Ų9450.2 Ų50.250%0.50324%0.242SC..Hα-helixtrans-90.7-34.5-176.8-73.9-53.4000111.5D313 A318 R319 Y332D313-D315 VanDerWaalsContact C-N 3.26Å; D313-D315 PolarHBondContact O-N 3.24Å; D313-D315 PolarHBondContact OD1-N 2.91Å; D315-A318 CarbonylContact O-C 3.43Å; D315-A318 PolarHBondContact O-N 3.29Å; D315-R319 WeakPolarHBondContact O-CB 3.31Å; D315-R319 PolarHBondContact O-N 3.34Å; D315-Y332 VanDerWaalsContact OD1-CB 3.3Å; D315-Y332 WeakPolarHBondContact OD1-CB 3.38Å; D315-Y332 PolarHBondContact OD1-N 3.26Å
316E98Very high96.3Very high43 Ų4349.7 Ų49.720%0.20125%0.248CC..Hα-helixtrans-64.3-39.2166.9171.960.4-176.800111.6C299 D313 A318 R319 R320C299-E316 HydrophobicContact CB-CB 3.95Å; C299-E316 HydrophobicContact CB-CG 3.65Å; D313-E316 HydrophobicContact CB-CB 4Å; D313-E316 VanDerWaalsContact CG-CB 3.48Å; D313-E316 PolarHBondContact OD1-N 3.34Å; D313-E316 WeakPolarHBondContact OD2-CB 3.42Å; E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 3.29Å; E316-R319 PolarHBondContact O-N 3.39Å; E316-R319 IonicContact OE1-CZ 3.21Å; E316-R319 IonicContact OE1-NE 2.69Å; E316-R319 IonicContact OE1-NH2 3.79Å; E316-R319 PolarHBondContact OE1-NH2 2.94Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NE 3.7Å; E316-R319 PolarHBondContact OE2-NE 3.29Å; E316-R319 IonicContact OE2-NH2 3.76Å; E316-R319 PolarHBondContact OE2-NH2 2.9Å; E316-R319 VanDerWaalsContact OE2-NH2 3.14Å; E316-R320 WeakPolarHBondContact O-CG 3.35Å; E316-R320 PolarHBondContact O-N 2.9Å; E316-R320 IonicContact OE1-CZ 3.6Å; E316-R320 IonicContact OE1-NE 2.72Å; E316-R320 PolarHBondContact OE1-NE 3.29Å; E316-R320 IonicContact OE1-NH2 3.56Å; E316-R320 PolarHBondContact OE1-NH2 3.15Å
317V98.2Very high96.6Very high0 Ų050.1 Ų50.10%024%0.244CC..Hα-helixtrans-62.2-39.8172.1173.10000110.9L287 C299 I300 L311 D313 W321 L335L287-V317 HydrophobicContact CD2-CG1 3.85Å; C299-V317 HydrophobicContact CB-CG2 3.95Å; C299-V317 VanDerWaalsContact O-CG2 3.27Å; C299-V317 WeakPolarHBondContact O-CG2 3.3Å; I300-V317 HydrophobicContact CB-CG2 3.92Å; I300-V317 HydrophobicContact CG2-CG2 4.35Å; L311-V317 HydrophobicContact CD1-CG1 4.47Å; L311-V317 HydrophobicContact CD2-CG1 4.21Å; L311-V317 HydrophobicContact CD2-CG2 4.34Å; D313-V317 VanDerWaalsContact O-CG2 3.31Å; D313-V317 WeakPolarHBondContact O-CG2 3.4Å; D313-V317 PolarHBondContact O-N 2.73Å; V317-W321 WeakPolarHBondContact O-CB 3.5Å; V317-W321 PolarHBondContact O-N 2.73Å; V317-L335 HydrophobicContact CG1-CD1 4.01Å
318A98.3Very high96.6Very high1 Ų155.6 Ų55.61%0.00828%0.279CS..Hα-helixtrans-68.6-37.5175.200000112.9P314 D315 E316 W321 G322 M330 L335P314-A318 WeakPolarHBondContact O-CB 3.41Å; P314-A318 PolarHBondContact O-N 3.31Å; D315-A318 CarbonylContact O-C 3.43Å; D315-A318 PolarHBondContact O-N 3.29Å; E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 3.29Å; A318-W321 PolarHBondContact O-N 3.05Å; A318-G322 PolarHBondContact O-N 3.06Å; A318-M330 HydrophobicContact CB-CG 4.48Å; A318-M330 WeakPolarHBondContact O-CG 3.49Å; A318-L335 HydrophobicContact CB-CB 4.35Å; A318-L335 HydrophobicContact CB-CD1 4.14Å
319R97.9Very high96.6Very high116 Ų11661 Ų6144%0.43831%0.309SS..Hα-helixtrans-63-49.9175-168.2-161.162.6676.6110.8D315 E316 W321 G322 E323D315-R319 WeakPolarHBondContact O-CB 3.31Å; D315-R319 PolarHBondContact O-N 3.34Å; E316-R319 PolarHBondContact O-N 3.39Å; E316-R319 IonicContact OE1-CZ 3.21Å; E316-R319 IonicContact OE1-NE 2.69Å; E316-R319 IonicContact OE1-NH2 3.79Å; E316-R319 PolarHBondContact OE1-NH2 2.94Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NE 3.7Å; E316-R319 PolarHBondContact OE2-NE 3.29Å; E316-R319 IonicContact OE2-NH2 3.76Å; E316-R319 PolarHBondContact OE2-NH2 2.9Å; E316-R319 VanDerWaalsContact OE2-NH2 3.14Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.01Å; R319-G322 WeakPolarHBondContact O-CA 3.32Å; R319-G322 PolarHBondContact O-N 2.78Å; R319-G322 VanDerWaalsContact O-N 3.13Å; R319-E323 IonicContact CZ-OE2 2.69Å; R319-E323 IonicContact NH1-OE2 3.79Å; R319-E323 PolarHBondContact NH1-OE2 3.1Å; R319-E323 IonicContact NH2-OE2 2.75Å; R319-E323 WeakPolarHBondContact O-CB 3.46Å; R319-E323 PolarHBondContact O-N 2.88Å
320R97Very high96.6Very high72 Ų7262.7 Ų62.727%0.27232%0.317SS..Hα-helixtrans-62.2-35.6176.1-69.3-176-174.5-161.55.6112.7F286 N296 E316 R324F286-R320 HydrophobicContact CZ-CB 3.8Å; N296-R320 PolarHBondContact OD1-NH1 3.33Å; E316-R320 WeakPolarHBondContact O-CG 3.35Å; E316-R320 PolarHBondContact O-N 2.9Å; E316-R320 IonicContact OE1-CZ 3.6Å; E316-R320 IonicContact OE1-NE 2.72Å; E316-R320 PolarHBondContact OE1-NE 3.29Å; E316-R320 IonicContact OE1-NH2 3.56Å; E316-R320 PolarHBondContact OE1-NH2 3.15Å; R320-R324 VanDerWaalsContact O-CB 3.23Å; R320-R324 WeakPolarHBondContact O-CB 3.5Å; R320-R324 PolarHBondContact O-N 2.92Å
321W97.3Very high96.6Very high22 Ų2262.7 Ų62.78%0.08332%0.32CS..Hα-helixtrans-68.5-39.5173.1176.7-123.4000112.2I281 L283 F286 V317 A318 R319 R324 K325 L335I281-W321 HydrophobicContact CG2-CZ3 4.29Å; L283-W321 HydrophobicContact CB-CH2 3.84Å; L283-W321 HydrophobicContact CB-CZ2 3.73Å; L283-W321 HydrophobicContact CB-CZ3 4.38Å; L283-W321 HydrophobicContact CD1-CD2 3.72Å; L283-W321 HydrophobicContact CD1-CE3 4.04Å; L283-W321 HydrophobicContact CD1-CG 4.03Å; L283-W321 HydrophobicContact CD1-CZ2 4.26Å; L283-W321 HydrophobicContact CD1-CZ3 4.43Å; L283-W321 HydrophobicContact CG-CZ2 4.48Å; F286-W321 HydrophobicContact CB-CE3 3.9Å; F286-W321 HydrophobicContact CB-CZ3 3.72Å; F286-W321 HydrophobicContact CD1-CB 4.29Å; F286-W321 HydrophobicContact CD1-CD2 4.26Å; F286-W321 AromaticContact CD1-CE3 3.54Å; F286-W321 HydrophobicContact CD1-CE3 3.54Å; F286-W321 HydrophobicContact CD1-CZ3 4.25Å; F286-W321 HydrophobicContact CD2-CE3 4.18Å; F286-W321 HydrophobicContact CE1-CB 3.7Å; F286-W321 HydrophobicContact CE1-CE3 4.06Å; F286-W321 HydrophobicContact CE1-CG 4.44Å; F286-W321 AromaticContact CG-CE3 3.59Å; F286-W321 HydrophobicContact CG-CE3 3.59Å; F286-W321 AromaticContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CZ-CB 4.13Å; V317-W321 WeakPolarHBondContact O-CB 3.5Å; V317-W321 PolarHBondContact O-N 2.73Å; A318-W321 PolarHBondContact O-N 3.05Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.01Å; W321-R324 PolarHBondContact O-N 3Å; W321-K325 HydrophobicContact CD2-CG 3.91Å; W321-K325 HydrophobicContact CE3-CD 4.34Å; W321-K325 HydrophobicContact CE3-CG 3.82Å; W321-K325 HydrophobicContact CH2-CD 3.5Å; W321-K325 VanDerWaalsContact CH2-CD 3.5Å; W321-K325 HydrophobicContact CH2-CG 3.61Å; W321-K325 HydrophobicContact CZ2-CD 3.99Å; W321-K325 HydrophobicContact CZ2-CG 3.67Å; W321-K325 HydrophobicContact CZ3-CD 3.7Å; W321-K325 HydrophobicContact CZ3-CG 3.68Å; W321-K325 WeakPolarHBondContact O-CG 3.28Å; W321-K325 PolarHBondContact O-N 3.26Å; W321-K325 VanDerWaalsContact O-N 3.15Å; W321-L335 HydrophobicContact CB-CD1 3.85Å; W321-L335 HydrophobicContact CG-CD1 4.06Å
322G96.6Very high96.6Very high2 Ų265.1 Ų65.12%0.02133%0.33CS..Hα-helixtrans-58.8-52.6172.300000111.6A318 R319 R324 K325 S326 K327 M330A318-G322 PolarHBondContact O-N 3.06Å; R319-G322 WeakPolarHBondContact O-CA 3.32Å; R319-G322 PolarHBondContact O-N 2.78Å; R319-G322 VanDerWaalsContact O-N 3.13Å; G322-R324 PolarHBondContact O-N 3.39Å; G322-K325 CarbonylContact O-C 3.4Å; G322-K325 PolarHBondContact O-N 3.39Å; G322-K325 VanDerWaalsContact O-N 3.12Å; G322-S326 CarbonylContact O-C 3.57Å; G322-S326 WeakPolarHBondContact O-CA 3.1Å; G322-S326 PolarHBondContact O-N 2.94Å; G322-K327 VanDerWaalsContact CA-O 3.24Å; G322-K327 WeakPolarHBondContact CA-O 3.22Å; G322-K327 PolarHBondContact O-N 2.89Å; G322-M330 VanDerWaalsContact CA-CB 3.49Å
323E95.8Very high96.7Very high131 Ų13166.6 Ų66.661%0.61234%0.335SS*.Hα-helixtrans-53.5-50.3173.7-179171.5-153.600111.8R319 K325 S326R319-E323 IonicContact CZ-OE2 2.69Å; R319-E323 IonicContact NH1-OE2 3.79Å; R319-E323 PolarHBondContact NH1-OE2 3.1Å; R319-E323 IonicContact NH2-OE2 2.75Å; R319-E323 WeakPolarHBondContact O-CB 3.46Å; R319-E323 PolarHBondContact O-N 2.88Å; E323-K325 PolarHBondContact O-N 3.34Å; E323-K325 VanDerWaalsContact O-N 3.12Å; E323-S326 PolarHBondContact O-N 3.16Å
324R94.9Very high96.7Very high50 Ų5068.2 Ų68.219%0.18934%0.339CS..Hα-helixtrans-62-21.2178.7-176.159.269.889.72114.4I281 F286 E289 R320 W321 G322I281-R324 HydrophobicContact CG2-CG 3.6Å; F286-R324 HydrophobicContact CD2-CB 4.19Å; F286-R324 HydrophobicContact CD2-CG 3.85Å; F286-R324 HydrophobicContact CE2-CB 3.95Å; F286-R324 HydrophobicContact CE2-CG 4.1Å; E289-R324 VanDerWaalsContact CD-NH1 3.32Å; E289-R324 IonicContact OE1-CZ 3.17Å; E289-R324 IonicContact OE1-NH1 2.84Å; E289-R324 PolarHBondContact OE1-NH1 2.91Å; E289-R324 IonicContact OE1-NH2 2.73Å; E289-R324 PolarHBondContact OE1-NH2 3.44Å; E289-R324 IonicContact OE2-CZ 2.73Å; E289-R324 IonicContact OE2-NH1 3.63Å; E289-R324 PolarHBondContact OE2-NH1 3.18Å; E289-R324 IonicContact OE2-NH2 3.14Å; R320-R324 VanDerWaalsContact O-CB 3.23Å; R320-R324 WeakPolarHBondContact O-CB 3.5Å; R320-R324 PolarHBondContact O-N 2.92Å; W321-R324 PolarHBondContact O-N 3Å; G322-R324 PolarHBondContact O-N 3.39Å
325K94.4Very high96.7Very high60 Ų6067.6 Ų67.626%0.26134%0.335SS..THydrogen-bonded Turntrans-115.18.5-179-58.8-64.8-74.1-170.80113.2G279 I281 W321 G322 E323 K327G279-K325 WeakPolarHBondContact O-CD 3.27Å; G279-K325 WeakPolarHBondContact O-CE 3.46Å; G279-K325 PolarHBondContact O-NZ 3.29Å; I281-K325 HydrophobicContact CG2-CD 4.38Å; I281-K325 PolarHBondContact O-NZ 3.48Å; W321-K325 HydrophobicContact CD2-CG 3.91Å; W321-K325 HydrophobicContact CE3-CD 4.34Å; W321-K325 HydrophobicContact CE3-CG 3.82Å; W321-K325 HydrophobicContact CH2-CD 3.5Å; W321-K325 VanDerWaalsContact CH2-CD 3.5Å; W321-K325 HydrophobicContact CH2-CG 3.61Å; W321-K325 HydrophobicContact CZ2-CD 3.99Å; W321-K325 HydrophobicContact CZ2-CG 3.67Å; W321-K325 HydrophobicContact CZ3-CD 3.7Å; W321-K325 HydrophobicContact CZ3-CG 3.68Å; W321-K325 WeakPolarHBondContact O-CG 3.28Å; W321-K325 PolarHBondContact O-N 3.26Å; W321-K325 VanDerWaalsContact O-N 3.15Å; G322-K325 CarbonylContact O-C 3.4Å; G322-K325 PolarHBondContact O-N 3.39Å; G322-K325 VanDerWaalsContact O-N 3.12Å; E323-K325 PolarHBondContact O-N 3.34Å; E323-K325 VanDerWaalsContact O-N 3.12Å; K325-K327 HydrophobicContact CB-CG 4.28Å; K325-K327 WeakPolarHBondContact O-CG 3.29Å; K325-K327 PolarHBondContact O-N 2.71Å
326S93Very high96.7Very high111 Ų11163.2 Ų63.278%0.77631%0.312SS*.THydrogen-bonded Turntrans51.836-172.9-52.90000114.1G322 E323 P328G322-S326 CarbonylContact O-C 3.57Å; G322-S326 WeakPolarHBondContact O-CA 3.1Å; G322-S326 PolarHBondContact O-N 2.94Å; E323-S326 PolarHBondContact O-N 3.16Å; S326-P328 WeakPolarHBondContact O-CD 3.08Å
327K93.9Very high96.6Very high115 Ų11566 Ų6650%0.532%0.32SS..  trans-110.789.7177.8-63.2-160.7176-163.80110G322 K325 N329 M330G322-K327 VanDerWaalsContact CA-O 3.24Å; G322-K327 WeakPolarHBondContact CA-O 3.22Å; G322-K327 PolarHBondContact O-N 2.89Å; K325-K327 HydrophobicContact CB-CG 4.28Å; K325-K327 WeakPolarHBondContact O-CG 3.29Å; K325-K327 PolarHBondContact O-N 2.71Å; K327-N329 VanDerWaalsContact C-N 3.29Å; K327-N329 PolarHBondContact O-N 3.05Å; K327-M330 HydrophobicContact CB-CE 4.1Å; K327-M330 HydrophobicContact CD-CE 4.22Å; K327-M330 VanDerWaalsContact O-CB 3.29Å; K327-M330 WeakPolarHBondContact O-CB 3.49Å; K327-M330 PolarHBondContact O-N 2.9Å
328P93.2Very high96.6Very high119 Ų11967.4 Ų67.477%0.77333%0.332SS*.THydrogen-bonded Turntrans-63.5-34.6-176.124.6-34000112.5S326 M330S326-P328 WeakPolarHBondContact O-CD 3.08Å; P328-M330 PolarHBondContact O-N 3.23Å
329N96.5Very high96.5Very high130 Ų13067.3 Ų67.370%0.69533%0.332SS*.THydrogen-bonded Turntrans-80.231.5178.2-62.5-18.4000113K327 K334K327-N329 VanDerWaalsContact C-N 3.29Å; K327-N329 PolarHBondContact O-N 3.05Å; N329-K334 WeakPolarHBondContact O-CD 3.47Å; N329-K334 PolarHBondContact O-NZ 3.28Å
330M97.5Very high96.5Very high34 Ų3466.5 Ų66.517%0.16733%0.329CS..  trans-84.2141.8174.2-170.96268.300110.5A318 G322 K327 P328 K334A318-M330 HydrophobicContact CB-CG 4.48Å; A318-M330 WeakPolarHBondContact O-CG 3.49Å; G322-M330 VanDerWaalsContact CA-CB 3.49Å; K327-M330 HydrophobicContact CB-CE 4.1Å; K327-M330 HydrophobicContact CD-CE 4.22Å; K327-M330 VanDerWaalsContact O-CB 3.29Å; K327-M330 WeakPolarHBondContact O-CB 3.49Å; K327-M330 PolarHBondContact O-N 2.9Å; P328-M330 PolarHBondContact O-N 3.23Å; M330-K334 HydrophobicContact SD-CB 3.84Å
331N97.9Very high96.5Very high68 Ų6869.2 Ų69.236%0.36434%0.34SS..  trans-151.2170177.963.17.3000110D333 K334 L335N331-D333 VanDerWaalsContact C-N 3.27Å; N331-D333 PolarHBondContact O-N 3.32Å; N331-K334 PolarHBondContact O-N 2.89Å; N331-K334 WeakPolarHBondContact OD1-CB 3.4Å; N331-K334 WeakPolarHBondContact OD1-CD 3.47Å; N331-K334 VanDerWaalsContact OD1-CG 3.27Å; N331-K334 WeakPolarHBondContact OD1-CG 3.35Å; N331-K334 PolarHBondContact OD1-N 3Å; N331-K334 VanDerWaalsContact OD1-N 3.09Å; N331-L335 PolarHBondContact O-N 3.41Å
332Y98.4Very high96.5Very high51 Ų5169.5 Ų69.520%0.234%0.341CS..Hα-helixtrans-60.8-30.8-177.4172.1-102.5000113.9L311 P314 D315 L335 S336 Y356 Y358L311-Y332 HydrophobicContact CD1-CD2 4.13Å; L311-Y332 HydrophobicContact CD1-CE2 3.86Å; P314-Y332 HydrophobicContact CB-CD2 3.51Å; P314-Y332 HydrophobicContact CB-CE2 4.01Å; P314-Y332 HydrophobicContact CB-CG 3.83Å; D315-Y332 VanDerWaalsContact OD1-CB 3.3Å; D315-Y332 WeakPolarHBondContact OD1-CB 3.38Å; D315-Y332 PolarHBondContact OD1-N 3.26Å; Y332-L335 HydrophobicContact CD2-CD2 4.5Å; Y332-L335 PolarHBondContact O-N 3.15Å; Y332-S336 WeakPolarHBondContact O-CB 3.24Å; Y332-S336 PolarHBondContact O-N 3.36Å; Y332-S336 PolarHBondContact O-OG 3.03Å; Y332-Y356 HydrophobicContact CD1-CE1 4.1Å; Y332-Y356 AromaticContact CE1-CD1 3.94Å; Y332-Y356 HydrophobicContact CE1-CD1 3.94Å; Y332-Y356 AromaticContact CE1-CE1 3.61Å; Y332-Y356 HydrophobicContact CE1-CE1 3.61Å; Y332-Y356 AromaticContact CE2-CD1 3.93Å; Y332-Y356 HydrophobicContact CE2-CD1 3.93Å; Y332-Y356 HydrophobicContact CE2-CE1 4.37Å; Y332-Y356 AromaticContact CZ-CD1 3.55Å; Y332-Y356 AromaticContact CZ-CE1 3.75Å; Y332-Y358 PolarHBondContact OH-OH 3.3Å; Y332-Y358 VanDerWaalsContact OH-OH 3.06Å
333D97.6Very high96.5Very high97 Ų9772.6 Ų72.652%0.51935%0.352SS..Hα-helixtrans-61.6-51.3175.4177.958000111.6N331 L335 S336 R337 R340N331-D333 VanDerWaalsContact C-N 3.27Å; N331-D333 PolarHBondContact O-N 3.32Å; D333-L335 PolarHBondContact O-N 2.78Å; D333-S336 PolarHBondContact O-N 2.95Å; D333-S336 PolarHBondContact O-OG 3.24Å; D333-R337 PolarHBondContact O-N 3.28Å; D333-R340 IonicContact OD1-NH2 3.33Å
334K97.6Very high96.4Very high103 Ų10373.2 Ų73.245%0.44836%0.36SS..Hα-helixtrans-62.3-40.9177.8-68.3169.6-169.6177.60112.2N329 M330 N331 R337 A338N329-K334 WeakPolarHBondContact O-CD 3.47Å; N329-K334 PolarHBondContact O-NZ 3.28Å; M330-K334 HydrophobicContact SD-CB 3.84Å; N331-K334 PolarHBondContact O-N 2.89Å; N331-K334 WeakPolarHBondContact OD1-CB 3.4Å; N331-K334 WeakPolarHBondContact OD1-CD 3.47Å; N331-K334 VanDerWaalsContact OD1-CG 3.27Å; N331-K334 WeakPolarHBondContact OD1-CG 3.35Å; N331-K334 PolarHBondContact OD1-N 3Å; N331-K334 VanDerWaalsContact OD1-N 3.09Å; K334-R337 PolarHBondContact O-N 3.08Å; K334-A338 PolarHBondContact O-N 3.14Å
335L98.2Very high96.4Very high0 Ų077.2 Ų77.20%038%0.379CS..Hα-helixtrans-63.6-47.6175.1-175.4150.2000111L283 L311 V317 A318 W321 N331 Y332 D333 R337 A338 L339L283-L335 HydrophobicContact CD1-CD1 4.24Å; L283-L335 HydrophobicContact CD1-CG 4.3Å; L283-L335 HydrophobicContact CD2-CG 4.29Å; L311-L335 HydrophobicContact CD1-CD2 4.39Å; V317-L335 HydrophobicContact CG1-CD1 4.01Å; A318-L335 HydrophobicContact CB-CB 4.35Å; A318-L335 HydrophobicContact CB-CD1 4.14Å; W321-L335 HydrophobicContact CB-CD1 3.85Å; W321-L335 HydrophobicContact CG-CD1 4.06Å; N331-L335 PolarHBondContact O-N 3.41Å; Y332-L335 HydrophobicContact CD2-CD2 4.5Å; Y332-L335 PolarHBondContact O-N 3.15Å; D333-L335 PolarHBondContact O-N 2.78Å; L335-R337 VanDerWaalsContact C-N 3.29Å; L335-R337 PolarHBondContact O-N 3.39Å; L335-A338 WeakPolarHBondContact O-CA 3.38Å; L335-A338 VanDerWaalsContact O-CB 3.29Å; L335-A338 WeakPolarHBondContact O-CB 3.26Å; L335-A338 PolarHBondContact O-N 3.49Å; L335-L339 HydrophobicContact CD2-CD1 3.68Å; L335-L339 HydrophobicContact CD2-CD2 4.47Å; L335-L339 HydrophobicContact CD2-CG 3.99Å; L335-L339 PolarHBondContact O-N 2.88Å
336S97.8Very high96.4Very high3 Ų378.6 Ų78.62%0.02139%0.389CS..Hα-helixtrans-68.1-27.8179.574.60000112.6Y332 D333 A338 L339 R340Y332-S336 WeakPolarHBondContact O-CB 3.24Å; Y332-S336 PolarHBondContact O-N 3.36Å; Y332-S336 PolarHBondContact O-OG 3.03Å; D333-S336 PolarHBondContact O-N 2.95Å; D333-S336 PolarHBondContact O-OG 3.24Å; S336-A338 VanDerWaalsContact C-N 3.3Å; S336-L339 PolarHBondContact O-N 2.92Å; S336-R340 VanDerWaalsContact O-CG 3.28Å; S336-R340 WeakPolarHBondContact O-CG 3.4Å; S336-R340 PolarHBondContact O-N 3.06Å; S336-R340 VanDerWaalsContact O-N 3.11Å; S336-R340 PolarHBondContact O-NE 3.45Å; S336-R340 PolarHBondContact OG-NH2 3.25Å
337R97.5Very high96.5Very high100 Ų10073.8 Ų73.838%0.37735%0.354SS..Hα-helixtrans-64.3-35.6168.6-177.763.6-16696.6-15.5111.8D333 K334 L335 Y341D333-R337 PolarHBondContact O-N 3.28Å; K334-R337 PolarHBondContact O-N 3.08Å; L335-R337 VanDerWaalsContact C-N 3.29Å; L335-R337 PolarHBondContact O-N 3.39Å; R337-Y341 HydrophobicContact CG-CE2 4.34Å; R337-Y341 VanDerWaalsContact NH2-CE1 3.27Å; R337-Y341 VanDerWaalsContact NH2-CZ 3.32Å; R337-Y341 PolarHBondContact NH2-OH 3.21Å; R337-Y341 VanDerWaalsContact O-CD2 3.26Å; R337-Y341 WeakPolarHBondContact O-CD2 3.46Å
338A96.6Very high96.6Very high30 Ų3068.3 Ų68.325%0.24833%0.33CS..Hα-helixtrans-67.4-44.2172.900000111.9L283 K334 L335 S336 R340 Y341L283-A338 HydrophobicContact CD2-CB 3.53Å; K334-A338 PolarHBondContact O-N 3.14Å; L335-A338 WeakPolarHBondContact O-CA 3.38Å; L335-A338 VanDerWaalsContact O-CB 3.29Å; L335-A338 WeakPolarHBondContact O-CB 3.26Å; L335-A338 PolarHBondContact O-N 3.49Å; S336-A338 VanDerWaalsContact C-N 3.3Å; A338-R340 VanDerWaalsContact C-N 3.29Å; A338-R340 PolarHBondContact O-N 3.21Å; A338-Y341 PolarHBondContact O-N 3.38Å; A338-Y341 VanDerWaalsContact O-N 3.11Å
339L97.7Very high96.7Very high0 Ų064.9 Ų64.90%031%0.307CS..Hα-helixtrans-59-37176.4-58.2179.8000112.9L283 L287 L335 S336 Y341 Y342 Y343 M348 Y358L283-L339 HydrophobicContact CD2-CD2 3.54Å; L283-L339 HydrophobicContact CD2-CG 4.18Å; L283-L339 HydrophobicContact CG-CD2 3.98Å; L287-L339 HydrophobicContact CD1-CD2 3.64Å; L335-L339 HydrophobicContact CD2-CD1 3.68Å; L335-L339 HydrophobicContact CD2-CD2 4.47Å; L335-L339 HydrophobicContact CD2-CG 3.99Å; L335-L339 PolarHBondContact O-N 2.88Å; S336-L339 PolarHBondContact O-N 2.92Å; L339-Y341 PolarHBondContact O-N 2.94Å; L339-Y342 HydrophobicContact CD2-CD2 4.4Å; L339-Y342 WeakPolarHBondContact O-CB 3.39Å; L339-Y342 PolarHBondContact O-N 3.19Å; L339-Y343 WeakPolarHBondContact O-CE1 3.37Å; L339-M348 HydrophobicContact CB-SD 4.17Å; L339-M348 HydrophobicContact CD2-CE 4.02Å; L339-M348 HydrophobicContact CD2-SD 3.67Å; L339-M348 HydrophobicContact CG-SD 4.4Å; L339-Y358 HydrophobicContact CB-CE1 4.12Å; L339-Y358 HydrophobicContact CD1-CD1 4.25Å; L339-Y358 HydrophobicContact CD1-CD2 4.23Å; L339-Y358 HydrophobicContact CD1-CE1 3.74Å; L339-Y358 HydrophobicContact CD1-CE2 3.72Å; L339-Y358 HydrophobicContact CD1-CG 4.48Å; L339-Y358 VanDerWaalsContact CD1-CZ 3.44Å
340R97.1Very high96.8Very high99 Ų9963.2 Ų63.237%0.37429%0.294SS..Hα-helixtrans-58.7-30.8176.5-68.6165.8-139.9160.86.8113.3D333 S336 A338 Y342 Y343D333-R340 IonicContact OD1-NH2 3.33Å; S336-R340 VanDerWaalsContact O-CG 3.28Å; S336-R340 WeakPolarHBondContact O-CG 3.4Å; S336-R340 PolarHBondContact O-N 3.06Å; S336-R340 VanDerWaalsContact O-N 3.11Å; S336-R340 PolarHBondContact O-NE 3.45Å; S336-R340 PolarHBondContact OG-NH2 3.25Å; A338-R340 VanDerWaalsContact C-N 3.29Å; A338-R340 PolarHBondContact O-N 3.21Å; R340-Y342 PolarHBondContact O-N 3.13Å; R340-Y343 HydrophobicContact CB-CE2 4.21Å; R340-Y343 HydrophobicContact CG-CE2 4Å; R340-Y343 PolarHBondContact O-N 3.14Å
341Y96.7Very high96.7Very high129 Ų12962.4 Ų62.451%0.50629%0.291SS..THydrogen-bonded Turntrans-74.6-5.9176.7-65.9-69.9000114.2R337 A338 L339R337-Y341 HydrophobicContact CG-CE2 4.34Å; R337-Y341 VanDerWaalsContact NH2-CE1 3.27Å; R337-Y341 VanDerWaalsContact NH2-CZ 3.32Å; R337-Y341 PolarHBondContact NH2-OH 3.21Å; R337-Y341 VanDerWaalsContact O-CD2 3.26Å; R337-Y341 WeakPolarHBondContact O-CD2 3.46Å; A338-Y341 PolarHBondContact O-N 3.38Å; A338-Y341 VanDerWaalsContact O-N 3.11Å; L339-Y341 PolarHBondContact O-N 2.94Å
342Y97.1Very high96.6Very high28 Ų2866.6 Ų66.611%0.1131%0.308CS..THydrogen-bonded Turntrans-92.6-10177-67.8-42.2000113.8L283 W284 L339 R340 K345 N346 I347 M348L283-Y342 HydrophobicContact CB-CE2 4.05Å; L283-Y342 HydrophobicContact CD2-CE2 4.34Å; L283-Y342 HydrophobicContact CG-CE2 4.29Å; L283-Y342 PolarHBondContact N-OH 2.97Å; W284-Y342 HydrophobicContact CB-CE2 4.14Å; W284-Y342 AromaticContact CD1-CE1 3.9Å; W284-Y342 AromaticContact CD1-CZ 3.74Å; W284-Y342 PolarHBondContact N-OH 3.4Å; L339-Y342 HydrophobicContact CD2-CD2 4.4Å; L339-Y342 WeakPolarHBondContact O-CB 3.39Å; L339-Y342 PolarHBondContact O-N 3.19Å; R340-Y342 PolarHBondContact O-N 3.13Å; Y342-K345 PolarHBondContact O-N 2.69Å; Y342-N346 PolarHBondContact O-N 3.38Å; Y342-I347 HydrophobicContact CD1-CB 4.34Å; Y342-I347 HydrophobicContact CD1-CD1 3.81Å; Y342-I347 HydrophobicContact CD1-CG2 4.39Å; Y342-I347 HydrophobicContact CE1-CD1 4.2Å; Y342-I347 HydrophobicContact CG-CB 4.39Å; Y342-I347 HydrophobicContact CG-CG2 4.35Å; Y342-I347 PolarHBondContact O-N 2.91Å; Y342-M348 VanDerWaalsContact CB-CG 3.47Å; Y342-M348 HydrophobicContact CD2-CE 3.9Å; Y342-M348 HydrophobicContact CD2-CG 4.14Å; Y342-M348 HydrophobicContact CD2-SD 3.88Å; Y342-M348 HydrophobicContact CE2-CE 4.43Å; Y342-M348 HydrophobicContact CG-CG 4.24Å
343Y96.9Very high96.4Very high66 Ų6668.5 Ų68.526%0.25934%0.344SS..THydrogen-bonded Turntrans-66.8-52.6178.8-55.4-11.1000110.5L339 R340 K345 N346 M348 K350L339-Y343 WeakPolarHBondContact O-CE1 3.37Å; R340-Y343 HydrophobicContact CB-CE2 4.21Å; R340-Y343 HydrophobicContact CG-CE2 4Å; R340-Y343 PolarHBondContact O-N 3.14Å; Y343-K345 PolarHBondContact O-N 3.2Å; Y343-K345 VanDerWaalsContact O-N 3.08Å; Y343-N346 PolarHBondContact O-N 2.84Å; Y343-N346 VanDerWaalsContact O-N 3.14Å; Y343-M348 WeakPolarHBondContact CA-O 3.31Å; Y343-M348 WeakPolarHBondContact CD1-O 3.45Å; Y343-K350 HydrophobicContact CE1-CB 4.41Å
344D94.5Very high96.3Very high144 Ų14467.3 Ų67.377%0.7733%0.334SS*.THydrogen-bonded Turntrans-68.2-8178.6-46.9-44.3000113.4
345K93.7Very high96.3Very high134 Ų13471 Ų7158%0.58335%0.345SS*.THydrogen-bonded Turntrans-103.80.9178.6-62.9-170.4177.4-168.70113.4Y342 Y343 I347Y342-K345 PolarHBondContact O-N 2.69Å; Y343-K345 PolarHBondContact O-N 3.2Å; Y343-K345 VanDerWaalsContact O-N 3.08Å; K345-I347 HydrophobicContact CB-CD1 3.88Å; K345-I347 HydrophobicContact CB-CG1 4.13Å; K345-I347 HydrophobicContact CD-CD1 4.31Å; K345-I347 PolarHBondContact O-N 3.28Å; K345-I347 VanDerWaalsContact O-N 3.13Å
346N94.5Very high96.2Very high90 Ų9074.2 Ų74.248%0.48136%0.357SS..THydrogen-bonded Turntrans54.528-176.1-64.993.7000114.2Y342 Y343 D361 G364Y342-N346 PolarHBondContact O-N 3.38Å; Y343-N346 PolarHBondContact O-N 2.84Å; Y343-N346 VanDerWaalsContact O-N 3.14Å; N346-D361 VanDerWaalsContact O-CB 3.29Å; N346-D361 WeakPolarHBondContact O-CB 3.28Å; N346-G364 CarbonylContact O-C 3.54Å; N346-G364 WeakPolarHBondContact O-CA 3.44Å; N346-G364 PolarHBondContact O-N 2.7Å
347I95.5Very high96.2Very high9 Ų974.1 Ų74.15%0.04636%0.357CS..SBendtrans-90.3-37.4177.5-67.5165.3000110.1W284 Y342 K345 D361 L365 A368W284-I347 HydrophobicContact CB-CG2 3.95Å; W284-I347 HydrophobicContact CG-CG2 4.09Å; Y342-I347 HydrophobicContact CD1-CB 4.34Å; Y342-I347 HydrophobicContact CD1-CD1 3.81Å; Y342-I347 HydrophobicContact CD1-CG2 4.39Å; Y342-I347 HydrophobicContact CE1-CD1 4.2Å; Y342-I347 HydrophobicContact CG-CB 4.39Å; Y342-I347 HydrophobicContact CG-CG2 4.35Å; Y342-I347 PolarHBondContact O-N 2.91Å; K345-I347 HydrophobicContact CB-CD1 3.88Å; K345-I347 HydrophobicContact CB-CG1 4.13Å; K345-I347 HydrophobicContact CD-CD1 4.31Å; K345-I347 PolarHBondContact O-N 3.28Å; K345-I347 VanDerWaalsContact O-N 3.13Å; I347-D361 PolarHBondContact O-N 3.07Å; I347-L365 HydrophobicContact CG2-CD1 4.15Å; I347-A368 HydrophobicContact CD1-CB 3.55Å; I347-A368 HydrophobicContact CG1-CB 3.76Å
348M96.1Very high96.2Very high0 Ų069.6 Ų69.60%034%0.34CS..EExtended strand (participates in β ladder)trans-156.4164.5172.958.7171.467.800111.2W284 L287 F309 L339 Y342 Y343 R359 F360W284-M348 HydrophobicContact CB-CE 4.43Å; L287-M348 HydrophobicContact CD1-CE 4.14Å; F309-M348 HydrophobicContact CZ-CE 4.25Å; L339-M348 HydrophobicContact CB-SD 4.17Å; L339-M348 HydrophobicContact CD2-CE 4.02Å; L339-M348 HydrophobicContact CD2-SD 3.67Å; L339-M348 HydrophobicContact CG-SD 4.4Å; Y342-M348 VanDerWaalsContact CB-CG 3.47Å; Y342-M348 HydrophobicContact CD2-CE 3.9Å; Y342-M348 HydrophobicContact CD2-CG 4.14Å; Y342-M348 HydrophobicContact CD2-SD 3.88Å; Y342-M348 HydrophobicContact CE2-CE 4.43Å; Y342-M348 HydrophobicContact CG-CG 4.24Å; Y343-M348 WeakPolarHBondContact CA-O 3.31Å; Y343-M348 WeakPolarHBondContact CD1-O 3.45Å; M348-R359 CarbonylContact C-O 3.44Å; M348-R359 WeakPolarHBondContact CA-O 3.5Å; M348-R359 VanDerWaalsContact CB-O 3.28Å; M348-R359 WeakPolarHBondContact CB-O 3.44Å; M348-F360 HydrophobicContact CB-CD1 4.36Å; M348-F360 HydrophobicContact CE-CD1 4.18Å; M348-F360 HydrophobicContact CE-CE1 3.58Å; M348-F360 HydrophobicContact CE-CZ 4.02Å
349T96.6Very high96.2Very high47 Ų4773.1 Ų73.129%0.28835%0.347SS..EExtended strand (participates in β ladder)trans-131.2162.717655.80000110.2Y358 R359T349-Y358 CarbonylContact O-C 3.59Å; T349-Y358 WeakPolarHBondContact O-CA 3.34Å; T349-R359 PolarHBondContact N-O 2.98Å; T349-R359 PolarHBondContact O-N 3.37Å
350K96.6Very high96.2Very high96 Ų9673.3 Ų73.342%0.41735%0.348SS..EExtended strand (participates in β ladder)trans-84.6134.5172.6-169.1-176.9177.1-173.20110.1Y343 H352 Y358Y343-K350 HydrophobicContact CE1-CB 4.41Å; K350-H352 PolarHBondContact O-CD2 3.47Å; K350-H352 VanDerWaalsContact O-CD2 3.29Å; K350-H352 PolarHBondContact O-N 2.97Å; K350-Y358 HydrophobicContact CG-CE1 4.38Å
351V96.5Very high96.1Very high17 Ų1770.6 Ų70.610%0.10334%0.34CS..  trans-79.7114167.9-178.40000108.1E308 K354 A357 R359E308-V351 HydrophobicContact CG-CG2 4.34Å; V351-K354 HydrophobicContact CG1-CB 4.17Å; V351-K354 HydrophobicContact CG1-CD 3.92Å; V351-K354 HydrophobicContact CG1-CG 4.06Å; V351-A357 HydrophobicContact CB-CB 3.94Å; V351-A357 HydrophobicContact CG2-CB 4.39Å; V351-A357 PolarHBondContact N-O 3Å; V351-R359 HydrophobicContact CG2-CB 4.17Å
352H95.2Very high95.9Very high155 Ų15569.5 Ų69.572%0.71834%0.338SS*.SBendtrans-75.8152.4176.8-71.4-106.3000110.5K350 K354K350-H352 PolarHBondContact O-CD2 3.47Å; K350-H352 VanDerWaalsContact O-CD2 3.29Å; K350-H352 PolarHBondContact O-N 2.97Å; H352-K354 PolarHBondContact O-N 3.35Å; H352-K354 VanDerWaalsContact O-N 3.17Å
353G95.4Very high95.6Very high92 Ų9272.9 Ų72.995%0.94836%0.362SS*.SBendtrans81.6-33-174.200000115
354K94.9Very high95.3Very high71 Ų7169.9 Ų69.931%0.30935%0.351SS..SBendtrans-90.2146.2174.7-66.9-171.8-173.5-177.80112.3E303 E308 V351 H352 A357E303-K354 PolarHBondContact O-NZ 3.16Å; E303-K354 WeakPolarHBondContact OE1-CD 3.45Å; E303-K354 VanDerWaalsContact OE1-CE 3.28Å; E303-K354 WeakPolarHBondContact OE1-CE 3.41Å; E303-K354 IonicContact OE1-NZ 3.39Å; E303-K354 PolarHBondContact OE1-NZ 2.88Å; E308-K354 IonicContact OE2-NZ 2.78Å; V351-K354 HydrophobicContact CG1-CB 4.17Å; V351-K354 HydrophobicContact CG1-CD 3.92Å; V351-K354 HydrophobicContact CG1-CG 4.06Å; H352-K354 PolarHBondContact O-N 3.35Å; H352-K354 VanDerWaalsContact O-N 3.17Å; K354-A357 HydrophobicContact CB-CB 3.54Å; K354-A357 HydrophobicContact CD-CB 3.87Å; K354-A357 HydrophobicContact CG-CB 4.37Å
355R96.7Very high95.2Very high181 Ų18163.5 Ų63.568%0.68332%0.317SS*.SBendtrans-83.1138.9168.4-75.1-178.366.8-168.21.5110.3A357R355-A357 PolarHBondContact O-N 3.47Å
356Y97.6Very high95.1Very high67 Ų6759 Ų5926%0.26330%0.304SS..SBendtrans53.621.4176.6-47.2-69.5000116.1K310 L311 P314 Y332 Y358K310-Y356 WeakPolarHBondContact CA-O 3.32Å; L311-Y356 PolarHBondContact N-O 3.37Å; L311-Y356 WeakPolarHBondContact O-CB 3.4Å; P314-Y356 HydrophobicContact CB-CD1 3.83Å; P314-Y356 HydrophobicContact CB-CE1 4.06Å; P314-Y356 HydrophobicContact CB-CG 4.27Å; P314-Y356 HydrophobicContact CG-CD1 3.95Å; P314-Y356 HydrophobicContact CG-CD2 4.33Å; P314-Y356 HydrophobicContact CG-CE1 3.81Å; P314-Y356 HydrophobicContact CG-CE2 4.21Å; P314-Y356 HydrophobicContact CG-CG 4.21Å; Y332-Y356 HydrophobicContact CD1-CE1 4.1Å; Y332-Y356 AromaticContact CE1-CD1 3.94Å; Y332-Y356 HydrophobicContact CE1-CD1 3.94Å; Y332-Y356 AromaticContact CE1-CE1 3.61Å; Y332-Y356 HydrophobicContact CE1-CE1 3.61Å; Y332-Y356 AromaticContact CE2-CD1 3.93Å; Y332-Y356 HydrophobicContact CE2-CD1 3.93Å; Y332-Y356 HydrophobicContact CE2-CE1 4.37Å; Y332-Y356 AromaticContact CZ-CD1 3.55Å; Y332-Y356 AromaticContact CZ-CE1 3.75Å; Y356-Y358 WeakPolarHBondContact O-CD2 3.36Å
357A97.2Very high94.8Very high1 Ų160.5 Ų60.51%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-105.3142.4-178.500000112.6F309 K310 V351 K354 R355F309-A357 CarbonylContact O-C 3.59Å; F309-A357 VanDerWaalsContact O-CA 3.3Å; F309-A357 WeakPolarHBondContact O-CA 3.36Å; K310-A357 HydrophobicContact CB-CB 4.43Å; V351-A357 HydrophobicContact CB-CB 3.94Å; V351-A357 HydrophobicContact CG2-CB 4.39Å; V351-A357 PolarHBondContact N-O 3Å; K354-A357 HydrophobicContact CB-CB 3.54Å; K354-A357 HydrophobicContact CD-CB 3.87Å; K354-A357 HydrophobicContact CG-CB 4.37Å; R355-A357 PolarHBondContact O-N 3.47Å
358Y97.9Very high94.5Very high5 Ų560.6 Ų60.62%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-144.9156.6-171.3-64.6-87.1000109.2E308 F309 L311 Y332 L339 T349 K350 Y356E308-Y358 WeakPolarHBondContact CA-O 3.43Å; F309-Y358 WeakPolarHBondContact CD1-O 3.45Å; F309-Y358 HydrophobicContact CE2-CD2 4.29Å; F309-Y358 HydrophobicContact CE2-CG 4.49Å; F309-Y358 VanDerWaalsContact CZ-CB 3.47Å; F309-Y358 HydrophobicContact CZ-CD2 4.44Å; F309-Y358 HydrophobicContact CZ-CG 4.19Å; F309-Y358 PolarHBondContact N-O 2.9Å; F309-Y358 PolarHBondContact O-N 3.09Å; F309-Y358 VanDerWaalsContact O-O 3.06Å; L311-Y358 HydrophobicContact CD1-CE2 4.48Å; Y332-Y358 PolarHBondContact OH-OH 3.3Å; Y332-Y358 VanDerWaalsContact OH-OH 3.06Å; L339-Y358 HydrophobicContact CB-CE1 4.12Å; L339-Y358 HydrophobicContact CD1-CD1 4.25Å; L339-Y358 HydrophobicContact CD1-CD2 4.23Å; L339-Y358 HydrophobicContact CD1-CE1 3.74Å; L339-Y358 HydrophobicContact CD1-CE2 3.72Å; L339-Y358 HydrophobicContact CD1-CG 4.48Å; L339-Y358 VanDerWaalsContact CD1-CZ 3.44Å; T349-Y358 CarbonylContact O-C 3.59Å; T349-Y358 WeakPolarHBondContact O-CA 3.34Å; K350-Y358 HydrophobicContact CG-CE1 4.38Å; Y356-Y358 WeakPolarHBondContact O-CD2 3.36Å
359R96.6Very high94Very high105 Ų10562.3 Ų62.340%0.39632%0.319SS..EExtended strand (participates in β ladder)trans-128.3126.3175.8-172.2169.161.7-131.46.7110.6G307 E308 M348 T349 V351G307-R359 WeakPolarHBondContact O-CA 3.4Å; E308-R359 HydrophobicContact CG-CB 3.89Å; E308-R359 VanDerWaalsContact CG-CD 3.49Å; E308-R359 HydrophobicContact CG-CG 3.66Å; E308-R359 IonicContact OE1-CZ 2.67Å; E308-R359 IonicContact OE1-NH1 2.72Å; E308-R359 PolarHBondContact OE1-NH1 3.39Å; M348-R359 CarbonylContact C-O 3.44Å; M348-R359 WeakPolarHBondContact CA-O 3.5Å; M348-R359 VanDerWaalsContact CB-O 3.28Å; M348-R359 WeakPolarHBondContact CB-O 3.44Å; T349-R359 PolarHBondContact N-O 2.98Å; T349-R359 PolarHBondContact O-N 3.37Å; V351-R359 HydrophobicContact CG2-CB 4.17Å
360F97Very high93.1Very high4 Ų463.6 Ų63.62%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-67.4138.1167.6-73.8-79.2000110.6W284 L287 L288 L291 W302 G307 F309 M348 L365W284-F360 HydrophobicContact CB-CE1 4.2Å; L287-F360 HydrophobicContact CB-CZ 4.2Å; L288-F360 HydrophobicContact CD1-CE1 4.43Å; L288-F360 HydrophobicContact CD2-CD2 4.01Å; L288-F360 HydrophobicContact CD2-CE1 4.22Å; L288-F360 HydrophobicContact CD2-CE2 3.55Å; L288-F360 HydrophobicContact CD2-CZ 3.67Å; L288-F360 HydrophobicContact CG-CE1 4.12Å; L288-F360 HydrophobicContact CG-CE2 4.16Å; L288-F360 HydrophobicContact CG-CZ 3.74Å; L291-F360 HydrophobicContact CD1-CE2 3.93Å; W302-F360 AromaticContact CH2-CD2 3.97Å; W302-F360 HydrophobicContact CH2-CD2 3.97Å; W302-F360 HydrophobicContact CH2-CE2 4.12Å; W302-F360 AromaticContact CZ3-CD2 3.95Å; W302-F360 HydrophobicContact CZ3-CD2 3.95Å; W302-F360 HydrophobicContact CZ3-CE2 4.33Å; G307-F360 PolarHBondContact O-N 2.68Å; F309-F360 AromaticContact CD1-CD2 3.55Å; F309-F360 HydrophobicContact CD1-CD2 3.55Å; F309-F360 AromaticContact CD1-CE2 3.46Å; F309-F360 HydrophobicContact CD1-CE2 3.46Å; F309-F360 VanDerWaalsContact CD1-CE2 3.46Å; F309-F360 HydrophobicContact CD1-CZ 4.46Å; F309-F360 AromaticContact CE1-CD2 3.45Å; F309-F360 HydrophobicContact CE1-CD2 3.45Å; F309-F360 VanDerWaalsContact CE1-CD2 3.45Å; F309-F360 AromaticContact CE1-CE2 3.2Å; F309-F360 HydrophobicContact CE1-CE2 3.2Å; F309-F360 HydrophobicContact CE1-CG 4.24Å; F309-F360 AromaticContact CE1-CZ 3.82Å; F309-F360 HydrophobicContact CE1-CZ 3.82Å; F309-F360 HydrophobicContact CG-CE2 4.31Å; F309-F360 AromaticContact CZ-CE2 3.89Å; F309-F360 HydrophobicContact CZ-CE2 3.89Å; F309-F360 HydrophobicContact CZ-CZ 4.14Å; M348-F360 HydrophobicContact CB-CD1 4.36Å; M348-F360 HydrophobicContact CE-CD1 4.18Å; M348-F360 HydrophobicContact CE-CE1 3.58Å; M348-F360 HydrophobicContact CE-CZ 4.02Å; F360-L365 HydrophobicContact CD1-CD1 4.24Å; F360-L365 HydrophobicContact CD1-CD2 4.3Å
361D95.1Very high91.9Very high42 Ų4263.7 Ų63.723%0.22533%0.334CS..  trans-101.7104.9168.3171.7-0.1000107.2N346 I347 T363 G364 L365N346-D361 VanDerWaalsContact O-CB 3.29Å; N346-D361 WeakPolarHBondContact O-CB 3.28Å; I347-D361 PolarHBondContact O-N 3.07Å; D361-T363 PolarHBondContact O-N 3.41Å; D361-T363 VanDerWaalsContact O-N 3.08Å; D361-T363 WeakPolarHBondContact OD1-CB 3.26Å; D361-T363 PolarHBondContact OD1-N 3.11Å; D361-T363 PolarHBondContact OD1-OG1 3.3Å; D361-G364 PolarHBondContact O-N 3.5Å; D361-L365 WeakPolarHBondContact O-CB 3.3Å; D361-L365 PolarHBondContact O-N 3.48Å
362F92.2Very high90.2Very high105 Ų10565 Ų6546%0.46135%0.345SS..Hα-helixtrans-58.1-24.2-176.3-62.6-73.8000112.7D306 L365 A366D306-F362 HydrophobicContact CB-CE2 4.45Å; F362-L365 HydrophobicContact CD1-CD2 4.06Å; F362-L365 HydrophobicContact CE1-CD2 4.49Å; F362-A366 WeakPolarHBondContact O-CB 3.2Å; F362-A366 PolarHBondContact O-N 3.08Å
363T91Very high87.6Confident100 Ų10061.2 Ų61.261%0.61333%0.334SS*.Hα-helixtrans-68.5-46.7-178.2-30.80000112.4D361 Q367D361-T363 PolarHBondContact O-N 3.41Å; D361-T363 VanDerWaalsContact O-N 3.08Å; D361-T363 WeakPolarHBondContact OD1-CB 3.26Å; D361-T363 PolarHBondContact OD1-N 3.11Å; D361-T363 PolarHBondContact OD1-OG1 3.3Å; T363-Q367 PolarHBondContact O-NE2 3.25Å
364G91.2Very high84.8Confident2 Ų261.2 Ų61.22%0.02132%0.32CS..Hα-helixtrans-88.9-23.5175.200000112.9N346 D361 Q367 A368N346-G364 CarbonylContact O-C 3.54Å; N346-G364 WeakPolarHBondContact O-CA 3.44Å; N346-G364 PolarHBondContact O-N 2.7Å; D361-G364 PolarHBondContact O-N 3.5Å; G364-Q367 PolarHBondContact O-N 3.15Å; G364-A368 WeakPolarHBondContact O-CB 3.29Å; G364-A368 PolarHBondContact O-N 2.72Å
365L91.8Very high82Confident11 Ų1163.1 Ų63.16%0.05834%0.339CS..Hα-helixtrans-58.9-46.1169.5-17766000111.5W284 L288 I347 F360 D361 F362 Q367 A368 M369W284-L365 HydrophobicContact CD2-CD1 3.97Å; W284-L365 HydrophobicContact CE3-CD1 3.35Å; W284-L365 HydrophobicContact CZ3-CD1 3.7Å; L288-L365 HydrophobicContact CD1-CD1 4.14Å; L288-L365 HydrophobicContact CD1-CD2 4.13Å; I347-L365 HydrophobicContact CG2-CD1 4.15Å; F360-L365 HydrophobicContact CD1-CD1 4.24Å; F360-L365 HydrophobicContact CD1-CD2 4.3Å; D361-L365 WeakPolarHBondContact O-CB 3.3Å; D361-L365 PolarHBondContact O-N 3.48Å; F362-L365 HydrophobicContact CD1-CD2 4.06Å; F362-L365 HydrophobicContact CE1-CD2 4.49Å; L365-Q367 VanDerWaalsContact C-N 3.35Å; L365-Q367 PolarHBondContact O-N 2.72Å; L365-A368 PolarHBondContact O-N 3.21Å; L365-M369 WeakPolarHBondContact O-CG 3.45Å; L365-M369 PolarHBondContact O-N 2.69Å
366A90.8Very high79.2Confident38 Ų3860.3 Ų60.331%0.31434%0.343SS..Hα-helixtrans-57.8-46.517500000111.7F362 A368 M369 H370F362-A366 WeakPolarHBondContact O-CB 3.2Å; F362-A366 PolarHBondContact O-N 3.08Å; A366-A368 VanDerWaalsContact C-N 3.32Å; A366-A368 PolarHBondContact O-N 3.28Å; A366-M369 WeakPolarHBondContact O-CB 3.42Å; A366-M369 PolarHBondContact O-N 3.32Å; A366-M369 VanDerWaalsContact O-N 3.15Å; A366-H370 PolarHBondContact O-CD2 2.78Å; A366-H370 PolarHBondContact O-N 2.77Å; A366-H370 PolarHBondContact O-NE2 3.42Å
367Q89.8Confident76.3Confident122 Ų12262.4 Ų62.457%0.5737%0.367SS*.Hα-helixtrans-58.7-43.1175.9-65.917166.800111.8T363 G364 L365 M369 H370 S371T363-Q367 PolarHBondContact O-NE2 3.25Å; G364-Q367 PolarHBondContact O-N 3.15Å; L365-Q367 VanDerWaalsContact C-N 3.35Å; L365-Q367 PolarHBondContact O-N 2.72Å; Q367-M369 PolarHBondContact O-N 3.29Å; Q367-H370 PolarHBondContact O-N 3.03Å; Q367-S371 PolarHBondContact O-N 2.83Å; Q367-S371 VanDerWaalsContact O-N 3.11Å; Q367-S371 PolarHBondContact O-OG 3.49Å
368A87.7Confident73.6Confident11 Ų1167.6 Ų67.69%0.09140%0.404CS..Hα-helixtrans-67.2-31.1177.100000113.7W284 I347 G364 L365 A366 S371 S372W284-A368 HydrophobicContact CZ2-CB 4.15Å; I347-A368 HydrophobicContact CD1-CB 3.55Å; I347-A368 HydrophobicContact CG1-CB 3.76Å; G364-A368 WeakPolarHBondContact O-CB 3.29Å; G364-A368 PolarHBondContact O-N 2.72Å; L365-A368 PolarHBondContact O-N 3.21Å; A366-A368 VanDerWaalsContact C-N 3.32Å; A366-A368 PolarHBondContact O-N 3.28Å; A368-S371 PolarHBondContact O-N 3.28Å; A368-S372 PolarHBondContact O-N 2.78Å; A368-S372 VanDerWaalsContact O-N 3.08Å
369M86.1Confident70.6Confident36 Ų3672.6 Ų72.618%0.17744%0.439CS..Hα-helixtrans-60.3-46.5171.3-68.8164.169.800110.5F239 W284 L365 A366 Q367 S371 S372F239-M369 HydrophobicContact CD1-CE 3.83Å; F239-M369 HydrophobicContact CE1-CE 4.17Å; W284-M369 HydrophobicContact CH2-CB 4.27Å; W284-M369 HydrophobicContact CH2-CG 3.54Å; W284-M369 HydrophobicContact CZ3-CG 3.9Å; L365-M369 WeakPolarHBondContact O-CG 3.45Å; L365-M369 PolarHBondContact O-N 2.69Å; A366-M369 WeakPolarHBondContact O-CB 3.42Å; A366-M369 PolarHBondContact O-N 3.32Å; A366-M369 VanDerWaalsContact O-N 3.15Å; Q367-M369 PolarHBondContact O-N 3.29Å; M369-S371 PolarHBondContact O-N 3.45Å; M369-S372 WeakPolarHBondContact O-CB 3.38Å; M369-S372 PolarHBondContact O-N 2.99Å; M369-S372 VanDerWaalsContact O-N 3.07Å; M369-S372 PolarHBondContact O-OG 3.47Å
370H78.3Confident67.5Low75 Ų7571.1 Ų71.135%0.34746%0.457SS..Hα-helixtrans-64.4-41.1177.7-52-43.8000112.1A366 Q367 S372 C373 W429A366-H370 PolarHBondContact O-CD2 2.78Å; A366-H370 PolarHBondContact O-N 2.77Å; A366-H370 PolarHBondContact O-NE2 3.42Å; Q367-H370 PolarHBondContact O-N 3.03Å; H370-S372 PolarHBondContact O-N 3.26Å; H370-C373 PolarHBondContact O-N 3.25Å; H370-C373 VanDerWaalsContact O-N 3.15Å; H370-W429 AromaticContact CD2-CZ2 3.74Å; H370-W429 AromaticContact CE1-CH2 3.68Å; H370-W429 AromaticContact CE1-CZ2 3.46Å; H370-W429 VanDerWaalsContact CE1-CZ2 3.46Å; H370-W429 WeakPolarHBondContact CE1-CZ2 3.48Å; H370-W429 AromaticContact NE2-CH2 3.59Å; H370-W429 AromaticContact NE2-CZ2 3.24Å; H370-W429 WeakPolarHBondContact NE2-CZ2 3.41Å
371S70.9Confident64.7Low97 Ų9779.4 Ų79.468%0.67850%0.5SS*.Hα-helixtrans-64.7-17173.1-54.30000114.3Q367 A368 M369Q367-S371 PolarHBondContact O-N 2.83Å; Q367-S371 VanDerWaalsContact O-N 3.11Å; Q367-S371 PolarHBondContact O-OG 3.49Å; A368-S371 PolarHBondContact O-N 3.28Å; M369-S371 PolarHBondContact O-N 3.45Å
372S62.1Low62.1Low46 Ų4685 Ų8532%0.32253%0.529SS..THydrogen-bonded Turntrans-84.9-9.117676.30000114Q285 A368 M369 H370Q285-S372 PolarHBondContact NE2-OG 3.4Å; A368-S372 PolarHBondContact O-N 2.78Å; A368-S372 VanDerWaalsContact O-N 3.08Å; M369-S372 WeakPolarHBondContact O-CB 3.38Å; M369-S372 PolarHBondContact O-N 2.99Å; M369-S372 VanDerWaalsContact O-N 3.07Å; M369-S372 PolarHBondContact O-OG 3.47Å; H370-S372 PolarHBondContact O-N 3.26Å
373C39.8Very low59.2Low74 Ų7486.5 Ų86.550%0.555%0.547SS..  trans-10457176-162.80000111.7H370 P375H370-C373 PolarHBondContact O-N 3.25Å; H370-C373 VanDerWaalsContact O-N 3.15Å; C373-P375 WeakPolarHBondContact O-CD 3.23Å
374S35.6Very low56.6Low92 Ų9287.2 Ų87.264%0.64356%0.556SS**  trans-76.1114.4158.8570000108.2T376S374-T376 PolarHBondContact O-N 3.17Å
375P37.5Very low54.4Low111 Ų11192 Ų9272%0.72159%0.589SS**  trans-59134.3169.226.3-33.3000108.2C373 S377C373-P375 WeakPolarHBondContact O-CD 3.23Å; P375-S377 PolarHBondContact O-N 3.42Å; P375-S377 VanDerWaalsContact O-N 3.15Å
376T36.6Very low52Low122 Ų12297.4 Ų97.475%0.74863%0.625SS**  trans-60.2120.1178.942.20000109.5S374 S378S374-T376 PolarHBondContact O-N 3.17Å; T376-S378 PolarHBondContact O-N 3Å
377S36.5Very low49.9Very low112 Ų112101.8 Ų101.878%0.78365%0.648SS**  trans-66.576.1178.1-50.70000111.7P375 S379P375-S377 PolarHBondContact O-N 3.42Å; P375-S377 VanDerWaalsContact O-N 3.15Å; S377-S379 PolarHBondContact O-N 3.37Å
378S40.8Very low47.8Very low110 Ų110101.8 Ų101.877%0.76966%0.661SS**  trans-73.272166.157.30000108.9T376T376-S378 PolarHBondContact O-N 3Å
379S35.5Very low45.5Very low110 Ų110104 Ų10477%0.76969%0.686SS**  trans-57.2134.5174.3-58.80000110.5S377S377-S379 PolarHBondContact O-N 3.37Å
380G32.3Very low43.4Very low74 Ų74108.3 Ų108.376%0.76371%0.714SS**  trans86.274.2165.600000116.2
381L37Very low41.8Very low177 Ų177112.4 Ų112.493%0.92774%0.738SS**  trans-139.7116.6138.6-115.2168.9000108.3
382L40.5Very low40.3Very low159 Ų159113.7 Ų113.783%0.83274%0.743SS**  trans-77.1151.5-170.9-73.5170.6000112S384L382-S384 PolarHBondContact O-N 3.38Å
383T32.1Very low39.1Very low138 Ų138114.5 Ų114.585%0.84776%0.759SS**  trans-65.1115.4176.550.80000111.7
384S36.4Very low39.1Very low115 Ų115119.7 Ų119.780%0.80478%0.775SS**  trans-116.399.9164.947.70000110.2L382L382-S384 PolarHBondContact O-N 3.38Å
385S43.7Very low39.3Very low102 Ų102120.5 Ų120.571%0.71378%0.781SS**  trans-69.1134.5177.8-55.80000111.2V387S385-V387 PolarHBondContact O-N 3.11Å
386P41.8Very low39.4Very low125 Ų125119 Ų11981%0.81279%0.785SS**  trans-77.491.8174.831.1-33.5000110.8
387V46.9Very low39.3Very low130 Ų130120.3 Ų120.379%0.78879%0.788SS**  trans-82121.9164.8172.50000108.9S385S385-V387 PolarHBondContact O-N 3.11Å
388S44.9Very low39.2Very low121 Ų121119.8 Ų119.885%0.84678%0.784SS**  trans-101.4119.2178.5-670000111.4
389G40.1Very low39Very low59 Ų59121.1 Ų121.161%0.60879%0.788SS**  trans91.9146.9172.700000115.2
390T41.2Very low38.6Very low125 Ų125121.4 Ų121.477%0.76779%0.789SS**  cis-156.4115-1.9-67.80000112.1
391L45.3Very low38.8Very low162 Ų162125.8 Ų125.885%0.84879%0.794SS**  trans67.4162.2154.4-72.3170.9000119.1
392P40.5Very low38.6Very low123 Ų123122 Ų12280%0.79978%0.783SS**  trans-133179.1-131.546.3-33.8000117.3
393G36.1Very low38.2Very low63 Ų63120.9 Ų120.965%0.64978%0.777SS**  trans-179.4134.3157.500000115
394H40.2Very low38.1Very low183 Ų183121 Ų12185%0.84777%0.768SS**  trans49105.7165.5-69.577.7000118.3
395S39.2Very low38.1Very low110 Ų110124.5 Ų124.577%0.76977%0.769SS**  72.8115.867.376.50000115
396G39Very low37.4Very low78 Ų78129.6 Ų129.680%0.80477%0.774SS**  trans169.640-179.900000118.9
397N35.6Very low37Very low151 Ų151129.1 Ų129.181%0.80777%0.774SS**  trans15.3116162.1-65.83.6000121.9
398S34.5Very low36.3Very low100 Ų100130 Ų13070%0.69977%0.774SS**  88.5137.8119.1-60.30000123.8
399T36.3Very low36Very low138 Ų138133.2 Ų133.285%0.84778%0.775SS**  trans73113.1146.142.70000121.1
400C27.5Very low35.5Very low117 Ų117134.6 Ų134.679%0.79178%0.775SS**  trans-70.4155.7165.652.70000114.5
401L35.2Very low35Very low166 Ų166135.4 Ų135.487%0.86977%0.774SS**  trans-144.6134.5158-86.3-178.5000113.3
402S34.5Very low34.7Very low98 Ų98133.8 Ų133.869%0.68578%0.776SS**  trans33.7113.4148.759.20000122.7
403N30.7Very low34.3Very low134 Ų134135.7 Ų135.772%0.71778%0.78SS**  45.4145.2108-89.135.6000124
404E31.3Very low34.6Very low142 Ų142140.8 Ų140.866%0.66479%0.791SS**  trans70141.6157.2-65.3154.1-129.600115.6
405F34.9Very low34.2Very low187 Ų187138.7 Ų138.782%0.8279%0.786SS**  cis-146.2171.541.5-102.6-87.8000115.6
406Y30.5Very low34.1Very low210 Ų210141.9 Ų141.982%0.82479%0.789SS**  trans-60.3145166.7-92.2-115.2000113.7
407S33.4Very low33.8Very low114 Ų114148 Ų14880%0.79779%0.794SS**  177.8157.2109.3-79.60000113.8
408N31.2Very low33.5Very low148 Ų148144.8 Ų144.879%0.79180%0.796SS**  trans-85.4150.3178-44.4-81.6000111.9
409H38.6Very low33.3Very low190 Ų190143.5 Ų143.588%0.8880%0.798SS**  trans-152.3158.4133.3-123.6-77.5000111.1
410C30.5Very low33.1Very low88 Ų88146.4 Ų146.460%0.59580%0.803SS**  trans-115.6171.2-166.754.20000114.1
411D30.4Very low33.4Very low142 Ų142147.4 Ų147.476%0.75981%0.805SS**  trans68.6109.2158.8-49.9-39.9000119.9
412S39.1Very low33.5Very low127 Ų127144.6 Ų144.689%0.88880%0.8SS**  trans-166128.7130.7-77.50000110.2
413D32.1Very low33.6Very low163 Ų163146.8 Ų146.887%0.87280%0.803SS**  trans-70.6144.9175-67.5-70.2000112.6
414L41.7Very low34Very low170 Ų170150.5 Ų150.589%0.8981%0.813SS**  trans-167.4140.5147.2-112.1160.7000112.3
415D33.2Very low34.3Very low139 Ų139147.8 Ų147.874%0.74381%0.81SS**  trans-65131.8178.6-68.1-81.7000113.7
416Q36.8Very low34.5Very low178 Ų178150.5 Ų150.583%0.83282%0.815SS**  -179.3118.7115-97.9155.498.200116
417K31.9Very low35.3Very low206 Ų206146.3 Ų146.390%0.89681%0.805SS**  51.990120.7-166.2-174.5-177-179.50119.1
418G29.7Very low35.8Very low83 Ų83143.3 Ų143.386%0.85678%0.784SS**  trans158.5142.9148.600000116.6
419G30.6Very low36.3Very low73 Ų73143.2 Ų143.275%0.75377%0.773SS**  trans104.758.3157.100000118.9T421G419-T421 PolarHBondContact O-N 3.33Å; G419-T421 VanDerWaalsContact O-N 3.08Å
420E31.9Very low36.7Very low200 Ų200141.6 Ų141.694%0.93576%0.763SS**  trans-71.595.4163.7-73.6-166.5129.800111.8
421T33.9Very low38Very low138 Ų138142.5 Ų142.585%0.84776%0.762SS**  trans-99.380.1165.652.10000110.3G419G419-T421 PolarHBondContact O-N 3.33Å; G419-T421 VanDerWaalsContact O-N 3.08Å
422S37.7Very low39.4Very low107 Ų107139.3 Ų139.375%0.74875%0.745SS**  trans-71.3132.7-177.8-166.50000112.8K424S422-K424 PolarHBondContact O-N 3.11Å
423D36Very low40.2Very low143 Ų143139.1 Ų139.177%0.76573%0.73SS**  trans-63.3100.6-176.3-92.8-57000113.8S425D423-S425 PolarHBondContact O-N 3.32Å
424K38.6Very low41.7Very low212 Ų212136.3 Ų136.392%0.92272%0.718SS**THydrogen-bonded Turntrans-79.256.6176.1-64.4-177.9-178.7175.50112.6S422S422-K424 PolarHBondContact O-N 3.11Å
425S38.5Very low42.4Very low85 Ų85131.1 Ų131.159%0.59470%0.699SS**THydrogen-bonded Turntrans-128-10.9-174.861.40000115.9D423 I427D423-S425 PolarHBondContact O-N 3.32Å; S425-I427 PolarHBondContact O-N 2.77Å
426R37.5Very low43.5Very low245 Ų245127.3 Ų127.393%0.92569%0.688SS**  trans-96.989177.3-94.1-177.7164170.3-3.1113.1S428R426-S428 PolarHBondContact O-N 3.03Å
427I48Very low44.5Very low121 Ų121121.8 Ų121.862%0.62167%0.672SS**  trans-64.3121.8163.4-75.664.5000108.2S425 I432S425-I427 PolarHBondContact O-N 2.77Å; I427-I432 HydrophobicContact CG2-CD1 3.92Å; I427-I432 HydrophobicContact CG2-CG1 3.65Å
428S43.3Very low45.9Very low52 Ų52114.5 Ų114.536%0.36465%0.65SS.*  trans-74.1138.7175.2175.20000111R426 K430 N431 I432R426-S428 PolarHBondContact O-N 3.03Å; S428-K430 PolarHBondContact O-N 2.85Å; S428-K430 VanDerWaalsContact O-N 3.13Å; S428-K430 PolarHBondContact OG-N 3.13Å; S428-N431 WeakPolarHBondContact O-CB 3.46Å; S428-N431 PolarHBondContact O-N 3.4Å; S428-I432 PolarHBondContact O-N 2.85Å
429W41.5Very low47.4Very low146 Ų146113.1 Ų113.155%0.55363%0.631SS**Hα-helixtrans-54.5-30.9173.1-99.492.3000113.5H370 N431 I432 Q433H370-W429 AromaticContact CD2-CZ2 3.74Å; H370-W429 AromaticContact CE1-CH2 3.68Å; H370-W429 AromaticContact CE1-CZ2 3.46Å; H370-W429 VanDerWaalsContact CE1-CZ2 3.46Å; H370-W429 WeakPolarHBondContact CE1-CZ2 3.48Å; H370-W429 AromaticContact NE2-CH2 3.59Å; H370-W429 AromaticContact NE2-CZ2 3.24Å; H370-W429 WeakPolarHBondContact NE2-CZ2 3.41Å; W429-N431 VanDerWaalsContact C-N 3.27Å; W429-N431 PolarHBondContact O-N 3.02Å; W429-I432 PolarHBondContact O-N 3.4Å; W429-Q433 HydrophobicContact CE3-CG 4.5Å; W429-Q433 WeakPolarHBondContact O-CG 3.24Å; W429-Q433 PolarHBondContact O-N 3.43Å
430K47.5Very low48.8Very low156 Ų156112.4 Ų112.468%0.67862%0.618SS**Hα-helixtrans-62.1-36.2175-59.9-175.2179.3-1770111.7S428 Q433 V434S428-K430 PolarHBondContact O-N 2.85Å; S428-K430 VanDerWaalsContact O-N 3.13Å; S428-K430 PolarHBondContact OG-N 3.13Å; K430-Q433 PolarHBondContact O-N 2.72Å; K430-V434 WeakPolarHBondContact O-CB 3.5Å; K430-V434 VanDerWaalsContact O-CG2 3.3Å; K430-V434 WeakPolarHBondContact O-CG2 3.46Å; K430-V434 PolarHBondContact O-N 2.84Å
431N57.5Low49.9Very low106 Ų106105.4 Ų105.457%0.56759%0.594SS**Hα-helixtrans-72.9-35.6178.8-59.222.3000110.9S428 W429 V434 A435S428-N431 WeakPolarHBondContact O-CB 3.46Å; S428-N431 PolarHBondContact O-N 3.4Å; W429-N431 VanDerWaalsContact C-N 3.27Å; W429-N431 PolarHBondContact O-N 3.02Å; N431-V434 PolarHBondContact O-N 3.06Å; N431-A435 WeakPolarHBondContact O-CB 3.27Å; N431-A435 PolarHBondContact O-N 3.21Å
432I61.1Low50.9Low76 Ų76102.6 Ų102.639%0.3958%0.577SS.*Hα-helixtrans-64.9-44.3173.9-58.4177.1000110.3I427 S428 W429 A435 A436I427-I432 HydrophobicContact CG2-CD1 3.92Å; I427-I432 HydrophobicContact CG2-CG1 3.65Å; S428-I432 PolarHBondContact O-N 2.85Å; W429-I432 PolarHBondContact O-N 3.4Å; I432-A435 PolarHBondContact O-N 3.15Å; I432-A436 WeakPolarHBondContact O-CB 3.36Å; I432-A436 PolarHBondContact O-N 3.44Å
433Q54.4Low51.2Low123 Ų123102 Ų10258%0.57557%0.572SS**Hα-helixtrans-63.8-42176.7-71.6174.8-4500112.3W429 K430 A436 A437W429-Q433 HydrophobicContact CE3-CG 4.5Å; W429-Q433 WeakPolarHBondContact O-CG 3.24Å; W429-Q433 PolarHBondContact O-N 3.43Å; K430-Q433 PolarHBondContact O-N 2.72Å; Q433-A436 PolarHBondContact O-N 2.9Å; Q433-A437 WeakPolarHBondContact O-CB 3.43Å; Q433-A437 PolarHBondContact O-N 3.46Å
434V64Low51.7Low104 Ų104105.4 Ų105.463%0.6358%0.575SS**Hα-helixtrans-64.4-42.3174.4168.80000111.6K430 N431 A437 A438K430-V434 WeakPolarHBondContact O-CB 3.5Å; K430-V434 VanDerWaalsContact O-CG2 3.3Å; K430-V434 WeakPolarHBondContact O-CG2 3.46Å; K430-V434 PolarHBondContact O-N 2.84Å; N431-V434 PolarHBondContact O-N 3.06Å; V434-A437 PolarHBondContact O-N 2.89Å; V434-A438 WeakPolarHBondContact O-CB 3.16Å; V434-A438 PolarHBondContact O-N 3.35Å
435A56.4Low52.4Low60 Ų60102.5 Ų102.550%0.49657%0.569SS.*Hα-helixtrans-64.3-42176.500000112.4N431 I432 A438 A439N431-A435 WeakPolarHBondContact O-CB 3.27Å; N431-A435 PolarHBondContact O-N 3.21Å; I432-A435 PolarHBondContact O-N 3.15Å; A435-A438 PolarHBondContact O-N 2.94Å; A435-A439 WeakPolarHBondContact O-CB 3.29Å; A435-A439 PolarHBondContact O-N 3.07Å
436A56.9Low52.8Low60 Ų60104.5 Ų104.550%0.49657%0.573SS.*Hα-helixtrans-64.8-41175.900000112.3I432 Q433 A439 A440I432-A436 WeakPolarHBondContact O-CB 3.36Å; I432-A436 PolarHBondContact O-N 3.44Å; Q433-A436 PolarHBondContact O-N 2.9Å; A436-A439 PolarHBondContact O-N 3.15Å; A436-A440 WeakPolarHBondContact O-CB 3.24Å; A436-A440 PolarHBondContact O-N 3.26Å
437A58.3Low52.8Low61 Ų6198.4 Ų98.450%0.50457%0.567SS.*Hα-helixtrans-65.9-42174.900000112.1Q433 V434 A440 A441Q433-A437 WeakPolarHBondContact O-CB 3.43Å; Q433-A437 PolarHBondContact O-N 3.46Å; V434-A437 PolarHBondContact O-N 2.89Å; A437-A440 PolarHBondContact O-N 3.33Å; A437-A441 WeakPolarHBondContact O-CB 3.49Å; A437-A441 PolarHBondContact O-N 3.34Å
438A61.6Low52.3Low53 Ų5397.9 Ų97.944%0.43857%0.572SS.*Hα-helixtrans-64.4-40.7175.700000112.1V434 A435 A441 T442V434-A438 WeakPolarHBondContact O-CB 3.16Å; V434-A438 PolarHBondContact O-N 3.35Å; A435-A438 PolarHBondContact O-N 2.94Å; A438-A441 PolarHBondContact O-N 3.27Å; A438-T442 WeakPolarHBondContact O-CB 3.35Å; A438-T442 PolarHBondContact O-N 3.2Å; A438-T442 PolarHBondContact O-OG1 2.92Å
439A61Low51.9Low55 Ų55103.1 Ų103.146%0.45560%0.595SS.*Hα-helixtrans-61.5-47.5173.100000112A435 A436 A441 T442 C443A435-A439 WeakPolarHBondContact O-CB 3.29Å; A435-A439 PolarHBondContact O-N 3.07Å; A436-A439 PolarHBondContact O-N 3.15Å; A439-A441 PolarHBondContact O-N 2.81Å; A439-T442 PolarHBondContact O-N 3.09Å; A439-C443 PolarHBondContact O-N 3.12Å; A439-C443 PolarHBondContact O-SG 2.73Å; A439-C443 VanDerWaalsContact O-SG 3.33Å
440A58.4Low51.9Low58 Ų58105.7 Ų105.748%0.47961%0.61SS.*Hα-helixtrans-60.6-43.317700000112.6A436 A437 T442 C443 Y444A436-A440 WeakPolarHBondContact O-CB 3.24Å; A436-A440 PolarHBondContact O-N 3.26Å; A437-A440 PolarHBondContact O-N 3.33Å; A440-T442 VanDerWaalsContact C-N 3.34Å; A440-T442 PolarHBondContact O-N 2.99Å; A440-C443 PolarHBondContact O-N 3.26Å; A440-Y444 PolarHBondContact O-N 2.74Å; A440-Y444 VanDerWaalsContact O-N 3.16Å
441A55.1Low51.1Low52 Ų52106.8 Ų106.843%0.4362%0.618SS.*Hα-helixtrans-63.9-37.7174.700000112.4A437 A438 A439 Y444 L445A437-A441 WeakPolarHBondContact O-CB 3.49Å; A437-A441 PolarHBondContact O-N 3.34Å; A438-A441 PolarHBondContact O-N 3.27Å; A439-A441 PolarHBondContact O-N 2.81Å; A441-Y444 PolarHBondContact O-N 3.15Å; A441-L445 WeakPolarHBondContact O-CG 3.36Å; A441-L445 PolarHBondContact O-N 3.08Å
442T56.2Low50Low79 Ų79109.1 Ų109.149%0.48563%0.629SS.*Hα-helixtrans-68.4-41177.7-55.60000110.9A438 A439 A440 Y444 L445 N446A438-T442 WeakPolarHBondContact O-CB 3.35Å; A438-T442 PolarHBondContact O-N 3.2Å; A438-T442 PolarHBondContact O-OG1 2.92Å; A439-T442 PolarHBondContact O-N 3.09Å; A440-T442 VanDerWaalsContact C-N 3.34Å; A440-T442 PolarHBondContact O-N 2.99Å; T442-Y444 PolarHBondContact O-N 2.75Å; T442-L445 PolarHBondContact O-N 2.89Å; T442-N446 WeakPolarHBondContact O-CB 3.43Å; T442-N446 PolarHBondContact O-N 3.12Å
443C43.7Very low48.3Very low96 Ų96110.3 Ų110.365%0.64965%0.645SS**Hα-helixtrans-61.7-31.2173.2-68.90000112.9A439 A440 L445A439-C443 PolarHBondContact O-N 3.12Å; A439-C443 PolarHBondContact O-SG 2.73Å; A439-C443 VanDerWaalsContact O-SG 3.33Å; A440-C443 PolarHBondContact O-N 3.26Å; C443-L445 VanDerWaalsContact C-N 3.35Å
444Y47.3Very low47.3Very low213 Ų213109.6 Ų109.684%0.83565%0.648SS**Hα-helixtrans-77.2-15177.1-110.4-86.5000114.8A440 A441 T442A440-Y444 PolarHBondContact O-N 2.74Å; A440-Y444 VanDerWaalsContact O-N 3.16Å; A441-Y444 PolarHBondContact O-N 3.15Å; T442-Y444 PolarHBondContact O-N 2.75Å
445L52.6Low45.5Very low152 Ų152109.9 Ų109.980%0.79666%0.655SS**Hα-helixtrans-111.61.4-175.8-68.1173000114A441 T442 C443A441-L445 WeakPolarHBondContact O-CG 3.36Å; A441-L445 PolarHBondContact O-N 3.08Å; T442-L445 PolarHBondContact O-N 2.89Å; C443-L445 VanDerWaalsContact C-N 3.35Å
446N46.7Very low44.3Very low126 Ų126115.5 Ų115.567%0.67467%0.669SS**SBendtrans-12929.4-169.4-128.5-10.9000114T442T442-N446 WeakPolarHBondContact O-CB 3.43Å; T442-N446 PolarHBondContact O-N 3.12Å
447C36.9Very low43Very low118 Ų118116.4 Ų116.480%0.79767%0.672SS**  trans-138.491.2175.6-920000112.6
448P38.4Very low41.7Very low110 Ų110120.9 Ų120.971%0.71469%0.687SS**  trans-79.1134.816731.6-32.8000112.2
449D33.9Very low40.3Very low161 Ų161124.9 Ų124.986%0.86170%0.7SS**  trans32.288.5156.1-63-47.6000119.8
450K41Very low38.9Very low200 Ų200130 Ų13087%0.8772%0.719SS**  trans-138.975.2155.2-68.9-163.5178.4-179.20114.7L452K450-L452 PolarHBondContact O-N 3.3Å
451H32.7Very low37.5Very low179 Ų179134.6 Ų134.683%0.82974%0.736SS**  trans30.884.3140.6-144.1-85.2000117.9S453H451-S453 PolarHBondContact O-N 3.05Å
452L32.8Very low36.4Very low156 Ų156140.2 Ų140.282%0.81776%0.758SS**  trans-92.792.8169.5-108.2166.1000110.7K450 T454K450-L452 PolarHBondContact O-N 3.3Å; L452-T454 HydrophobicContact CD2-CG2 4.33Å; L452-T454 PolarHBondContact O-N 2.89Å
453S26.8Very low35.2Very low101 Ų101142.5 Ų142.571%0.70677%0.772SS**  trans-82.988.7174.855.70000111.2H451H451-S453 PolarHBondContact O-N 3.05Å
454T32.5Very low34.6Very low107 Ų107142.7 Ų142.766%0.65677%0.774SS**  trans-116.8127.7168.549.30000110.2L452 F456L452-T454 HydrophobicContact CD2-CG2 4.33Å; L452-T454 PolarHBondContact O-N 2.89Å; T454-F456 PolarHBondContact O-N 3.27Å
455S26.7Very low33.6Very low111 Ų111138.2 Ų138.278%0.77677%0.773SS**  trans-58.2122.7-177-170.80000112.2
456F31.2Very low32.4Very low178 Ų178135.6 Ų135.678%0.78177%0.767SS**  trans-134.268.1166.8-126.3-77.9000108.8T454 I459T454-F456 PolarHBondContact O-N 3.27Å; F456-I459 HydrophobicContact CD1-CD1 4.5Å; F456-I459 HydrophobicContact CE1-CD1 4.46Å
457S30.1Very low31.5Very low79 Ų79137.7 Ų137.755%0.55278%0.778SS**  trans-67.1169.1155.451.30000109.7
458D29.2Very low31.1Very low155 Ų155140.5 Ų140.583%0.82978%0.776SS**  trans74.638.3173.1-45.5-14.2000116
459I33Very low30.7Very low137 Ų137139.5 Ų139.570%0.70377%0.772SS**  trans-123.974.3146.4-51.1179.8000108.5F456F456-I459 HydrophobicContact CD1-CD1 4.5Å; F456-I459 HydrophobicContact CE1-CD1 4.46Å
460N32.3Very low30.6Very low161 Ų161139.3 Ų139.386%0.86177%0.77SS**  trans-162.839.5170.6-106.3-24000113.4
461D28.8Very low30.2Very low156 Ų156137.2 Ų137.283%0.83476%0.764SS**  trans-150.191.5167.3-112.5-31000111.7
462L31.5Very low30.4Very low169 Ų169137.9 Ų137.989%0.88576%0.764SS**  trans-173.162.3157.4-107164.6000109.2
463T30.3Very low30.2Very low127 Ų127138.1 Ų138.178%0.77977%0.766SS**  trans-97.7150.2161.962.70000109.1
464S31.3Very low30.5Very low100 Ų100142.1 Ų142.170%0.69977%0.771SS**  trans67.3139.1-155.385.20000112.8
465C26.8Very low30.5Very low120 Ų120143.8 Ų143.881%0.81177%0.774SS**  cis-124.1137.78.6-77.40000113.6
466S27.4Very low30.7Very low97 Ų97142.9 Ų142.968%0.67877%0.768SS**  trans28.5116.9147.1-161.40000120.4
467L27.7Very low30.8Very low170 Ų170140.9 Ų140.989%0.8977%0.765SS**  -149.2148.999.3-114.1171.2000112.6
468F29.4Very low30.9Very low176 Ų176144.8 Ų144.877%0.77278%0.78SS**  trans-84134.1-169.1-101.2-119.9000113.1
469S29.6Very low31Very low90 Ų90140.8 Ų140.863%0.62978%0.775SS**  58.1163.2122.6-50.30000120.6
470L31.2Very low30.9Very low156 Ų156144 Ų14482%0.81779%0.785SS**  cis-144.9157.31.5-159.764.8000110.7
471Q33.6Very low31.1Very low157 Ų157140.1 Ų140.173%0.73478%0.775SS**  trans-67.6146.3163.5-53.2163.4-58.900111.3
472K35.6Very low31.3Very low193 Ų193141.8 Ų141.884%0.83978%0.775SS**  177.6147.5105.1-97.9163.5-176.41710114.1
473N29.4Very low31.3Very low161 Ų161140.2 Ų140.286%0.86177%0.767SS**  trans-60.7141.7163.1-73-50.1000111.6
474K33.6Very low31.6Very low185 Ų185140 Ų14080%0.80477%0.766SS**  -173.3127.8122-104.8-175.9174.4-175.60114
475I31.3Very low31.8Very low141 Ų141141 Ų14172%0.72377%0.77SS**  trans55.3102.7131.9-58.7170.8000118.5
476S31.4Very low32.1Very low93 Ų93146.6 Ų146.665%0.6578%0.775SS**  70141.4126.4-145.80000122.9
477N33.2Very low32.3Very low135 Ų135149.9 Ų149.972%0.72278%0.78SS**  trans69.2112156.8-64.4-26.7000120.6
478N32.1Very low32.5Very low161 Ų161150 Ų15086%0.86178%0.779SS**  31.4117128-56.8-8.9000119.5
479G32.1Very low32.5Very low71 Ų71146.4 Ų146.473%0.73277%0.772SS**  trans155.9101.9150.200000117.9
480F30.8Very low32.5Very low206 Ų206147.2 Ų147.290%0.90478%0.778SS**  trans32.4121.7142.2-88.3-104.7000122.3
481A35.7Very low32.4Very low78 Ų78148.5 Ų148.565%0.64579%0.785SS**  79.5110.2128.200000122.9
482K33.6Very low32.1Very low191 Ų191145.7 Ų145.783%0.8378%0.783SS**  72.4126.5122.8-71.5-174.3176.6-177.80122
483N31.8Very low32.1Very low137 Ų137141.7 Ų141.773%0.73378%0.779SS**  trans106.8113.9140.6-65.2-4.9000121.1
484T36.8Very low32.2Very low122 Ų122140.2 Ų140.275%0.74877%0.771SS**  trans60.5127.6137.156.40000122.4
485P35.9Very low32.4Very low120 Ų120141.5 Ų141.578%0.77978%0.777SS**  trans-103.3172.6176.341.1-35.6000114.9
486Y32.4Very low32.5Very low238 Ų238140.8 Ų140.893%0.93377%0.774SS**  trans-142165.7169.1-90.1-77.9000113.4
487H30.6Very low32.8Very low166 Ų166143 Ų14377%0.76978%0.779SS**  trans-67.7162.4-174.3-107.1-121.9000116.4
488I33.1Very low33Very low172 Ų172142.8 Ų142.888%0.88278%0.778SS**  -169.7162.1126.4-98156000110.3
489T29.7Very low33Very low102 Ų102141.6 Ų141.663%0.62677%0.771SS**  trans-122.6156.9-158.951.70000116.1
490S28.6Very low33.1Very low107 Ų107146.4 Ų146.475%0.74877%0.772SS**  trans57.7131.214163.10000122.1
491L29.6Very low33.3Very low183 Ų183143.5 Ų143.596%0.95876%0.763SS**  trans-151.4157.5145.4-108.4166.1000109.5
492S26.8Very low33.3Very low98 Ų98145.7 Ų145.769%0.68577%0.768SS**  trans-132.6160.9-173.2-167.30000112.2
493S35.4Very low33.2Very low109 Ų109142.4 Ų142.476%0.76276%0.764SS**  trans-160.3113.2167.159.70000112.3
494D31.5Very low33.7Very low130 Ų130142 Ų14270%0.69577%0.769SS**  trans-86.7159.1175.5-49.2-85.9000112.8
495F37.2Very low33.5Very low211 Ų211141.5 Ų141.593%0.92577%0.766SS**  trans-144.3154.3156.4-96.5-76.3000111.5
496N35.4Very low33.6Very low126 Ų126142.4 Ų142.467%0.67477%0.77SS**  trans-117.9179.4-153.7-69.7-74.4000114.9
497N36.9Very low33.9Very low140 Ų140134.6 Ų134.675%0.74976%0.762SS**  trans82.1136.9163.4-44.2-46.6000114.3
498N36.3Very low34.3Very low130 Ų130133.1 Ų133.170%0.69577%0.77SS**  cis-160162.30.3-106.8-9.1000107.9
499L33.3Very low34.5Very low136 Ų136128.7 Ų128.771%0.71277%0.767SS**  cis-142.9-140.84.8-150.815.9000106.9
500F34.8Very low34.8Very low173 Ų173134.2 Ų134.276%0.75978%0.776SS**  cis-150.9179.21.3-154.1-91.7000110.3
501M34.9Very low35.4Very low145 Ų145136.3 Ų136.371%0.71477%0.774SS**  trans-62.9159.8177.8-55.1-64.8-153.800114.9
502T34.9Very low36Very low123 Ų123133.9 Ų133.976%0.75576%0.762SS**  cis-166.8154.4-7.418.70000111.2
503T30.8Very low36.9Very low122 Ų122138.3 Ų138.375%0.74877%0.772SS**  trans-91.3169.7152.756.20000110.7
504P42Very low37.3Very low129 Ų129139.7 Ų139.784%0.83877%0.77SS**  -145.7-170.9104.139.6-24.5000114.6
505T34.3Very low37.9Very low112 Ų112138.6 Ų138.669%0.68777%0.769SS**  trans-123.8178.9-169.4590000112.9
506T38.2Very low38.2Very low138 Ų138133.2 Ų133.285%0.84776%0.757SS**  trans71.2140.2148.141.60000121.2
507G37.7Very low38.5Very low75 Ų75136 Ų13677%0.77376%0.763SS**  trans99107.9168.400000113.3
508S38.5Very low38.9Very low134 Ų134136.3 Ų136.394%0.93776%0.764SS**  cis75.9102.142.6-172.50000114.9
509G37.3Very low39.5Very low79 Ų79135 Ų13581%0.81476%0.763SS**  trans156.2104.3165.500000115.6
510R35.9Very low40.3Very low219 Ų219136.5 Ų136.583%0.82677%0.766SS**  trans-54.2174.5179.1-59.5169178.9175.7-1.9117.3
511H41.8Very low40.9Very low151 Ų151132.3 Ų132.370%0.69976%0.756SS**  trans81.6147.4162.8-56.5-74.8000116.7
512D43.1Very low41.1Very low132 Ų132135.1 Ų135.171%0.70677%0.765SS**  cis-170.4168.9-33.3-100.7-14.2000107.7
513E45.1Very low41.1Very low190 Ų190132 Ų13289%0.88876%0.757SS**  trans63.5159.2167.3-66.3-179.6163.700119.1
514D44.1Very low41.3Very low138 Ų138135.5 Ų135.574%0.73876%0.762SS**  cis-165.1178.1-42.9-161.63.2000110.1
515T44.8Very low40.9Very low107 Ų107136.1 Ų136.166%0.65676%0.758SS**  trans8281.2152.159.40000123.3
516S42.2Very low41.1Very low98 Ų98134.9 Ų134.969%0.68576%0.759SS**  83.8153.9110.181.10000124.4
517K42.9Very low40.8Very low185 Ų185134.8 Ų134.880%0.80475%0.754SS**  trans80.2113.3168.9-55.8177.5-175.4177.10116.3
518L43.5Very low40.7Very low147 Ų147138.3 Ų138.377%0.7775%0.75SS**  cis74.8149.543.7-64.9172.8000114.6
519P49.1Very low40.6Very low102 Ų102139.1 Ų139.166%0.66274%0.739SS**  cis-141.4149.6-328.4-5.2000118.8
520H51Low40.3Very low168 Ų168141.1 Ų141.178%0.77873%0.73SS**  trans60.4175135.8-66.2-41.6000122.3
521P48Very low40.1Very low85 Ų85136.4 Ų136.455%0.55272%0.72SS**  cis-136.3175-30.828.6-7.3000116.7
522F38Very low39.7Very low204 Ų204137.6 Ų137.690%0.89573%0.726SS**  trans70.7135.3160.1-49.9-56.9000119.6
523G34.6Very low39.2Very low58 Ų58136 Ų13660%0.59872%0.722SS**  cis170.9160.4-9.700000114.7
524F35.1Very low38.6Very low195 Ų195133.9 Ų133.986%0.85572%0.715SS**  trans65.7137.5172.8-53.7-76.5000116.8
525N34.5Very low37.9Very low141 Ų141133.6 Ų133.675%0.75471%0.714SS**  cis-162.3148.1-12.1-133.48.2000109.3
526A37.7Very low37.3Very low86 Ų86137.3 Ų137.371%0.71172%0.724SS**  trans49.7117.3159.400000118.5
527D32.3Very low36.7Very low136 Ų136137.7 Ų137.773%0.72772%0.722SS**  cis52.6130.121.2-75.3-33.4000115.1
528H35.9Very low36.3Very low150 Ų150139.3 Ų139.369%0.69472%0.724SS**  cis-144.1165.610.2-111.47.6000107.7
529H35Very low35.7Very low151 Ų151140.5 Ų140.570%0.69972%0.723SS**  53.2147.263.5-88.3-35.1000113.3
530N31.8Very low34.7Very low120 Ų120142.5 Ų142.564%0.64273%0.727SS**  cis-168.4-172.1-14.8-159.6-12.6000106.9
531I31Very low33.8Very low120 Ų120140.8 Ų140.862%0.61573%0.734SS**  trans60116150.1-65.1156.6000116.3
532Q35.1Very low32.9Very low176 Ų176144.7 Ų144.782%0.82275%0.745SS**  -156135.478.1-129.5136.824.400110.4
533T30.7Very low32.6Very low99 Ų99144.3 Ų144.361%0.60775%0.746SS**  53.4128.271.6-8.40000112.1
534L33.9Very low32.4Very low145 Ų145151.7 Ų151.776%0.75976%0.756SS**  cis-145.3154.734.1-85155.4000115.4
535N29.1Very low32.2Very low132 Ų132147.7 Ų147.771%0.70675%0.747SS**  trans-4137.9143.6-44-17000118.4
536E33Very low32Very low185 Ų185149 Ų14986%0.86476%0.755SS**  -170.5133.295-98.9-169.2167.100115
537T29.2Very low31.4Very low107 Ų107149.4 Ų149.466%0.65675%0.752SS**  trans-30145154.8550000118.4
538R32.9Very low31.3Very low219 Ų219148.6 Ų148.683%0.82676%0.757SS**  172142.7102.9-91.1-175.5-175.6155.75.8115.5
539F31Very low31Very low171 Ų171148.2 Ų148.275%0.7576%0.758SS**  trans63.6115.6141.6-81.4-119.8000123.4
540L28Very low30.8Very low145 Ų145148.9 Ų148.976%0.75977%0.767SS**  42.4123.2126.7-54.1-177.6000121.6
541S32.5Very low30.7Very low131 Ų131147.7 Ų147.792%0.91677%0.767SS**  -160.2168.9121.4-84.50000111.5
542Q28.7Very low30.7Very low168 Ų168145.3 Ų145.379%0.78577%0.772SS**  trans-145.6109.2-158.7179.5-171.519.700113.7
543E31.9Very low30.3Very low196 Ų196143.2 Ų143.292%0.91677%0.767SS**  trans-140.3121.8161.4-67.5-174.1131.700107
544R30.9Very low30.3Very low212 Ų212148.6 Ų148.680%0.878%0.778SS**  cis93.8100.719.8-152-179.1-156.6-1717.2114.6
545T30.4Very low30.1Very low111 Ų111147.8 Ų147.868%0.68178%0.779SS**  trans58.7121.7156.750.80000119.8
546N30.7Very low30.4Very low170 Ų170148.6 Ų148.691%0.90978%0.778SS**  -154.6151.5109.8-97-40.2000111
547S25.8Very low30.4Very low93 Ų93147.6 Ų147.665%0.6578%0.778SS**  trans-149.4130.6-168.157.30000113.5
548S30.6Very low30.6Very low120 Ų120150.1 Ų150.184%0.83979%0.786SS**  trans-140.6113.4167.4-53.30000106.6
549I28.9Very low30.6Very low141 Ų141146.3 Ų146.372%0.72378%0.783SS**  62.282.754.5-49.1-178.8000112.2
550L31.2Very low30.6Very low166 Ų166143.6 Ų143.687%0.86978%0.782SS**  trans-159.9106.8137.6-124.576.3000104
551S28.3Very low30.7Very low94 Ų94144.3 Ų144.366%0.65779%0.786SS**  55.28853.6-158.40000111.5
552G31.4Very low30.6Very low70 Ų70146.8 Ų146.872%0.72279%0.788SS**  trans-140.687.3177.700000109.8
553N28.2Very low30.6Very low133 Ų133144.4 Ų144.471%0.71179%0.789SS**  trans-74.3126.3-172.7-64.2-27.9000112.2
554Y29.4Very low30.6Very low212 Ų212143.4 Ų143.483%0.83179%0.789SS**  trans-138.265.8159.7-85-71.1000111.9H556Y554-H556 PolarHBondContact O-N 2.99Å; Y554-H556 VanDerWaalsContact O-N 3.16Å
555T30.5Very low30.5Very low127 Ų127140.7 Ų140.778%0.77979%0.79SS**  trans-85.759.1169.451.50000111.3
556H35.5Very low30.7Very low149 Ų149140.3 Ų140.369%0.6979%0.792SS**  trans-144.7125.2171.8-61.4-73.3000107.3Y554Y554-H556 PolarHBondContact O-N 2.99Å; Y554-H556 VanDerWaalsContact O-N 3.16Å
557L33.3Very low30.9Very low165 Ų165140.1 Ų140.186%0.86479%0.785SS**  cis-133.3134.66.5-63167.1000109.9
558L33.3Very low31.4Very low160 Ų160142.4 Ų142.484%0.83879%0.79SS**  trans-101.6136.3165-87.8164.5000109.7
559N32.5Very low31.3Very low139 Ų139143.7 Ų143.774%0.74378%0.783SS**  trans23.7102157.4-55-1.8000118.3
560P30Very low31.5Very low114 Ų114148.7 Ų148.774%0.7479%0.793SS**  trans-68.6164.1131.335.4-33.2000109.9
561L30.2Very low31.6Very low160 Ų160146.6 Ų146.684%0.83878%0.782SS**  trans67.188.2176-47.5178.9000115.8
562L30.5Very low31.7Very low182 Ų182149 Ų14995%0.95379%0.785SS**  176.572.2128.7-96.4168.9000111.1
563S29.4Very low31.8Very low118 Ų118152.4 Ų152.483%0.82579%0.787SS**  trans-164.1101.9157.8-156.40000111.2
564I32.5Very low32.2Very low175 Ų175151.3 Ų151.390%0.89779%0.789SS**  trans-168.4102.4144.3-85.5138.1000103.2
565D28.7Very low32.5Very low156 Ų156149.1 Ų149.183%0.83479%0.791SS**  trans-158108.9160.8-161.9-3.1000109.7
566S34.9Very low32.7Very low102 Ų102148.4 Ų148.471%0.71379%0.788SS**  trans178.4109.6159.751.60000111.2
567H34.7Very low32.8Very low166 Ų166149.6 Ų149.677%0.76979%0.794SS**  trans45.7105147.6-74.6-84.2000120.5
568N34.8Very low32.7Very low141 Ų141148.7 Ų148.775%0.75479%0.785SS**  -172.2112.592.8-81.4-35.3000107.7
569Q29Very low32.9Very low148 Ų148147.8 Ų147.869%0.69278%0.78SS**  53.3110.686.5-166.8179.431.100113.3
570W34.3Very low32.7Very low245 Ų245147.5 Ų147.593%0.92878%0.779SS**  -162.1148.7129.4-95.615.4000109.5
571D32Very low33Very low122 Ų122151.4 Ų151.465%0.65279%0.787SS**  trans-77.4167.1-175.9-62.9-83.6000112.8
572M31.5Very low32.9Very low146 Ų146148.7 Ų148.772%0.71978%0.782SS**  cis-169.6172.9-11.8-109.6-75.4-177.400109.4
573N33.9Very low32.9Very low140 Ų140144.9 Ų144.975%0.74977%0.77SS**  trans79.9148.5157.1-59.4-41.1000121.6
574S34.9Very low33.2Very low110 Ų110144.4 Ų144.477%0.76976%0.762SS**  trans80.664154.5-56.60000120.8
575I35.7Very low33.1Very low167 Ų167145.5 Ų145.586%0.85676%0.757SS**  40.9136.5112.8-65.5176000119.7
576P35.9Very low33.3Very low112 Ų112147.7 Ų147.773%0.72776%0.759SS**  trans-111.3164.6-163.242.9-35.3000116.8
577H37.4Very low33.2Very low174 Ų174152.1 Ų152.181%0.80677%0.765SS**  trans-175.2153.3157.1-101.8-91.1000105.7
578E31.5Very low33.1Very low145 Ų145149.4 Ų149.468%0.67877%0.765SS**  cis-164.9164.1-14.3-160.3178.7154.600108.7
579L36.2Very low32.8Very low142 Ų142149.7 Ų149.774%0.74377%0.766SS**  trans64.3137.6156.3-123.974.2000122.6
580D29.2Very low32.9Very low132 Ų132147.9 Ų147.971%0.70677%0.769SS**  trans21.7113.2150.4-80-15.6000121.4
581Q35.6Very low32.8Very low197 Ų197143.8 Ų143.892%0.92177%0.766SS**  -166.3170.898.4-109.3152.297.100115.4
582S28.3Very low33Very low103 Ų103143.6 Ų143.672%0.7277%0.769SS**  trans-83.5155.5-166.352.90000115.9
583S31Very low33.1Very low102 Ų102144 Ų14471%0.71377%0.774SS**  trans105.7143.6140.581.60000121.2
584T35Very low33Very low108 Ų108145 Ų14566%0.66378%0.779SS**  trans87.7137.5153.9-24.20000119.1
585Y30.1Very low33.1Very low198 Ų198149.2 Ų149.278%0.77678%0.784SS**  trans60.5124.6177.3-66.5-80.4000116.4
586F34.3Very low33.1Very low201 Ų201149.6 Ų149.688%0.88279%0.786SS**  cis-130.615827.3-99.4-97.2000114.4
587K32Very low33.2Very low196 Ų196152.4 Ų152.485%0.85279%0.787SS**  trans-144.9108.9173.2-175.1173.9-179.8177.20112.3
588S32.5Very low33.1Very low109 Ų109153.6 Ų153.676%0.76279%0.786SS**  trans-172.3146.4167.3-83.70000108.1
589L29.5Very low33.1Very low146 Ų146154.6 Ų154.676%0.76480%0.795SS**  cis-151.6116.22.7-119.7163.2000108.8
590S30.7Very low33Very low110 Ų110153 Ų15377%0.76979%0.793SS**SBendtrans-164.559173.267.10000113.4
591D31Very low33.2Very low160 Ų160153.7 Ų153.786%0.85680%0.803SS**  trans-174.972.5161.3-103-27.6000112.4
592V35.7Very low32.9Very low117 Ų117151.5 Ų151.571%0.70980%0.797SS**  trans-145.382.6165.9-168.80000111.4
593N33.9Very low33.1Very low156 Ų156154.3 Ų154.383%0.83480%0.799SS**  167.993.3129.3-91.3-38.3000112
594N33.6Very low33.2Very low161 Ų161154.3 Ų154.386%0.86179%0.791SS**  trans-123.5146.3156.4-107.6-53.6000107.6
595K35.9Very low32.8Very low198 Ų198158.5 Ų158.586%0.86180%0.796SS**  trans78.588.2-178.1-55.2175.4175.3173.80118.3
596L35.5Very low32.8Very low174 Ų174158 Ų15891%0.91180%0.798SS**  trans-151.183.4135.2-100.3171.1000106.5
597K39.2Very low32.6Very low171 Ų171153.5 Ų153.574%0.74379%0.787SS**  51107.587.8-94.5-159.4172.3-169.40115.2
598Y34.2Very low32.5Very low200 Ų200152.3 Ų152.378%0.78479%0.785SS**  trans55.9107.7154.7-66.7-88.8000119.5
599L32Very low32.5Very low166 Ų166152.9 Ų152.987%0.86979%0.786SS**  -175145.597.8-94.5165.3000110.6
600P33Very low32.5Very low108 Ų108151 Ų15170%0.70178%0.784SS**  trans-107.5144.1176.537.5-29.4000113.5
601T33.8Very low32.7Very low147 Ų147152 Ų15290%0.90278%0.784SS**  trans-159.2156.9150.350000110.7
602N30.2Very low32.8Very low151 Ų151152 Ų15281%0.80779%0.785SS**  trans-92.2175.9-176.3-63.5-26.9000112.5
603E32.2Very low32.8Very low162 Ų162152.8 Ų152.876%0.75779%0.785SS**  trans125.499.7138.5-62.8-109.1146.900116.9
604N32.5Very low32.9Very low101 Ų101151.8 Ų151.854%0.5478%0.78SS.*  79.6127.4118.9-74.3-30.4000123
605Y27.2Very low33.2Very low197 Ų197151.7 Ų151.777%0.77378%0.778SS**  trans47.8126.8153.8-56.7-66.4000119.1
606F29.3Very low33.3Very low188 Ų188146.9 Ų146.983%0.82577%0.767SS**  -155.6133.784-125-117.1000115.5
607T31.3Very low33.2Very low106 Ų106146.8 Ų146.865%0.6576%0.76SS**  trans41.5126.3145.1600000123
608Q29.7Very low33.2Very low171 Ų171145.8 Ų145.880%0.79976%0.76SS**PPolyproline II helixtrans-70.1153.3140.2-59.9171.8-81.800110.8
609P32.2Very low33.2Very low121 Ų121141.9 Ų141.979%0.78675%0.752SS**PPolyproline II helixtrans-101.2119.3151.833.5-24.8000110.9
610C29.2Very low33.3Very low107 Ų107138.8 Ų138.872%0.72375%0.745SS**PPolyproline II helixtrans-88.5129.2166.7-620000109.1
611V34.2Very low33.5Very low129 Ų129138.8 Ų138.878%0.78274%0.743SS**  trans-108.294.9171.9-85.80000110.3
612N33.2Very low33.7Very low162 Ų162140 Ų14087%0.86674%0.738SS**  trans-106.7132.1155.3-79.5-1.1000107.2
613N36.8Very low34Very low133 Ų133137.6 Ų137.671%0.71173%0.733SS**  trans-89171.1173.2-69.2-13.3000111.1
614D35.2Very low34.4Very low135 Ų135134.4 Ų134.472%0.72273%0.734SS**  trans71.775.5156.4-49.4-38000117.9
615L39.9Very low34.6Very low158 Ų158134.9 Ų134.983%0.82775%0.746SS**  42.3155.9107.3-66.1156.5000120
616P39.6Very low35Very low98 Ų98129 Ų12964%0.63675%0.745SS**  cis-138.8162.7-26.933.4-15000114.6
617F33.4Very low35.3Very low171 Ų171127.3 Ų127.375%0.7574%0.743SS**  177.8143.9119.7-116.8-105.9000112.3
618M37.5Very low35.7Very low150 Ų150130.1 Ų130.174%0.73975%0.747SS**  trans32.8138.9149.5-78.1-178.4160.100121.9
619D34.5Very low36.1Very low119 Ų119128.6 Ų128.664%0.63674%0.744SS**  cis-167.1148.6-8.6-147.8-40.7000110
620S34.5Very low36.2Very low101 Ų101128.2 Ų128.271%0.70674%0.744SS**  trans58.4152154.4-69.20000120
621V38Very low36.7Very low108 Ų108128.2 Ų128.266%0.65574%0.743SS**  cis-159.1140.7-10.4119.10000108.8
622Q38Very low36.7Very low171 Ų171129.1 Ų129.180%0.79974%0.743SS**  trans30.3151.3148.5-58.4168.9-49.700122
623S35.7Very low36.8Very low101 Ų101129.4 Ų129.471%0.70674%0.744SS**  cis-176.5156.5-9.8-95.60000110
624A39.7Very low36.6Very low95 Ų95130.2 Ų130.279%0.78575%0.747SS**  trans53.3153.5143.100000122
625S38Very low36.5Very low112 Ų112130.5 Ų130.578%0.78375%0.748SS**  cis-173.6131.3-21.253.20000111.5
626G35.7Very low36.2Very low73 Ų73129.8 Ų129.875%0.75375%0.745SS**  trans72.7177.5159.800000117.9
627L36.2Very low35.7Very low152 Ų152135.5 Ų135.580%0.79675%0.754SS**  cis-163.6144.3-14.6-109.7170.6000110
628K39.4Very low35.9Very low166 Ų166133.2 Ų133.272%0.72276%0.757SS**  trans69113154.2-72.2168179.11780122.3
629N36.6Very low35.5Very low139 Ų139131.3 Ų131.374%0.74375%0.75SS**  71.9106.4118.4-60.719.1000122.7
630S34.1Very low35.6Very low112 Ų112132 Ų13278%0.78376%0.758SS**  82.2154.5115.7-55.90000120.1
631P41.1Very low35.9Very low108 Ų108131.5 Ų131.570%0.70175%0.753SS**  trans-131.4-167.7-139.142.9-26.4000116.2
632N34.5Very low35.8Very low148 Ų148136.7 Ų136.779%0.79176%0.762SS**  trans85.4107.6178.1-49.4-76.4000115.4
633L35.2Very low35.5Very low167 Ų167133.7 Ų133.787%0.87476%0.758SS**  -167.1164.4104.7-101.5168.7000113
634L31.4Very low35.4Very low150 Ų150134.2 Ų134.279%0.78576%0.761SS**  trans-51.2168.3-179.4-79.3151.6000117.9
635L34.3Very low35.2Very low141 Ų141134.7 Ų134.774%0.73876%0.758SS**  trans94.7125.6161.8-93.668.5000120.4
636N32.8Very low35.1Very low143 Ų143134.7 Ų134.777%0.76576%0.759SS**  trans66.3133.4142.6-63.3-3.2000122.8
637W29.6Very low35.2Very low218 Ų218136.5 Ų136.583%0.82676%0.76SS**  trans-56.6152.8157.6-89.734000112.6N639W637-N639 VanDerWaalsContact CZ3-OD1 3.24Å; W637-N639 WeakPolarHBondContact CZ3-OD1 3.47Å
638P36.9Very low35.3Very low124 Ų124135.5 Ų135.581%0.80576%0.76SS**  -134.4175.1108.137.8-28.2000115
639N30Very low35.3Very low110 Ų110132.9 Ų132.959%0.58876%0.762SS**  trans-84.3152.1-169.2-66.5-67.3000115.7W637W637-N639 VanDerWaalsContact CZ3-OD1 3.24Å; W637-N639 WeakPolarHBondContact CZ3-OD1 3.47Å
640T36.2Very low35.3Very low133 Ų133132.2 Ų132.282%0.81676%0.763SS**  trans66.1174.6145.153.20000116.7
641P40.3Very low35.5Very low91 Ų91133.9 Ų133.959%0.59177%0.768SS**  cis-144.4176.511.346.6-28.9000119.3
642Y35.9Very low35.3Very low217 Ų217133.2 Ų133.285%0.85177%0.767SS**  trans59.3153159-58.5-55.6000117.6
643C32.2Very low35.4Very low107 Ų107133.8 Ų133.872%0.72377%0.768SS**  cis-154.8-172.9-6.3-126.40000107.6
644C33.3Very low35.5Very low112 Ų112130.4 Ų130.476%0.75776%0.759SS**  cis-154.7-163.110.4-145.70000112
645S34.8Very low35.7Very low105 Ų105127.5 Ų127.573%0.73475%0.751SS**  trans-67.4162.9177.9-38.50000114.7
646S36.9Very low35.7Very low113 Ų113128 Ų12879%0.7976%0.755SS**  cis-142.4-16822.4-56.50000110.8
647S38.1Very low35.8Very low111 Ų111126 Ų12678%0.77675%0.752SS**  cis-160.4-171.814.7-151.30000113.9
648T38.5Very low36.1Very low131 Ų131124.2 Ų124.280%0.80475%0.753SS**  trans-81166.5178.252.30000113.7
649S37.9Very low36.1Very low110 Ų110123.9 Ų123.977%0.76975%0.749SS**  cis-151.6161.225.358.10000116.6
650V37.5Very low36.3Very low125 Ų125123 Ų12376%0.75875%0.751SS**  trans-56.9153176.8-68.40000117.7
651V39.2Very low36.3Very low147 Ų147123.8 Ų123.889%0.89175%0.75SS**  -145.5155117-172.70000108.2
652S35.1Very low36.2Very low95 Ų95123.8 Ų123.866%0.66475%0.752SS**  trans-119.1-167-170-51.30000113.5
653L37.3Very low36.2Very low159 Ų159119.1 Ų119.183%0.83274%0.742SS**  trans90.2110.6167.8-59.7156.5000114.4
654S36.4Very low36.4Very low97 Ų97123.4 Ų123.468%0.67874%0.744SS**  82145.164.276.60000113.1
655S35.7Very low36.6Very low89 Ų89123.6 Ų123.662%0.62274%0.738SS**  cis-178.7164.4-5.542.80000109.5
656N34.5Very low36.6Very low152 Ų152125.7 Ų125.781%0.81374%0.741SS**  trans68.1162.3171.2-45.1-28.4000114.3
657S36Very low36.7Very low99 Ų99125.6 Ų125.669%0.69274%0.74SS**  cis-141.4156.70.3-25.80000108.4
658Q34.9Very low36.6Very low182 Ų182131.7 Ų131.785%0.8575%0.746SS**  35.8130.892.1-47.9-178.8-7.800113.4
659T37.5Very low36.7Very low117 Ų117130.2 Ų130.272%0.71874%0.739SS**  cis-157.712542.4420000109.2
660S34.7Very low36.7Very low91 Ų91132.7 Ų132.764%0.63674%0.738SS**  77.5149.679.882.20000116.4
661N35.8Very low36.4Very low150 Ų150135.6 Ų135.680%0.80274%0.736SS**  trans78.1144162.9-60-14.6000117.8
662S38.7Very low36.3Very low90 Ų90137.2 Ų137.263%0.62973%0.731SS**  cis-169.2140.3-9.344.80000115.8
663N35.2Very low36.4Very low119 Ų119139.3 Ų139.364%0.63673%0.73SS**  trans72.8153.4135.1-61.1-5.5000123.9
664Y35.8Very low36.4Very low197 Ų197139.8 Ų139.877%0.77373%0.728SS**  trans74.2138.6158.5-53.4-50.8000117.9
665N39.1Very low36.5Very low117 Ų117139.8 Ų139.863%0.62672%0.724SS**  cis-155.6124.1-8.2-110.8-29.6000107.9
666N34.8Very low36.5Very low148 Ų148146 Ų14679%0.79174%0.735SS**  90.415586.2-109.1-39.6000116.9
667S38.4Very low36.6Very low112 Ų112144.4 Ų144.478%0.78373%0.726SS**  trans82.869.4158.8-550000122.7
668R35.2Very low36.7Very low238 Ų238147.6 Ų147.690%0.89873%0.73SS**  trans-26.3178.1132.8-144.9-159.8171.3-174.8-1116.7
669P41.2Very low36.9Very low100 Ų100145.3 Ų145.365%0.64973%0.728SS**  -125.1-164.4-78.744.1-28.1000114.2
670Q38.5Very low36.9Very low162 Ų162147 Ų14776%0.75773%0.732SS**  trans146.8140.7147.6-70-109.840.400108
671R30.8Very low37.1Very low187 Ų187150.6 Ų150.671%0.70674%0.744SS**  cis117.8112.714179.5-174.5-174.9169.14.1110
672F37.5Very low37.2Very low181 Ų181146.6 Ų146.679%0.79474%0.738SS**  trans167.3106.1150.7-86-61.1000107.1
673Q37Very low37Very low139 Ų139148.9 Ų148.965%0.6575%0.753SS**  74.5106.578.7-87.2-161.9-46.300117.3
674H36.2Very low37.2Very low169 Ų169147.9 Ų147.978%0.78276%0.755SS**  169.6104122.7-99.6-84.1000107.8
675V38.7Very low37.2Very low97 Ų97145.3 Ų145.359%0.58875%0.753SS**  72.9103.971.6177.10000113.9
676Y35.2Very low37Very low220 Ų220148 Ų14886%0.86376%0.762SS**  -154.3152.1122.6-123.9-85.8000111
677N37.6Very low37.4Very low118 Ų118153 Ų15363%0.63178%0.78SS**  trans-94178.4-179.9-48.4-64.8000110.5
678H38.3Very low37.4Very low166 Ų166155.1 Ų155.177%0.76978%0.78SS**  cis-141.9-178.610.6-96.1-62.5000108.4
679V39.9Very low37.5Very low133 Ų133150.7 Ų150.781%0.80677%0.774SS**  cis-136.3-159.815.4-142.60000110.6
680L37.1Very low37.3Very low153 Ų153153.5 Ų153.580%0.80178%0.781SS**  trans-140.7150.9179-84.5163.6000112.4
681N38.5Very low37.2Very low166 Ų166153 Ų15389%0.88878%0.782SS**  trans147.3132143.7-75.8-13.4000110.6
682G36.7Very low37.6Very low66 Ų66150.9 Ų150.968%0.6879%0.787SS**  cis162.8137.1-7.600000112.1
683C36Very low37.6Very low138 Ų138148.9 Ų148.993%0.93279%0.786SS**  trans66.8162.1176.5-58.80000118.2
684S38.4Very low37.7Very low98 Ų98149.6 Ų149.669%0.68580%0.796SS**  176.8120-62.6172.10000111.2
685I35.4Very low37.8Very low143 Ų143148.1 Ų148.173%0.73380%0.797SS**  trans28.1111.9143.4-44.3175.6000119.5
686H36.5Very low37.7Very low174 Ų174152.3 Ų152.381%0.80682%0.815SS**  trans161.2142.3132.9-100.4-84.2000107.3
687E43.1Very low38Very low253 Ų253146.2 Ų146.2100%1.18281%0.81SS**  cis-132.105.8-179.1171.1-142.400110.1

Retrieved 687 of 687 residues in 267.5 ms (Link to these results)