A0A077ZKI5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 568 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
1K51.5Low57.5Low247 Ų247167 Ų167100%1.07482%0.822SS**  095.50-93.2-165.9172.4-168.60108
2E58.5Low57Low182 Ų182163.9 Ų163.985%0.8580%0.804SS**  cis-67.6-177.8-14.2-90.479.1169.200111.7
3E51.3Low56.3Low191 Ų191163.6 Ų163.689%0.89380%0.796SS**  trans-120.5123.8160-75.2173.499.200106.3
4E63.9Low55.9Low183 Ų183164.4 Ų164.486%0.85580%0.804SS**  trans-108.9114.1165-166.8173.7152.200108
5K56.3Low55.5Low147 Ų147166.1 Ų166.164%0.63981%0.809SS**  trans-106.483.5-173-179.5-179.7166.5-75.30109.2E7K5-E7 IonicContact NZ-OE1 3.26Å; K5-E7 PolarHBondContact NZ-OE1 2.64Å; K5-E7 IonicContact NZ-OE2 2.81Å; K5-E7 PolarHBondContact NZ-OE2 2.9Å
6V61.1Low55.1Low125 Ų125168.2 Ų168.276%0.75882%0.817SS**  trans-71.3129.3167.1-177.10000108.2
7E59Low54.8Low145 Ų145162.8 Ų162.868%0.67882%0.815SS**  trans-116.7114.1-170-174.5150.3-125.200109.5K5K5-E7 IonicContact NZ-OE1 3.26Å; K5-E7 PolarHBondContact NZ-OE1 2.64Å; K5-E7 IonicContact NZ-OE2 2.81Å; K5-E7 PolarHBondContact NZ-OE2 2.9Å
8E61.5Low54Low182 Ų182164.5 Ų164.585%0.8582%0.82SS**  trans-70129.3-177.8-68-175.4128.100111.6N10E8-N10 PolarHBondContact O-N 3.24Å; E8-N10 VanDerWaalsContact O-N 3.16Å
9P67.4Low53.8Low118 Ų118163.8 Ų163.877%0.76683%0.826SS**  trans-75.4104171.930.1-32.5000110.3L11P9-L11 PolarHBondContact O-N 3.16Å
10N48.2Very low53.6Low146 Ų146165.2 Ų165.278%0.78183%0.826SS**  trans-64.3114.6176.1-175.70.1000111.4E8E8-N10 PolarHBondContact O-N 3.24Å; E8-N10 VanDerWaalsContact O-N 3.16Å
11L53.5Low53.9Low171 Ų171162.9 Ų162.990%0.89582%0.823SS**  trans-111.797.7175.4-85.4169.7000110.5P9P9-L11 PolarHBondContact O-N 3.16Å
12E52.1Low54.2Low130 Ų130160.3 Ų160.361%0.60782%0.815SS**  trans-132.9137.1172.3-149.9-159176.200110.6
13K47.5Very low53.6Low160 Ų160160.6 Ų160.670%0.69682%0.816SS**  trans66.5105.7170.2-66.2141.7-175.6153.80118.2
14L50.7Low54.3Low175 Ų175157.6 Ų157.692%0.91681%0.813SS**  trans-156.382.2133.5-116.1167.6000110.8
15E50Low53.9Low189 Ų189155.8 Ų155.888%0.88382%0.815SS**  trans-86.6125.9158.1-75-176.497.200109
16E49.7Very low53.4Low200 Ų200157.5 Ų157.594%0.93583%0.825SS**  trans-178.7152.5140.6-108.3-179.118000110.9
17G48.9Very low52.9Low76 Ų76161 Ų16178%0.78483%0.833SS**  trans100.675.515900000118.4
18Q41.7Very low52.2Low194 Ų194159.6 Ų159.691%0.90783%0.834SS**  trans-71.6138.9156.8-67.8179.9-10.500111.1
19T48.7Very low51.6Low151 Ų151157.7 Ų157.793%0.92684%0.835SS**  trans-163.9153.5141.830000111.9
20K50.4Low50.8Low192 Ų192161 Ų16184%0.83584%0.84SS**  trans-129.9133.5-173.9178.1-173179-173.10110.5
21P59.8Low50.7Low117 Ų117158.5 Ų158.576%0.7684%0.84SS**  trans-105.5171.3164.436.3-28.2000113.1
22E57.9Low50.8Low192 Ų192156.7 Ų156.790%0.89784%0.838SS**  trans-105.4172.5-172.6-64168.7110.100113.3
23E45.8Very low50.5Low189 Ų189158.8 Ų158.888%0.88385%0.845SS**  trans-73.9149.8179.7-62175.511600113.8
24P65.6Low50.8Low128 Ų128159.8 Ų159.883%0.83186%0.855SS**  trans-92.4153164.736.3-32.1000112.7
25V56.7Low50.7Low145 Ų145158.9 Ų158.988%0.87985%0.846SS**  trans-106.5146.4179.6-176.90000111
26E45.4Very low50.8Low182 Ų182157.9 Ų157.985%0.8585%0.846SS**  trans-70.7146.4176.9-58-174.3129.300114
27E50.6Low50.6Low198 Ų198154.3 Ų154.393%0.92584%0.838SS**  trans-150.3163.5140.8-138.5-174.414800111.5
28V44.8Very low50.6Low117 Ų117155.7 Ų155.771%0.70983%0.834SS**  trans-113.8150-158.2177.40000112.4
29T47.4Very low50.7Low141 Ų141152.1 Ų152.187%0.86583%0.825SS**  trans-155.9161.1151.6-6.70000114.4
30E51.3Low50.4Low189 Ų189153 Ų15388%0.88382%0.819SS**  trans-87170.1-153.3-56.9172.7108.800117.2
31A46.4Very low50Low93 Ų93153.3 Ų153.377%0.76982%0.823SS**  trans-111.4176.2175.500000112.9
32P55.9Low48.9Very low133 Ų133153.9 Ų153.986%0.86483%0.825SS**  trans-133.6162.4146.637-24.7000115.1
33K45.2Very low48.2Very low173 Ų173152.5 Ų152.575%0.75282%0.818SS**  trans-99.3161.7-173.5-51.7172.2179.7177.50114.1
34M54.1Low48.1Very low182 Ų182149.5 Ų149.590%0.89781%0.808SS**  -142.4124.9123.5-63.1-165.3-63.200105.7
35E48.6Very low46.9Very low155 Ų155150.2 Ų150.272%0.72480%0.8SS**  6698.556.4-67.2-162.8152.300114.6
36D51.7Low46.2Very low168 Ų168151.8 Ų151.890%0.89880%0.795SS**  -161.2149.1120.6-112.2-29.1000110.7
37T45.8Very low45.8Very low125 Ų125147.1 Ų147.177%0.76780%0.796SS**  trans-146-172.9-165.3-22.60000113.1
38P48.2Very low45.6Very low106 Ų106143.4 Ų143.469%0.68879%0.792SS**  -101.3-166.7-120.143.9-29.7000114.5
39T44.8Very low45.4Very low118 Ų118146 Ų14672%0.72480%0.797SS**  178.1155.2120.8-70.20000112.4
40E42.9Very low45.4Very low171 Ų171148.1 Ų148.180%0.79980%0.797SS**  trans-31.4151.1178-54.4165.396.200120
41Q41.3Very low44.9Very low198 Ų198147 Ų14793%0.92579%0.789SS**  -168.6158.9106.9-103.117412.200114.3
42T36.2Very low44.7Very low128 Ų128151.3 Ų151.379%0.78579%0.793SS**  trans-107.1148.7-17750.70000112.8
43E44.6Very low43.9Very low163 Ų163150.3 Ų150.376%0.76279%0.785SS**  168.9136.1129.8-98.7-163.2112.600113.7
44N41.9Very low43.7Very low127 Ų127149.8 Ų149.868%0.67979%0.785SS**  trans59.5169147.4-53.2-29.7000118.5
45E41.3Very low43.2Very low142 Ų142149.3 Ų149.366%0.66478%0.78SS**  cis-149.2160.1-3.8-143.2-178.3146.700112
46K41.5Very low42.9Very low178 Ų178149.8 Ų149.877%0.77479%0.788SS**  trans6.8116.5160.5-64.2159.4-168.8155.40120.4
47G37.9Very low42.4Very low84 Ų84144.9 Ų144.987%0.86678%0.777SS**  83.2141.987.400000120.8
48S45.3Very low42.2Very low121 Ų121148 Ų14885%0.84678%0.783SS**  trans-146.7154.5153.5-169.50000109.7
49Q41Very low42Very low171 Ų171148.5 Ų148.580%0.79978%0.784SS**  trans-143.6123.4176.3-179.9-177.171.700108.5
50E48.7Very low42.1Very low185 Ų185153.9 Ų153.986%0.86479%0.791SS**  trans-122.6148.9-178.7-164.9151.5-145.700111
51K40.6Very low42.2Very low167 Ų167154.9 Ų154.973%0.72680%0.796SS**  trans-141.5130.8-175.4-69.2-179.4177.9-178.60110.2
52Q41.1Very low42.2Very low183 Ų183154.8 Ų154.886%0.85580%0.795SS**  trans-165.2133.9142.3-101.6158.4-37.400106.8
53T39Very low42.3Very low112 Ų112153.5 Ų153.569%0.68780%0.797SS**  76124.561.9-54.80000109.6
54Q42.2Very low42.2Very low161 Ų161149.1 Ų149.175%0.75280%0.796SS**  cis-162.2-178.119.9-146.7158.4-3.400113.3
55Q42.2Very low42.3Very low172 Ų172150.1 Ų150.180%0.80480%0.797SS**  trans74.9126.6168.3-62.9167.9-17.500115.2
56D42.3Very low42.4Very low165 Ų165153.2 Ų153.288%0.88281%0.811SS**  cis87.4126.327.9-70.7-50.4000116.4
57G42.4Very low42.5Very low65 Ų65151.9 Ų151.967%0.6781%0.808SS**  trans129.7103.8-172.400000110
58E41Very low42.9Very low190 Ų190157.1 Ų157.189%0.88881%0.809SS**  70.1129.279-72.5-157.592.800113.9
59V44.6Very low43Very low118 Ų118161.4 Ų161.472%0.71581%0.813SS**  cis-142.8131.2-7.4144.40000111
60R45.9Very low43.3Very low231 Ų231161.7 Ų161.787%0.87281%0.814SS**  trans-14.5125.4148.2172.5-156.2-165.9170.43.3118.5
61E46.4Very low43.2Very low191 Ų191161.8 Ų161.889%0.89382%0.815SS**  trans-149.993.3140.2-152.8154.2-119.300112.7
62E40.8Very low43.3Very low197 Ų197163.2 Ų163.292%0.92182%0.824SS**  trans-116.294.8163.9-82-169.4140.800108.4
63A38.4Very low43.5Very low100 Ų100163.1 Ų163.183%0.82682%0.821SS**  trans-173.5100.9162.400000110.7
64G42.3Very low43.8Very low71 Ų71163.4 Ų163.473%0.73282%0.822SS**  trans-168.1119.717600000111.5
65Q44.1Very low44Very low149 Ų149164.5 Ų164.570%0.69683%0.827SS**  trans-35.6140.5178-68.8126.2-80.600114.4E67Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 HydrophobicContact CB-CB 3.66Å; Q65-E67 HydrophobicContact CG-CB 4.13Å; Q65-E67 PolarHBondContact NE2-OE2 2.9Å
66E42.4Very low44Very low207 Ų207165.6 Ų165.697%0.96783%0.832SS**  cis55.828.828.7-147176-154.300115.4
67E44.9Very low44.1Very low150 Ų150166.8 Ų166.870%0.70183%0.833SS**  trans-148.633.6176.9-157.2156.4-149.600113.3Q65Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 HydrophobicContact CB-CB 3.66Å; Q65-E67 HydrophobicContact CG-CB 4.13Å; Q65-E67 PolarHBondContact NE2-OE2 2.9Å
68E45.8Very low44.1Very low193 Ų193172.8 Ų172.890%0.90284%0.84SS**SBendtrans-135.462.2179.6-164.5-176.8-143.700110.9
69K47.8Very low44.1Very low212 Ų212173.4 Ų173.492%0.92284%0.843SS**SBendtrans-15510.3-172.3-128168.3-166.4160.10117.7
70E46.7Very low43.7Very low177 Ų177170.8 Ų170.883%0.82784%0.84SS**SBendtrans-126.1-7.3-172.3-158.8153.1-152.800114.8
71E46.2Very low43.6Very low186 Ų186169.5 Ų169.587%0.86984%0.844SS**SBendtrans-94.7-26.7179.8-59.3-159.813800114.7K73E71-K73 PolarHBondContact O-N 2.67Å
72E42.4Very low43.3Very low197 Ų197170.9 Ų170.992%0.92184%0.841SS**THydrogen-bonded Turntrans-7343.7178.1-158.9-162.5169.200112.9
73K45.3Very low43.3Very low182 Ų182170 Ų17079%0.79184%0.837SS**THydrogen-bonded Turntrans-157.615.4-179.7-141.5166.4-173.9158.50117.3E71E71-K73 PolarHBondContact O-N 2.67Å
74V46.4Very low43.4Very low117 Ų117172.8 Ų172.871%0.70983%0.833SS**SBendtrans-115.4-5.4-171.8-177.10000113.9
75E45.8Very low43.4Very low185 Ų185177.3 Ų177.386%0.86484%0.835SS**SBendtrans-101.9-28.3177.2-63.9-163.1122.200115.1Q77E75-Q77 PolarHBondContact O-N 3.03Å
76E43.1Very low43.2Very low194 Ų194178.1 Ų178.191%0.90784%0.838SS**THydrogen-bonded Turntrans-73.129.3-172.9-152.4-169.9-178.400114.8
77Q42.8Very low43.1Very low191 Ų191175.2 Ų175.289%0.89384%0.835SS**THydrogen-bonded Turntrans-152.425.4-174.8-140.5177.118.400116.3E75E75-Q77 PolarHBondContact O-N 3.03Å
78K43.4Very low43.1Very low190 Ų190177.6 Ų177.683%0.82684%0.843SS**SBendtrans-137.97.3-168-140.4-178.5-180-177.50118.7
79E40.3Very low43.2Very low203 Ų203173.7 Ų173.795%0.94983%0.834SS**SBendtrans-126.331.8-178.8-154.8153.1-131.800113.5
80G36Very low43.1Very low63 Ų63172.4 Ų172.465%0.64983%0.832SS**SBendtrans-110.4154.5160.600000110.5
81E44.2Very low43Very low205 Ų205172.2 Ų172.296%0.95883%0.831SS**  trans60.781.2179.8-57.2-169.7107.400116.9
82R41.1Very low43Very low220 Ų220168.4 Ų168.483%0.8382%0.822SS**  -159.5109.1124.8-154.5153.4-176.9165.8-7116
83E39.7Very low43Very low178 Ų178165.2 Ų165.283%0.83282%0.816SS**  trans-107171.6163.7-149.2168.3-166.400110.3
84E40.6Very low42.8Very low159 Ų159165.3 Ų165.374%0.74382%0.819SS**  trans48.3115.8167.6-57-155.2117.300121.7
85E42.1Very low42.9Very low165 Ų165169 Ų16977%0.77183%0.829SS**  -156.3130.9125-133.7177.7130.400110.1
86Q39.4Very low42.6Very low166 Ų166166 Ų16678%0.77682%0.823SS**  trans-95.9156.5-174.6-56.5174.80.300113.3
87T40.3Very low42.8Very low146 Ų146163.6 Ų163.690%0.89682%0.821SS**  trans-168.6138.4132.210.90000115.1
88K44.9Very low42.6Very low200 Ų200160.3 Ų160.387%0.8782%0.815SS**  trans-105-176.4157.7-110-172179.1-173.40108.2
89P49.7Very low42.9Very low111 Ų111160.7 Ų160.772%0.72182%0.819SS**  cis-120.6-150.97.341.6-20.8000111.3
90E44.1Very low43.1Very low186 Ų186157.3 Ų157.387%0.86980%0.804SS**  cis-163159.942.7-161.7165.6-150.800111.4
91E44.4Very low43.7Very low173 Ų173158.8 Ų158.881%0.80880%0.802SS**  trans-137.1160.4-175.5-157.4-167.9-96.600108
92P46.4Very low43.6Very low106 Ų106156.2 Ų156.269%0.68879%0.787SS**  -167.8176.9100.443.6-22.2000119.8
93V43.8Very low43.8Very low130 Ų130152.5 Ų152.579%0.78878%0.784SS**  trans82122.2154.1-171.50000120.8
94E39.5Very low44Very low184 Ų184149.5 Ų149.586%0.8678%0.778SS**  trans-104.3167.6156.3-68-162.611900113
95E48.4Very low44.3Very low193 Ų193147.1 Ų147.190%0.90278%0.779SS**  trans-133.2145.2165.1-170170.6-15000110.5
96T41.1Very low44.3Very low122 Ų122146.4 Ų146.475%0.74878%0.78SS**  trans-106.9165.6-165.558.40000114.1
97V46.7Very low44.5Very low144 Ų144145.3 Ų145.387%0.87378%0.775SS**  trans-168.8148.9140.8133.20000111.9
98T38.5Very low44.6Very low123 Ų123145.7 Ų145.776%0.75577%0.767SS**  trans-116.7154.9-173.5-42.40000111.8
99E49.7Very low44.6Very low197 Ų197141.6 Ų141.692%0.92176%0.759SS**  trans-158.6154.5137.8-85.6-129.9113.100112.2
100E44.1Very low44.2Very low132 Ų132144.3 Ų144.362%0.61776%0.762SS**  trans-119.5-153.2176-143.1-137.3129.300106.6K102E100-K102 IonicContact OE1-NZ 2.73Å; E100-K102 PolarHBondContact OE1-NZ 3.02Å; E100-K102 IonicContact OE2-NZ 3.76Å; E100-K102 PolarHBondContact OE2-NZ 2.6Å
101P49.1Very low44.3Very low95 Ų95143.3 Ų143.362%0.61776%0.763SS**  cis-138.7161.2-14.239.2-19.9000118.6
102K42.6Very low44.1Very low150 Ų150143.8 Ų143.865%0.65277%0.765SS**  trans68.3159.5135.6-72.2166.7-173.563.40126E100E100-K102 IonicContact OE1-NZ 2.73Å; E100-K102 PolarHBondContact OE1-NZ 3.02Å; E100-K102 IonicContact OE2-NZ 3.76Å; E100-K102 PolarHBondContact OE2-NZ 2.6Å
103N45.3Very low44.2Very low143 Ų143146.5 Ų146.577%0.76577%0.773SS**  trans85.5140.4158.4-74.12.6000120.5
104T43Very low44Very low114 Ų114148.2 Ų148.270%0.69977%0.773SS**  cis-177.7174.1-31.219.30000110.3
105S46.9Very low44.4Very low109 Ų109148.5 Ų148.576%0.76277%0.774SS**  trans72.3150.1161.7670000119.5
106D42.1Very low44.2Very low150 Ų150148.2 Ų148.280%0.80277%0.773SS**  cis-168.2178.8-31.7-137.1-50.1000112
107E43.8Very low44.2Very low143 Ų143151.7 Ų151.767%0.66878%0.777SS**  trans65.8120.4155.3-72.4-170114.900124.5
108Q42.7Very low44.1Very low155 Ų155153.9 Ų153.972%0.72478%0.778SS**  69.7153129.2-65.3178.117.400121.4
109T44.7Very low44.3Very low113 Ų113153.6 Ų153.669%0.69378%0.779SS**  cis-153.8145.5-11.60000112.7
110E40.6Very low44Very low168 Ų168152.8 Ų152.879%0.78578%0.78SS**  trans20.8131.1134.1-161.9166.9-114.200122.2
111N47Very low44Very low166 Ų166155.3 Ų155.389%0.88879%0.791SS**  trans-167147.5135.4-104.6-68.6000111.7
112E40.4Very low43.9Very low183 Ų183157.1 Ų157.186%0.85580%0.8SS**  trans-97.5159.5-179.3-60171.5112.400112.7
113N47.5Very low44.1Very low162 Ų162158.2 Ų158.287%0.86681%0.808SS**  trans-155.6143.1141.5-164.756.2000111
114E40.2Very low44.2Very low166 Ų166157.8 Ų157.878%0.77681%0.806SS**  trans-99.2-172.2176.1-71.7-163104.800112.6
115E47Very low44.5Very low190 Ų190155.8 Ų155.889%0.88880%0.801SS**  trans73.9136.6-178.5-51.6-170.1121.900114.7
116E44.6Very low44.6Very low187 Ų187157 Ų15787%0.87480%0.799SS**  cis-140.2164.97.3-152.5-177.4166.700111.3
117K41.5Very low45.1Very low195 Ų195154.4 Ų154.485%0.84879%0.788SS**  trans-107.1137.3-170.9-60.6171.7-178.41710113.3
118Q44.9Very low45.7Very low191 Ų191154.4 Ų154.489%0.89379%0.788SS**  trans-157.8153.5132.4-79-139.22.200110.8
119P42Very low46.2Very low117 Ų117149.7 Ų149.776%0.7678%0.776SS**  trans-93.5130.4-167.934.6-33.3000114.7
120L43.1Very low46.7Very low180 Ų180147.2 Ų147.294%0.94277%0.767SS**  trans-113.565.8171.3-100.1167.5000110.8
121Q43.9Very low47.5Very low184 Ų184145.7 Ų145.786%0.8676%0.759SS**  trans-143.589.5177.4-74.5-171.1-25.600111.5
122V47.9Very low48Very low133 Ų133144.8 Ų144.881%0.80675%0.75SS**SBendtrans-143.6-37.8164.9-168.10000111
123E47.3Very low48.8Very low174 Ų174141.2 Ų141.281%0.81373%0.733SS**THydrogen-bonded Turntrans-74.4-29.9-167.1-157.1161.2-169.800114.8A125E123-A125 PolarHBondContact O-N 2.93Å
124N48.1Very low49.4Very low134 Ų134140.8 Ų140.872%0.71772%0.724SS**THydrogen-bonded Turntrans-76-22.1-177.5-72.2-9.8000114.6N126 V127N124-N126 PolarHBondContact O-N 3.21Å; N124-N126 VanDerWaalsContact O-N 3.16Å; N124-V127 PolarHBondContact O-N 2.89Å; N124-V127 VanDerWaalsContact O-N 3.08Å
125A48.6Very low50.3Low72 Ų72140.1 Ų140.160%0.59572%0.718SS**Hα-helixtrans-64.5-21.9-175.600000113.4E123E123-A125 PolarHBondContact O-N 2.93Å
126N49.6Very low50.8Low134 Ų134138.3 Ų138.372%0.71771%0.71SS**Hα-helixtrans-84.1-14.5178.4-161.139000113.3N124N124-N126 PolarHBondContact O-N 3.21Å; N124-N126 VanDerWaalsContact O-N 3.16Å
127V52.3Low51.4Low95 Ų95133.6 Ų133.658%0.57669%0.687SS**Hα-helixtrans-84.7-38.4177.1-175.40000110.6N124 A130 Q131N124-V127 PolarHBondContact O-N 2.89Å; N124-V127 VanDerWaalsContact O-N 3.08Å; V127-A130 PolarHBondContact O-N 2.81Å; V127-Q131 PolarHBondContact O-N 2.71Å; V127-Q131 VanDerWaalsContact O-N 3.14Å
128E55.2Low52.2Low144 Ų144131 Ų13167%0.67368%0.679SS**Hα-helixtrans-65.5-45.6-178.7-159.7159.7-148.100111.3A130 Q131 E132E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 2.99Å; E128-Q131 PolarHBondContact O-N 3.16Å; E128-E132 PolarHBondContact O-N 3.09Å
129A53.3Low52.8Low56 Ų56129.2 Ų129.246%0.46367%0.668SS.*Hα-helixtrans-59.5-40174.300000113.3Q131 E132 E133A129-Q131 PolarHBondContact O-N 3.14Å; A129-E132 PolarHBondContact O-N 2.77Å; A129-E133 PolarHBondContact O-N 2.73Å; A129-E133 VanDerWaalsContact O-N 3.1Å
130A55.7Low53.5Low61 Ų61128.7 Ų128.750%0.50466%0.658SS.*Hα-helixtrans-71.8-16.417700000113.5V127 E128V127-A130 PolarHBondContact O-N 2.81Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 2.99Å
131Q57.6Low54.2Low136 Ų136127.7 Ų127.764%0.63665%0.649SS**Hα-helixtrans-92.9-26173.7-159.517128.500112.1V127 E128 A129V127-Q131 PolarHBondContact O-N 2.71Å; V127-Q131 VanDerWaalsContact O-N 3.14Å; E128-Q131 PolarHBondContact O-N 3.16Å; A129-Q131 PolarHBondContact O-N 3.14Å
132E57.9Low54.7Low146 Ų146126.4 Ų126.468%0.68264%0.643SS**Hα-helixtrans-73.6-43.3173.2-163.9161.1-139.100111.9E128 A129 K134 K135 E136E128-E132 PolarHBondContact O-N 3.09Å; A129-E132 PolarHBondContact O-N 2.77Å; E132-K134 PolarHBondContact O-N 2.73Å; E132-K134 VanDerWaalsContact O-N 3.14Å; E132-K135 PolarHBondContact O-N 3Å; E132-E136 PolarHBondContact O-N 2.83Å
133E56.7Low55.1Low108 Ų108127.8 Ų127.851%0.50564%0.641SS.*Hα-helixtrans-57.5-31.5175.3-164-167.4146.700112.3A129 Q137A129-E133 PolarHBondContact O-N 2.73Å; A129-E133 VanDerWaalsContact O-N 3.1Å; E133-Q137 PolarHBondContact O-N 3.07Å; E133-Q137 PolarHBondContact OE1-NE2 2.83Å
134K60Low55.5Low154 Ų154126.8 Ų126.867%0.6764%0.636SS**Hα-helixtrans-68.2-37.2174.3-82.7-166.4168.9-167.50113.4E132 E136 E138E132-K134 PolarHBondContact O-N 2.73Å; E132-K134 VanDerWaalsContact O-N 3.14Å; K134-E136 VanDerWaalsContact C-N 3.32Å; K134-E138 PolarHBondContact O-N 2.92Å
135K59.4Low55.8Low151 Ų151124.2 Ų124.266%0.65763%0.634SS**Hα-helixtrans-75.1-20.3178.4-86.8-176.6172.11770113.7E132E132-K135 PolarHBondContact O-N 3Å
136E57.5Low55.7Low153 Ų153123.9 Ų123.972%0.71564%0.637SS**Hα-helixtrans-80.8-38.6172.9-160.5167.8-14800111.2E132 K134 E138 K139E132-E136 PolarHBondContact O-N 2.83Å; K134-E136 VanDerWaalsContact C-N 3.32Å; E136-E138 PolarHBondContact O-N 3.16Å; E136-K139 PolarHBondContact O-N 3.38Å
137Q58Low55.7Low87 Ų87124.8 Ų124.841%0.40764%0.637SS.*Hα-helixtrans-65.6-36175-73.1175.732.700113.3E133 K139 D140E133-Q137 PolarHBondContact O-N 3.07Å; E133-Q137 PolarHBondContact OE1-NE2 2.83Å; Q137-K139 PolarHBondContact O-N 3.04Å; Q137-D140 PolarHBondContact O-N 3.08Å
138E56.7Low55.5Low142 Ų142126.6 Ų126.666%0.66465%0.648SS**Hα-helixtrans-67.3-18.1-178.5-164.4168.6-153.100113.8K134 E136K134-E138 PolarHBondContact O-N 2.92Å; E136-E138 PolarHBondContact O-N 3.16Å
139K58.7Low55Low153 Ų153128.4 Ų128.467%0.66566%0.657SS**Hα-helixtrans-91.7-31.2176.4-75.4-172.9170.6-172.10114.6E136 Q137 E141 E142 E143E136-K139 PolarHBondContact O-N 3.38Å; Q137-K139 PolarHBondContact O-N 3.04Å; K139-E141 PolarHBondContact O-N 3.16Å; K139-E142 PolarHBondContact O-N 2.89Å; K139-E143 PolarHBondContact O-N 3.32Å
140D55.5Low55Low105 Ų105133.3 Ų133.356%0.56167%0.667SS**Hα-helixtrans-68.2-19.1-177.1-131.333.1000111.7Q137Q137-D140 PolarHBondContact O-N 3.08Å
141E57.4Low54.6Low160 Ų160136 Ų13675%0.74868%0.68SS**Hα-helixtrans-90.4-32.1174.4-65.4-168.1137.600113.6K139 A145K139-E141 PolarHBondContact O-N 3.16Å; E141-A145 PolarHBondContact O-N 2.94Å
142E55.2Low54.1Low157 Ų157137.9 Ų137.973%0.73469%0.693SS**Hα-helixtrans-68.5-37.6178.4-168175.9-160.500111.7K139 Q144 A145K139-E142 PolarHBondContact O-N 2.89Å; E142-Q144 PolarHBondContact O-N 3.5Å; E142-A145 PolarHBondContact O-N 2.93Å
143E56.2Low53.7Low161 Ų161140.4 Ų140.475%0.75270%0.701SS**Hα-helixtrans-71.3-26.8-178.6-163.4164-136.200113.2K139K139-E143 PolarHBondContact O-N 3.32Å
144Q56.5Low52.9Low153 Ų153140.6 Ų140.672%0.71572%0.715SS**Hα-helixtrans-83.5-17.4176.3-64.4-166.525.800114.1E142E142-Q144 PolarHBondContact O-N 3.5Å
145A54.1Low52.3Low81 Ų81141.9 Ų141.967%0.66972%0.723SS**Hα-helixtrans-75.6-23.7172.700000112.9E141 E142E141-A145 PolarHBondContact O-N 2.94Å; E142-A145 PolarHBondContact O-N 2.93Å
146G46.4Very low51.6Low65 Ų65140.2 Ų140.267%0.6773%0.728SS**SBendtrans-85.2-14.2-168.900000117.4
147E49.2Very low50.7Low152 Ų152142 Ų14271%0.7174%0.736SS**SBendtrans-93.9-5.5-168.2-136.3-167.5157.700115.9
148V48.8Very low50.4Low134 Ų134147 Ų14781%0.81276%0.76SS**SBendtrans-88.3-14.6-168.7-170.60000113.7
149E44.6Very low50.1Low182 Ų182148.8 Ų148.885%0.8577%0.768SS**  trans-109.878.2-172-161.3169.9-135.700114
150K53.2Low49.3Very low158 Ų158147.4 Ų147.469%0.68777%0.774SS**  trans-119.1104.6167.8-77.8170.6-174.61480110.4I152K150-I152 PolarHBondContact O-N 2.67Å
151P46.4Very low48.9Very low119 Ų119151.7 Ų151.777%0.77379%0.791SS**  trans-69.5127.4-177.526.8-33.7000111.6K153P151-K153 PolarHBondContact O-N 2.72Å
152I48.4Very low48.2Very low175 Ų175150.8 Ų150.890%0.89779%0.791SS**  trans-67.5105.8174.8-59.5175.6000108.4K150K150-I152 PolarHBondContact O-N 2.67Å
153K49.2Very low47.7Very low198 Ų198148.7 Ų148.786%0.86179%0.79SS**  trans-84.6121.1-175-155.8172.9-172.5177.70110.3P151P151-K153 PolarHBondContact O-N 2.72Å
154S39.6Very low47Very low113 Ų113146 Ų14679%0.7979%0.789SS**  trans-75.5138.1178.949.70000112.5
155E47.6Very low46.5Very low180 Ų180143.9 Ų143.984%0.84180%0.797SS**  trans-134.1162.3168.5-103.1-154.711700109.9
156P45Very low46.1Very low117 Ų117143.2 Ų143.276%0.7680%0.798SS**  -98.9171.9-124.9-9.729.6000117.9
157E38.3Very low46.4Very low189 Ų189147.9 Ų147.988%0.88380%0.802SS**  trans-72.1125.2174.7-177175.5-152.100112.5
158E52.3Low46.3Very low194 Ų194144.8 Ų144.891%0.90779%0.794SS**  trans-128.6150158.4-86.9-155.3129.800110.3
159E48.7Very low46.6Very low179 Ų179145.9 Ų145.984%0.83679%0.788SS**  trans-76.5151.4-164.2-67.3-172.8121.500115.2
160P42.4Very low47.1Very low124 Ų124145.2 Ų145.281%0.80578%0.782SS**  trans-78.3136.2173.132.2-34.2000112.4
161Q47.5Very low47Very low194 Ų194144.5 Ų144.591%0.90778%0.781SS**  trans-128.9161.7160.9-70.4-159.33.300112.2
162D43.3Very low47Very low141 Ų141144.9 Ų144.975%0.75478%0.781SS**  trans-124.5162.2-146-176.521.9000112.9
163T44Very low46.9Very low114 Ų114144 Ų14470%0.69978%0.779SS**  trans71.1153.317079.70000117.6
164S41.6Very low46.9Very low105 Ų105137.6 Ų137.673%0.73476%0.763SS**  cis-170.6164.7-28.657.40000111.9
165A46.7Very low47.1Very low107 Ų107141.2 Ų141.288%0.88477%0.767SS**  trans72.2150.5152.700000121.4
166G46Very low47.2Very low68 Ų68141.9 Ų141.970%0.70177%0.77SS**  trans123.274.4176.800000113.2
167E51.8Low47.4Very low162 Ų162145.6 Ų145.676%0.75778%0.775SS**  61134.394-75-135.695.300116.4K169E167-K169 IonicContact OE1-NZ 2.67Å; E167-K169 PolarHBondContact OE1-NZ 2.87Å
168T47.6Very low47.8Very low87 Ų87142.8 Ų142.853%0.53477%0.773SS.*  cis-170.5163.6-12.423.50000113.5
169K53.9Low47.5Very low157 Ų157137.9 Ų137.968%0.68377%0.765SS**  trans71.7149151.8-64.4141.4-157.4134.90115E167E167-K169 IonicContact OE1-NZ 2.67Å; E167-K169 PolarHBondContact OE1-NZ 2.87Å
170K55.5Low47.2Very low168 Ų168135.4 Ų135.473%0.7376%0.762SS**  cis-155.716613.5-141.1162.3-176.5-73.10114.2
171E50.6Low47.1Very low144 Ų144136.3 Ų136.367%0.67376%0.759SS**  trans-37.3155.4173.9-54.514510400116.5
172T47.8Very low46.8Very low126 Ų126135.4 Ų135.477%0.77376%0.755SS**  cis-156.8142.146.637.50000111.3
173N45Very low46.6Very low157 Ų157136.6 Ų136.684%0.8476%0.756SS**  61.113192.6-146.643.5000114.7
174A49.3Very low46.4Very low64 Ų64138.9 Ų138.953%0.52976%0.756SS.*  cis-144.215517.100000112
175E45.1Very low46.4Very low189 Ų189143.2 Ų143.288%0.88377%0.765SS**  66.2100.6105-165.5166.4-160.900113.4
176E49.2Very low46.2Very low194 Ų194143.1 Ų143.191%0.90776%0.757SS**  -140177.578.4-168.2167.2-168.700113.7
177K49.8Very low46Very low195 Ų195145.9 Ų145.985%0.84876%0.76SS**  trans-125.8151.6-176.4-91.2-170.9175.3-176.40114.5
178P45.3Very low45.7Very low130 Ų130146 Ų14684%0.84476%0.759SS**  trans-88.8162.1-176.436.9-37.3000114
179A46.7Very low45.6Very low91 Ų91150 Ų15075%0.75277%0.771SS**  trans-152.4130.2171.500000114.3
180V41.4Very low45Very low127 Ų127149.7 Ų149.777%0.7777%0.772SS**  trans58.2103.1137.6-179.30000117.2
181L42Very low44.2Very low142 Ų142144.9 Ų144.974%0.74377%0.77SS**  6512881.1-83.7168.1000115.6
182E41Very low43.7Very low175 Ų175147.1 Ų147.182%0.81878%0.78SS**  trans22.3132.9153.1-58.6-179.6122.300120.5
183H38Very low43.5Very low167 Ų167150.5 Ų150.577%0.77379%0.787SS**  159.1141.393.5-160.5-12.5000110.8
184K40.8Very low43.4Very low161 Ų161150.2 Ų150.270%0.778%0.781SS**  trans79.9102.4165-47.6-180-175179.50117.4
185Q41.9Very low43.2Very low196 Ų196156.6 Ų156.692%0.91680%0.8SS**  -109.1126.4117.9-83.5-174.2-65.700108.5
186S41.2Very low43.3Very low105 Ų105153.6 Ų153.673%0.73478%0.784SS**  trans-125.4118.9169.553.50000106.5
187V42.7Very low43.3Very low126 Ų126152.3 Ų152.376%0.76478%0.775SS**  trans-118.3140.4170.3-178.70000107.2
188K44.5Very low43.1Very low165 Ų165149.8 Ų149.872%0.71777%0.767SS**  trans-147.1110.8-174.5174.6-173.6178.4-74.90107.9E190K188-E190 VanDerWaalsContact NZ-CD 3.33Å; K188-E190 IonicContact NZ-OE1 3.4Å; K188-E190 PolarHBondContact NZ-OE1 3.05Å; K188-E190 IonicContact NZ-OE2 2.75Å; K188-E190 PolarHBondContact NZ-OE2 3.33Å
189E46.5Very low43.1Very low172 Ų172149 Ų14980%0.80476%0.756SS**  trans-164.2113-173.3-161.4158.1-139.300103.7
190E41.1Very low43.2Very low150 Ų150152.3 Ų152.370%0.70176%0.755SS**  cis79117.717.2-149.9164.6-150.200113.3K188K188-E190 VanDerWaalsContact NZ-CD 3.33Å; K188-E190 IonicContact NZ-OE1 3.4Å; K188-E190 PolarHBondContact NZ-OE1 3.05Å; K188-E190 IonicContact NZ-OE2 2.75Å; K188-E190 PolarHBondContact NZ-OE2 3.33Å
191G38.5Very low43.5Very low66 Ų66151 Ų15168%0.6875%0.748SS**  trans98.6119.5-153.400000109.9
192E40.1Very low43.6Very low191 Ų191152.2 Ų152.289%0.89375%0.749SS**  cis63.776.410.1-160.2174.6-162.900114.9
193E43.3Very low44.1Very low197 Ų197152.5 Ų152.592%0.92175%0.751SS**  trans-115.3127.8151.7-80.7-168.6126.600109.8
194E42.7Very low44.5Very low151 Ų151151 Ų15171%0.70674%0.744SS**  trans-82.2130.5158.4-60.2179.192.500108.5K196E194-K196 WeakPolarHBondContact OE1-CE 3.39Å; E194-K196 IonicContact OE1-NZ 2.6Å; E194-K196 PolarHBondContact OE1-NZ 3.38Å; E194-K196 IonicContact OE2-NZ 2.93Å; E194-K196 PolarHBondContact OE2-NZ 2.96Å
195E45.7Very low44.7Very low199 Ų199149 Ų14993%0.9375%0.747SS**  trans-117.9142.4152.1-158.1165.4-148.600110.2
196K46.1Very low45Very low126 Ų126147.4 Ų147.455%0.54874%0.737SS.*  trans-123.9164.9-168-63.9-179.9173.565.80109.8E194E194-K196 WeakPolarHBondContact OE1-CE 3.39Å; E194-K196 IonicContact OE1-NZ 2.6Å; E194-K196 PolarHBondContact OE1-NZ 3.38Å; E194-K196 IonicContact OE2-NZ 2.93Å; E194-K196 PolarHBondContact OE2-NZ 2.96Å
197K49.2Very low45.8Very low166 Ų166151.8 Ų151.872%0.72275%0.746SS**  trans73.1160.9170.5-61.3145.3135.9-74.10113.2
198E46.8Very low45.8Very low143 Ų143152 Ų15267%0.66875%0.748SS**  cis-147.2147.5-8-119.7145.1-175.400105
199N46Very low46.2Very low114 Ų114149.8 Ų149.861%0.6175%0.751SS**  -176151.566.6-124.922.2000109.3
200E47.1Very low46.3Very low159 Ų159147.9 Ų147.974%0.74375%0.751SS**  57.8140.499.6-67.3-165.8125.600116.1
201V47.6Very low46.7Very low101 Ų101146.2 Ų146.261%0.61275%0.753SS**  cis-162.5155.118.398.90000113
202E45.8Very low46.8Very low166 Ų166147.2 Ų147.278%0.77675%0.754SS**  trans53.9155.8156.7-68.8167.4158.200121.9
203E49.6Very low47Very low181 Ų181145 Ų14585%0.84675%0.749SS**  cis-142.7175.4-0.8-138-174165.200113.1
204E46.7Very low47Very low137 Ų137143.4 Ų143.464%0.6474%0.741SS**  trans-96.6-156.7-178.4-124.5-153.6142.100111.4K206E204-K206 IonicContact OE1-NZ 2.9Å; E204-K206 PolarHBondContact OE1-NZ 2.97Å
205P44.8Very low47.4Very low117 Ų117145.2 Ų145.276%0.7675%0.75SS**  cis-131-174.10.535.2-12.5000116.2
206K50.1Low47.2Very low163 Ų163143.2 Ų143.271%0.70975%0.746SS**  trans-101.2150.1178.2-43.6171.4-173.471.50112.1E204E204-K206 IonicContact OE1-NZ 2.9Å; E204-K206 PolarHBondContact OE1-NZ 2.97Å
207E56.7Low47.3Very low198 Ų198146.1 Ų146.193%0.92576%0.761SS**  trans-139.3161.7152.7-76-153.3145.900112.2
208T43.8Very low47.2Very low130 Ų130144.7 Ų144.780%0.79876%0.757SS**  trans-159.5169.7-167.453.20000110.2
209P51.7Low47.1Very low119 Ų119145.2 Ų145.277%0.77376%0.76SS**  cis-131.2-166.2-32.934.8-14.5000113.5
210T49.3Very low47.1Very low131 Ų131149.2 Ų149.280%0.80477%0.771SS**  trans-59.7168.6175.84.40000116
211P49.7Very low47.3Very low116 Ų116151 Ų15175%0.75378%0.78SS**  -157.7172.56144-22.6000121.1
212A41Very low47.1Very low86 Ų86154.6 Ų154.671%0.71179%0.79SS**  trans64.7156.415100000119.6
213D42.6Very low47.6Very low146 Ų146151.1 Ų151.178%0.78178%0.782SS**  cis-160.5175.411.3-138.8-32.9000113.3
214E43.6Very low47.4Very low162 Ų162150.2 Ų150.276%0.75778%0.778SS**  trans45.7124.7159.5-55.9-168.3122.400124
215Q50.7Low47.7Very low190 Ų190151.1 Ų151.189%0.88879%0.787SS**  167.4158.7103.2-82.7-154.5-24.400114.2
216N42.3Very low47.9Very low157 Ų157153.6 Ų153.684%0.8479%0.788SS**  trans-158.2121-172.3163.974.5000113.6
217E49.2Very low47.8Very low186 Ų186152.5 Ų152.587%0.86979%0.785SS**  trans-180155.7167.8-106.2179.9-157.800107.6
218E46.8Very low47.8Very low136 Ų136151 Ų15164%0.63678%0.776SS**  cis-167161.9-19.6-132.4-79.479.900108.6
219Q43.6Very low47.8Very low155 Ų155151.3 Ų151.372%0.72478%0.778SS**  trans65.6137.4169.1-68.3144.14500118.6
220K46.6Very low48.3Very low197 Ų197152.8 Ų152.886%0.85778%0.78SS**  cis97.997.214-167.4-169.8177.3-179.30116.6
221E50.7Low48.1Very low196 Ų196153.6 Ų153.692%0.91677%0.774SS**  trans-157.1151.6149.5-131.9170.4-164.500113
222E43.3Very low48.5Very low178 Ų178154.3 Ų154.383%0.83278%0.776SS**  trans-147.1176.6178.1-122.7-165.5151.500105.8
223P55.9Low48.9Very low93 Ų93157.6 Ų157.660%0.60478%0.775SS**  cis-149.7-172.428.643.7-21.2000117.7
224E45.7Very low49.8Very low162 Ų162158.2 Ų158.276%0.75778%0.778SS**  trans48.6138.2139.1-73.5166.3149.500124.6
225N53Low49.8Very low155 Ų155155.6 Ų155.683%0.82978%0.778SS**  trans170.5102.3135.1-92.9-75.6000107.2
226E49.4Very low49.8Very low170 Ų170150 Ų15079%0.79477%0.772SS**  79.1115.674-80.5-151.8142.500117.8
227E48.1Very low49.7Very low139 Ų139150.6 Ų150.665%0.6577%0.766SS**  trans64.9111.4135.9-135.5-149.5139.400121.9
228K56.6Low49.6Very low166 Ų166146.9 Ų146.972%0.72275%0.753SS**  173.914899.4-93.7-179.1177.363.30115.2
229T45.1Very low49.5Very low138 Ų138147.3 Ų147.385%0.84776%0.755SS**  trans-85.9160.1167.450.20000112.3
230D60.3Low49.6Very low150 Ų150146.8 Ų146.880%0.80275%0.752SS**  trans-142.2135150.7-151.5-7.8000111.6
231E45.6Very low49.3Very low147 Ų147146.3 Ų146.369%0.68775%0.75SS**  trans-99.5133.6169.3-85-156.5119.200108K233E231-K233 IonicContact OE1-NZ 2.69Å; E231-K233 PolarHBondContact OE1-NZ 2.87Å; E231-K233 IonicContact OE2-NZ 2.83Å; E231-K233 PolarHBondContact OE2-NZ 3.35Å
232T58.5Low49.3Very low131 Ų131141.8 Ų141.880%0.80474%0.74SS**  trans-132.597.7163.7-23.10000111.9
233K48.8Very low49.2Very low155 Ų155141.6 Ų141.667%0.67474%0.739SS**  trans-77.8128.5160.5-60.1171.5177.9740107.6E231E231-K233 IonicContact OE1-NZ 2.69Å; E231-K233 PolarHBondContact OE1-NZ 2.87Å; E231-K233 IonicContact OE2-NZ 2.83Å; E231-K233 PolarHBondContact OE2-NZ 3.35Å
234D61.5Low48.1Very low159 Ų159144.8 Ų144.885%0.8575%0.746SS**  trans-132.2148.3154.1-163.88.6000109.6
235S45Very low47.9Very low107 Ų107146.6 Ų146.675%0.74875%0.751SS**  trans-153.693.9-16460.60000111.9
236G49Very low47.1Very low74 Ų74145.1 Ų145.176%0.76374%0.739SS**  trans-138.1115.4166.800000108.6
237K41.8Very low46.4Very low168 Ų168145.1 Ų145.173%0.7374%0.737SS**  cis68.684.732.8-164.5-153.4170.5-70.60113.8
238D46.9Very low45.9Very low109 Ų109144 Ų14458%0.58374%0.739SS**  -167.4135.3117.7-96.8-15.6000109.4
239E44.7Very low44.8Very low145 Ų145143.1 Ų143.168%0.67874%0.742SS**  6113490.1-64.8-156.3130.500114.1
240Q45.5Very low44.3Very low144 Ų144145.3 Ų145.367%0.67374%0.743SS**  cis-150.8134-3.6-106.5168.530.800106.6
241K40.7Very low42.9Very low187 Ų187141.4 Ų141.481%0.81374%0.738SS**  47.8103.692.7-173.7-174.4-176.7176.50114.6
242S50.3Low42.6Very low101 Ų101140.5 Ų140.571%0.70675%0.745SS**  -178.6132.9125.7-81.80000114.3
243Q40.2Very low41.2Very low173 Ų173143.5 Ų143.581%0.80875%0.75SS**  trans64.7115.3149.5-64.6170.43.300118.3
244E33Very low40.7Very low160 Ų160144.8 Ų144.875%0.74876%0.758SS**  cis74.491.835.4-159.8-171.2169.200113.3
245K42.3Very low39.6Very low200 Ų200146.1 Ų146.187%0.8776%0.759SS**  trans-177.191145-101.7158.9-173.71780107.6
246E35.1Very low39.2Very low124 Ų124148.2 Ų148.258%0.57976%0.757SS**  72.9100.557.6-165-167.1-177.700113.4
247K35.4Very low38.6Very low171 Ų171151.2 Ų151.274%0.74376%0.761SS**  trans60.9168.1158.3-57.5164.2-167.7159.50114.4
248V37.6Very low38.4Very low114 Ų114147.5 Ų147.569%0.69176%0.756SS**  cis-127.9135.85.5174.30000105.7
249N33.5Very low38Very low148 Ų148151.9 Ų151.979%0.79177%0.773SS**  cis74.765.530.6-163.481000115.6
250E34.4Very low37.8Very low185 Ų185154 Ų15486%0.86478%0.78SS**  trans-139.6150.3164.1-132.5124.8-120.600111.5
251G30.5Very low37.7Very low67 Ų67152.4 Ų152.469%0.69178%0.782SS**  trans-110.4-145.1-165.800000114.1
252P40Very low37.5Very low129 Ų129148.3 Ų148.384%0.83878%0.783SS**  trans-84.9151.6-165.234.3-36.2000113.7
253Q29.8Very low36.8Very low194 Ų194149.7 Ų149.791%0.90779%0.787SS**  trans-131146.7148.3-79.6-162.1-18.400111.3
254Q38.2Very low37Very low181 Ų181150.9 Ų150.985%0.84679%0.793SS**  trans-94.8144164.6-59166-98.100108.2
255E38.6Very low37.2Very low188 Ų188151.3 Ų151.388%0.87980%0.795SS**  trans-115.9123138.7-67-173.2118.300104.5
256E35.3Very low37.2Very low151 Ų151150.8 Ų150.871%0.70680%0.795SS**  54100.572-63.2-119.287.800109.9
257T37.2Very low37.1Very low136 Ų136153.1 Ų153.183%0.83481%0.806SS**  -157.4139.879.528.10000109.4
258S37.2Very low37.2Very low90 Ų90153.1 Ų153.163%0.62981%0.814SS**  cis71.187.237.7-61.30000114.7
259E39.4Very low37.1Very low202 Ų202150.5 Ų150.594%0.94481%0.81SS**  trans-152.2156.3137.1-125.2179.317000112.7
260K39.2Very low37.4Very low190 Ų190151 Ų15183%0.82681%0.807SS**  trans-161.5-168-166.7-155.7-161.9176.4176.70108.4
261P44.1Very low37.7Very low109 Ų109150.2 Ų150.271%0.70880%0.801SS**  -86.5178.8-87.937.1-25.6000114.1
262A37.3Very low38.2Very low101 Ų101155.1 Ų155.184%0.83581%0.806SS**  trans-141.8145.2149.400000110.6
263V35.6Very low38.7Very low130 Ų130153.5 Ų153.579%0.78880%0.796SS**  trans-130.4135.8172170.40000106.6
264E44.4Very low39.3Very low199 Ų199149.9 Ų149.993%0.9379%0.787SS**  trans-134.7147.8161.1-71.5-166.5130.200109.7
265E36.7Very low39.6Very low169 Ų169148.9 Ų148.979%0.7978%0.78SS**  trans-105.6150.3178.7-59.417384.200110.4
266E42.6Very low39.9Very low188 Ų188146.3 Ų146.388%0.87977%0.768SS**  trans177.6113.3145.9-101.5173.3-177.800106
267Q33.2Very low40.3Very low173 Ų173147.6 Ų147.681%0.80877%0.774SS**  76.813662.8-70.8-156300115.9
268D37.2Very low40.7Very low172 Ų172150 Ų15092%0.9278%0.775SS**  trans58.1151.1178.6-92.2-19.9000118.6
269G34Very low40.9Very low58 Ų58150.9 Ų150.960%0.59878%0.782SS**  cis171.5152.9-600000113
270E39.9Very low41.1Very low158 Ų158148.9 Ų148.974%0.73877%0.773SS**  trans47.8114.5165-60.7-168.395.800121.4
271K41.8Very low41.4Very low170 Ų170147 Ų14774%0.73977%0.765SS**  168.2134.492-107.5133.4-172.1141.10116.2
272E40.5Very low41.4Very low169 Ų169149.5 Ų149.579%0.7977%0.771SS**  trans-86.5-167.6159.3-126.1-158.8-163.400109.7
273P50.6Low41.6Very low96 Ų96148 Ų14862%0.62377%0.766SS**  cis-146.8174.617.339.1-16.1000120
274T41.5Very low41.9Very low117 Ų117148.6 Ų148.672%0.71876%0.764SS**  trans73.8152.1139.648.80000126.2
275K44.8Very low41.9Very low161 Ų161146.5 Ų146.570%0.776%0.759SS**  trans99.1137.1159.1-63.9-177.1161.7-75.10117.2
276E44.9Very low42.3Very low134 Ų134144.4 Ų144.463%0.62676%0.758SS**  cis-158.8143.1-15-113.9153.7-179.500106.8
277E44.3Very low42.7Very low177 Ų177144.3 Ų144.383%0.82776%0.758SS**  44.9143.9103.3-89.8-177.4127.100116.9
278E45.2Very low43.4Very low186 Ų186143.9 Ų143.987%0.86976%0.761SS**  cis-134.818025.9-69.9-179.49000114.8
279S41Very low43.7Very low110 Ų110140.2 Ų140.277%0.76976%0.755SS**  trans-146.1120175.559.80000113.7
280E44.5Very low44.6Very low160 Ų160144 Ų14475%0.74877%0.766SS**  trans-162.2160.2171.5-87.2-136.3122.300111.3
281K46.3Very low45.2Very low151 Ų151142.5 Ų142.566%0.65777%0.768SS**  cis-174.1158.4-36.4-146.3-177.3-101.4151.80109
282L44.1Very low46Very low160 Ų160140.1 Ų140.184%0.83877%0.77SS**  trans69.2149.5162-56162.9000117.8
283G40.8Very low46.5Very low70 Ų70140 Ų14072%0.72277%0.769SS**  trans-172.4-49.7178.300000119.1
284N42.6Very low46.6Very low142 Ų142141.1 Ų141.176%0.75978%0.777SS**  trans62.6118.2177-62.7-0.9000120.1
285N43Very low46.9Very low155 Ų155144.1 Ų144.183%0.82978%0.782SS**  trans36127.9133.9-53.6-1.3000122.6
286V46.3Very low47.2Very low126 Ų126144.6 Ų144.676%0.76479%0.787SS**  -167112.6120.6144.30000104.9
287E49.9Very low47.7Very low186 Ų186143.7 Ų143.787%0.86979%0.793SS**  51.987.790-81.5-168142.200114.9
288D48.3Very low48.1Very low164 Ų164141 Ų14188%0.87779%0.788SS**  trans-145.3155.4135.3-152.2-14.1000109.2
289A44.3Very low48.4Very low95 Ų95139.5 Ų139.579%0.78579%0.787SS**  trans-122.791.2-167.100000112.1
290T52.3Low49.2Very low136 Ų136142.9 Ų142.983%0.83479%0.79SS**  trans-110.3126169.123.40000111
291T51.6Low49.7Very low128 Ų128142.7 Ų142.779%0.78579%0.789SS**  trans-54.4137.3173.2-48.40000110.7E293T291-E293 PolarHBondContact O-N 3.38Å
292P58.8Low50.5Low119 Ų119137.3 Ų137.377%0.77378%0.776SS**  trans-66105.4164.228.3-32.5000108.7
293E51.6Low51.6Low167 Ų167134.7 Ų134.778%0.7877%0.769SS**  trans-55.2137.8164.1-168.3166.9-155.100108.5T291 Q295T291-E293 PolarHBondContact O-N 3.38Å; E293-Q295 PolarHBondContact O-N 3.28Å
294P51.8Low53Low120 Ų120139.7 Ų139.778%0.77977%0.771SS**  trans-63.7107.7-176.925.8-34000109.4E296P294-E296 PolarHBondContact O-N 3.14Å
295Q48.9Very low54.2Low180 Ų180135.7 Ų135.784%0.84175%0.75SS**  trans-63.4121.5175.7-62.3-170.6-83.100108.7E293E293-Q295 PolarHBondContact O-N 3.28Å
296E51.4Low55.5Low170 Ų170134.6 Ų134.679%0.79474%0.743SS**  trans-54.2142.9159.8-63.9-176.6130.100108.5P294 T298P294-E296 PolarHBondContact O-N 3.14Å; E296-T298 PolarHBondContact O-N 3.25Å
297P55.1Low56.7Low115 Ų115134.6 Ų134.675%0.74774%0.738SS**  trans-67.697.5177.928.2-33.6000109.4D299P297-D299 PolarHBondContact O-N 3.18Å; P297-D299 VanDerWaalsContact O-N 3.09Å
298T51.9Low57.7Low120 Ų120130.2 Ų130.274%0.73672%0.72SS**  trans-60.2114179.5-47.50000110.5E296 E300E296-T298 PolarHBondContact O-N 3.25Å; T298-E300 PolarHBondContact O-N 3.43Å
299D52.5Low58.7Low156 Ų156128 Ų12883%0.83470%0.704SS**  trans-68.663.5-174.4-71.9-59.2000114.6P297P297-D299 PolarHBondContact O-N 3.18Å; P297-D299 VanDerWaalsContact O-N 3.09Å
300E57Low60.2Low180 Ų180129.4 Ų129.484%0.84169%0.693SS**  trans-94.94.2166-69.1-138.1138.300113.4T298 G302T298-E300 PolarHBondContact O-N 3.43Å; E300-G302 PolarHBondContact O-N 2.95Å
301E55.3Low61.4Low157 Ų157129.6 Ų129.673%0.73468%0.682SS**SBendtrans-72.166.7164.3-82.9-138.411500111N305E301-N305 PolarHBondContact OE1-ND2 2.95Å; E301-N305 PolarHBondContact OE2-ND2 3.36Å; E301-N305 VanDerWaalsContact OE2-ND2 3.07Å
302G62Low62.6Low37 Ų37130.7 Ų130.738%0.38168%0.676SS.*  trans-67.5-155.5-167.300000116.4E300 K304 N305E300-G302 PolarHBondContact O-N 2.95Å; G302-K304 PolarHBondContact O-N 3.04Å; G302-N305 PolarHBondContact O-N 3.14Å
303P69Low63.5Low106 Ų106129.7 Ų129.769%0.68866%0.661SS**Hα-helixtrans-60.4-9.2-155.521.4-34.2000117L307P303-L307 WeakPolarHBondContact O-CB 3.43Å; P303-L307 PolarHBondContact O-N 3.37Å; P303-L307 VanDerWaalsContact O-N 3.16Å
304K70.1Confident64.5Low174 Ų174127.6 Ų127.676%0.75765%0.652SS**Hα-helixtrans-67.2-40.7170.7-64.5-178.7-179.1178.30112.8G302 L307 L308G302-K304 PolarHBondContact O-N 3.04Å; K304-L307 WeakPolarHBondContact O-CB 3.38Å; K304-L307 PolarHBondContact O-N 2.95Å; K304-L308 PolarHBondContact O-N 2.97Å
305N66.6Low66.1Low58 Ų58127.9 Ų127.931%0.3164%0.642SS.*Hα-helixtrans-74-35.6179.1-88-40.3000112.3E301 G302 L307 L308 H309E301-N305 PolarHBondContact OE1-ND2 2.95Å; E301-N305 PolarHBondContact OE2-ND2 3.36Å; E301-N305 VanDerWaalsContact OE2-ND2 3.07Å; G302-N305 PolarHBondContact O-N 3.14Å; N305-L307 VanDerWaalsContact C-N 3.27Å; N305-L307 PolarHBondContact O-N 3.35Å; N305-L308 PolarHBondContact O-N 3.32Å; N305-L308 VanDerWaalsContact O-N 3.16Å; N305-H309 WeakPolarHBondContact O-CB 3.42Å; N305-H309 PolarHBondContact O-N 3.29Å
306L69.7Low67.8Low133 Ų133123.1 Ų123.170%0.69663%0.628SS**Hα-helixtrans-59.9-39169.7-167.967.4000111.7K310L306-K310 WeakPolarHBondContact O-CB 3.45Å; L306-K310 PolarHBondContact O-N 3.38Å
307L72.1Confident69.6Low125 Ų125122 Ų12265%0.65462%0.617SS**Hα-helixtrans-66.4-39.7172.6-104.2158.4000113.2P303 K304 N305 K311P303-L307 WeakPolarHBondContact O-CB 3.43Å; P303-L307 PolarHBondContact O-N 3.37Å; P303-L307 VanDerWaalsContact O-N 3.16Å; K304-L307 WeakPolarHBondContact O-CB 3.38Å; K304-L307 PolarHBondContact O-N 2.95Å; N305-L307 VanDerWaalsContact C-N 3.27Å; N305-L307 PolarHBondContact O-N 3.35Å; L307-K311 WeakPolarHBondContact O-CB 3.44Å; L307-K311 PolarHBondContact O-N 3.23Å
308L72Confident71.1Confident95 Ų95123.9 Ų123.950%0.49761%0.61SS.*Hα-helixtrans-66-41.3174.9-79.6161.9000112K304 N305 K311 K312K304-L308 PolarHBondContact O-N 2.97Å; N305-L308 PolarHBondContact O-N 3.32Å; N305-L308 VanDerWaalsContact O-N 3.16Å; L308-K311 PolarHBondContact O-N 3.41Å; L308-K312 WeakPolarHBondContact O-CG 3.4Å; L308-K312 PolarHBondContact O-N 3.39Å
309H68.8Low73Confident117 Ų117126.5 Ų126.554%0.54261%0.607SS.*Hα-helixtrans-61.6-49.5175.1-144.2-86.3000110.4N305 K311 K312 E313N305-H309 WeakPolarHBondContact O-CB 3.42Å; N305-H309 PolarHBondContact O-N 3.29Å; H309-K311 VanDerWaalsContact C-N 3.33Å; H309-K311 PolarHBondContact O-N 3.1Å; H309-K312 WeakPolarHBondContact O-CA 3.4Å; H309-K312 WeakPolarHBondContact O-CB 3.35Å; H309-K312 PolarHBondContact O-N 2.93Å; H309-E313 IonicContact CE1-OE1 2.67Å; H309-E313 IonicContact CG-OE1 2.69Å; H309-E313 IonicContact ND1-OE1 2.74Å; H309-E313 PolarHBondContact ND1-OE1 3.22Å; H309-E313 WeakPolarHBondContact O-CG 3.37Å; H309-E313 PolarHBondContact O-N 3.2Å
310K75.1Confident74.8Confident125 Ų125125.5 Ų125.554%0.54359%0.592SS.*Hα-helixtrans-63.4-33.5177.4-155.7165.8-168.1168.90113.5L306 M314L306-K310 WeakPolarHBondContact O-CB 3.45Å; L306-K310 PolarHBondContact O-N 3.38Å; K310-M314 WeakPolarHBondContact O-CG 3.49Å; K310-M314 PolarHBondContact O-N 3.43Å
311K77.6Confident76.5Confident139 Ų139123.5 Ų123.560%0.60458%0.581SS**Hα-helixtrans-71.1-32.8172.7-166.8172-177.5179.30112.2L307 L308 H309 K315L307-K311 WeakPolarHBondContact O-CB 3.44Å; L307-K311 PolarHBondContact O-N 3.23Å; L308-K311 PolarHBondContact O-N 3.41Å; H309-K311 VanDerWaalsContact C-N 3.33Å; H309-K311 PolarHBondContact O-N 3.1Å; K311-K315 PolarHBondContact O-N 3.13Å
312K77.7Confident78.4Confident152 Ų152118.9 Ų118.966%0.66157%0.569SS**Hα-helixtrans-68.5-45.8171-73.9176.4178.5-179.70111.7L308 H309 M314 K315 S316L308-K312 WeakPolarHBondContact O-CG 3.4Å; L308-K312 PolarHBondContact O-N 3.39Å; H309-K312 WeakPolarHBondContact O-CA 3.4Å; H309-K312 WeakPolarHBondContact O-CB 3.35Å; H309-K312 PolarHBondContact O-N 2.93Å; K312-M314 VanDerWaalsContact C-N 3.35Å; K312-M314 PolarHBondContact O-N 3.16Å; K312-K315 PolarHBondContact O-N 3.06Å; K312-K315 VanDerWaalsContact O-N 3.14Å; K312-S316 PolarHBondContact O-N 2.85Å
313E77.1Confident79.9Confident97 Ų97121.4 Ų121.445%0.45357%0.57SS.*Hα-helixtrans-56.1-46.5175-72.2159.1-156.600111.7H309 K315 S316 Y317H309-E313 IonicContact CE1-OE1 2.67Å; H309-E313 IonicContact CG-OE1 2.69Å; H309-E313 IonicContact ND1-OE1 2.74Å; H309-E313 PolarHBondContact ND1-OE1 3.22Å; H309-E313 WeakPolarHBondContact O-CG 3.37Å; H309-E313 PolarHBondContact O-N 3.2Å; E313-K315 VanDerWaalsContact C-N 3.33Å; E313-K315 PolarHBondContact O-N 2.96Å; E313-S316 WeakPolarHBondContact O-CB 3.43Å; E313-S316 PolarHBondContact O-N 2.83Å; E313-Y317 PolarHBondContact O-N 3.14Å
314M73.4Confident81.1Confident123 Ų123122.3 Ų122.361%0.60656%0.56SS**Hα-helixtrans-63.5-33.5176.9-75.4-173.9175.100113.6K310 K312 R318K310-M314 WeakPolarHBondContact O-CG 3.49Å; K310-M314 PolarHBondContact O-N 3.43Å; K312-M314 VanDerWaalsContact C-N 3.35Å; K312-M314 PolarHBondContact O-N 3.16Å; M314-R318 PolarHBondContact O-N 3.43Å
315K84Confident82.3Confident127 Ų127119.5 Ų119.555%0.55255%0.553SS**Hα-helixtrans-66.6-48.7170.5-74.9-163.3174.6-161.50110.8K311 K312 E313 Y317 R318 Y319K311-K315 PolarHBondContact O-N 3.13Å; K312-K315 PolarHBondContact O-N 3.06Å; K312-K315 VanDerWaalsContact O-N 3.14Å; E313-K315 VanDerWaalsContact C-N 3.33Å; E313-K315 PolarHBondContact O-N 2.96Å; K315-Y317 VanDerWaalsContact C-N 3.32Å; K315-Y317 PolarHBondContact O-N 3.24Å; K315-R318 PolarHBondContact O-N 3.21Å; K315-R318 VanDerWaalsContact O-N 3.13Å; K315-Y319 WeakPolarHBondContact O-CD2 3.41Å; K315-Y319 PolarHBondContact O-N 2.59Å; K315-Y319 VanDerWaalsContact O-N 3.16Å
316S85.5Confident83.7Confident79 Ų79120.8 Ų120.855%0.55256%0.556SS**Hα-helixtrans-56-44.1177.9-174.90000112.2K312 E313 R318 Y319 W320K312-S316 PolarHBondContact O-N 2.85Å; E313-S316 WeakPolarHBondContact O-CB 3.43Å; E313-S316 PolarHBondContact O-N 2.83Å; S316-R318 PolarHBondContact O-N 3.15Å; S316-Y319 PolarHBondContact O-N 3.43Å; S316-W320 WeakPolarHBondContact O-CB 3.31Å; S316-W320 PolarHBondContact O-N 3.18Å
317Y88.3Confident84.8Confident146 Ų146117.5 Ų117.557%0.57354%0.538SS*.Hα-helixtrans-65.1-34.8177.5-172.6-110000113.6E313 K315 W320 K321E313-Y317 PolarHBondContact O-N 3.14Å; K315-Y317 VanDerWaalsContact C-N 3.32Å; K315-Y317 PolarHBondContact O-N 3.24Å; Y317-W320 HydrophobicContact CD2-CE3 4.34Å; Y317-W320 HydrophobicContact CE2-CE3 4.17Å; Y317-W320 HydrophobicContact CE2-CZ3 4.36Å; Y317-K321 VanDerWaalsContact O-CB 3.31Å; Y317-K321 WeakPolarHBondContact O-CB 3.49Å; Y317-K321 PolarHBondContact O-N 3.1Å
318R88.2Confident85.8Confident156 Ų156117.3 Ų117.359%0.58954%0.536SS*.Hα-helixtrans-62.6-46172-75.4-173.5-178.3-167.22.1111.1M314 K315 S316 A322M314-R318 PolarHBondContact O-N 3.43Å; K315-R318 PolarHBondContact O-N 3.21Å; K315-R318 VanDerWaalsContact O-N 3.13Å; S316-R318 PolarHBondContact O-N 3.15Å; R318-A322 WeakPolarHBondContact O-CB 3.4Å; R318-A322 PolarHBondContact O-N 3.35Å
319Y90Very high86.9Confident175 Ų175117.6 Ų117.669%0.68654%0.537SS*.Hα-helixtrans-65.2-44.3176.2-70.1-68.8000112.6K315 S316 K321 A322 F323K315-Y319 WeakPolarHBondContact O-CD2 3.41Å; K315-Y319 PolarHBondContact O-N 2.59Å; K315-Y319 VanDerWaalsContact O-N 3.16Å; S316-Y319 PolarHBondContact O-N 3.43Å; Y319-K321 VanDerWaalsContact C-N 3.35Å; Y319-K321 PolarHBondContact O-N 3.01Å; Y319-A322 PolarHBondContact O-N 2.56Å; Y319-F323 WeakPolarHBondContact O-CB 3.48Å; Y319-F323 PolarHBondContact O-N 2.94Å
320W90.7Very high88Confident135 Ų135115 Ų11551%0.51153%0.526SS..Hα-helixtrans-61.2-42.2178.6-169.683.7000111.9S316 Y317 F323 Y324S316-W320 WeakPolarHBondContact O-CB 3.31Å; S316-W320 PolarHBondContact O-N 3.18Å; Y317-W320 HydrophobicContact CD2-CE3 4.34Å; Y317-W320 HydrophobicContact CE2-CE3 4.17Å; Y317-W320 HydrophobicContact CE2-CZ3 4.36Å; W320-F323 PolarHBondContact O-N 3.47Å; W320-Y324 AromaticContact CD2-CD2 3.95Å; W320-Y324 HydrophobicContact CD2-CD2 3.95Å; W320-Y324 HydrophobicContact CD2-CE2 4Å; W320-Y324 AromaticContact CE2-CD2 3.77Å; W320-Y324 AromaticContact CE2-CE2 3.32Å; W320-Y324 HydrophobicContact CE3-CD2 4.28Å; W320-Y324 HydrophobicContact CG-CD2 4.46Å; W320-Y324 HydrophobicContact CH2-CD2 4.3Å; W320-Y324 AromaticContact CH2-CE2 3.91Å; W320-Y324 HydrophobicContact CH2-CE2 3.91Å; W320-Y324 AromaticContact CZ2-CD2 3.98Å; W320-Y324 HydrophobicContact CZ2-CD2 3.98Å; W320-Y324 AromaticContact CZ2-CE2 3.29Å; W320-Y324 HydrophobicContact CZ2-CE2 3.29Å; W320-Y324 AromaticContact CZ2-CZ 3.61Å; W320-Y324 HydrophobicContact CZ3-CD2 4.44Å; W320-Y324 HydrophobicContact CZ3-CE2 4.48Å; W320-Y324 AromaticContact NE1-CE2 3.6Å; W320-Y324 WeakPolarHBondContact O-CD2 3.34Å; W320-Y324 PolarHBondContact O-N 2.9Å
321K93.9Very high88.8Confident138 Ų138114.9 Ų114.960%0.653%0.529SS*.Hα-helixtrans-65.8-39174.7-173.9174-179.6178.70112.7Y317 Y319 L325Y317-K321 VanDerWaalsContact O-CB 3.31Å; Y317-K321 WeakPolarHBondContact O-CB 3.49Å; Y317-K321 PolarHBondContact O-N 3.1Å; Y319-K321 VanDerWaalsContact C-N 3.35Å; Y319-K321 PolarHBondContact O-N 3.01Å; K321-L325 PolarHBondContact O-N 3.4Å; K321-L325 VanDerWaalsContact O-N 3.1Å
322A93.7Very high89.4Confident59 Ų59112.7 Ų112.749%0.48852%0.524SS..Hα-helixtrans-66.8-40.9174.900000111.9R318 Y319 L325 F326R318-A322 WeakPolarHBondContact O-CB 3.4Å; R318-A322 PolarHBondContact O-N 3.35Å; Y319-A322 PolarHBondContact O-N 2.56Å; A322-L325 PolarHBondContact O-N 3.47Å; A322-F326 WeakPolarHBondContact O-CB 3.32Å; A322-F326 PolarHBondContact O-N 3.3Å
323F93.7Very high89.9Confident91 Ų91107.8 Ų107.840%0.39951%0.512SS..Hα-helixtrans-62-46.5174.9179.7-97.7000111.8Y319 W320 L325 F326 I327Y319-F323 WeakPolarHBondContact O-CB 3.48Å; Y319-F323 PolarHBondContact O-N 2.94Å; W320-F323 PolarHBondContact O-N 3.47Å; F323-L325 VanDerWaalsContact C-N 3.32Å; F323-L325 PolarHBondContact O-N 2.9Å; F323-F326 WeakPolarHBondContact O-CB 3.49Å; F323-F326 PolarHBondContact O-N 3.17Å; F323-I327 HydrophobicContact CD1-CG1 4.22Å; F323-I327 HydrophobicContact CE1-CD1 4.4Å; F323-I327 HydrophobicContact CE1-CG1 3.85Å; F323-I327 HydrophobicContact CE2-CD1 4.31Å; F323-I327 HydrophobicContact CE2-CG1 4.37Å; F323-I327 HydrophobicContact CZ-CD1 3.98Å; F323-I327 HydrophobicContact CZ-CG1 3.93Å; F323-I327 WeakPolarHBondContact O-CG1 3.37Å; F323-I327 PolarHBondContact O-N 2.81Å
324Y95.1Very high90.3Very high125 Ų125108.8 Ų108.849%0.4952%0.515SS..Hα-helixtrans-59.1-41.4174.1-98.4-104.7000112.5W320 I327 M328W320-Y324 AromaticContact CD2-CD2 3.95Å; W320-Y324 HydrophobicContact CD2-CD2 3.95Å; W320-Y324 HydrophobicContact CD2-CE2 4Å; W320-Y324 AromaticContact CE2-CD2 3.77Å; W320-Y324 AromaticContact CE2-CE2 3.32Å; W320-Y324 HydrophobicContact CE3-CD2 4.28Å; W320-Y324 HydrophobicContact CG-CD2 4.46Å; W320-Y324 HydrophobicContact CH2-CD2 4.3Å; W320-Y324 AromaticContact CH2-CE2 3.91Å; W320-Y324 HydrophobicContact CH2-CE2 3.91Å; W320-Y324 AromaticContact CZ2-CD2 3.98Å; W320-Y324 HydrophobicContact CZ2-CD2 3.98Å; W320-Y324 AromaticContact CZ2-CE2 3.29Å; W320-Y324 HydrophobicContact CZ2-CE2 3.29Å; W320-Y324 AromaticContact CZ2-CZ 3.61Å; W320-Y324 HydrophobicContact CZ3-CD2 4.44Å; W320-Y324 HydrophobicContact CZ3-CE2 4.48Å; W320-Y324 AromaticContact NE1-CE2 3.6Å; W320-Y324 WeakPolarHBondContact O-CD2 3.34Å; W320-Y324 PolarHBondContact O-N 2.9Å; Y324-I327 PolarHBondContact O-N 3.25Å; Y324-M328 VanDerWaalsContact O-CG 3.32Å; Y324-M328 WeakPolarHBondContact O-CG 3.17Å; Y324-M328 PolarHBondContact O-N 2.94Å
325L95.6Very high90.9Very high114 Ų114108.9 Ų108.960%0.59752%0.518SS*.Hα-helixtrans-65.1-39.3176.2-166.669.9000111.9K321 A322 F323 M328 I329K321-L325 PolarHBondContact O-N 3.4Å; K321-L325 VanDerWaalsContact O-N 3.1Å; A322-L325 PolarHBondContact O-N 3.47Å; F323-L325 VanDerWaalsContact C-N 3.32Å; F323-L325 PolarHBondContact O-N 2.9Å; L325-M328 PolarHBondContact O-N 3.46Å; L325-I329 HydrophobicContact CG-CD1 4.2Å; L325-I329 WeakPolarHBondContact O-CD1 3.41Å; L325-I329 VanDerWaalsContact O-CG1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.48Å; L325-I329 PolarHBondContact O-N 2.99Å
326F94.5Very high90.1Very high85 Ų85109.1 Ų109.137%0.37352%0.521SS..Hα-helixtrans-63.7-44.1174.8176.5-108.7000112.3A322 F323 I329 L330 F567A322-F326 WeakPolarHBondContact O-CB 3.32Å; A322-F326 PolarHBondContact O-N 3.3Å; F323-F326 WeakPolarHBondContact O-CB 3.49Å; F323-F326 PolarHBondContact O-N 3.17Å; F326-I329 PolarHBondContact O-N 2.92Å; F326-L330 HydrophobicContact CD1-CD1 4.08Å; F326-L330 HydrophobicContact CE1-CD1 3.57Å; F326-L330 HydrophobicContact CE1-CG 4.35Å; F326-L330 HydrophobicContact CE2-CD1 4.4Å; F326-L330 HydrophobicContact CE2-CG 4.4Å; F326-L330 HydrophobicContact CZ-CD1 3.75Å; F326-L330 HydrophobicContact CZ-CD2 4.46Å; F326-L330 HydrophobicContact CZ-CG 4.21Å; F326-L330 WeakPolarHBondContact O-CG 3.41Å; F326-L330 PolarHBondContact O-N 3.27Å; F326-F567 HydrophobicContact CE1-CE2 4.44Å; F326-F567 HydrophobicContact CE1-CZ 4.36Å
327I93.8Very high89.2Confident65 Ų65113.6 Ų113.633%0.33353%0.53SS..Hα-helixtrans-62.8-41.9174.7-63.9-60.8000111.3F323 Y324 I329 L330 M331F323-I327 HydrophobicContact CD1-CG1 4.22Å; F323-I327 HydrophobicContact CE1-CD1 4.4Å; F323-I327 HydrophobicContact CE1-CG1 3.85Å; F323-I327 HydrophobicContact CE2-CD1 4.31Å; F323-I327 HydrophobicContact CE2-CG1 4.37Å; F323-I327 HydrophobicContact CZ-CD1 3.98Å; F323-I327 HydrophobicContact CZ-CG1 3.93Å; F323-I327 WeakPolarHBondContact O-CG1 3.37Å; F323-I327 PolarHBondContact O-N 2.81Å; Y324-I327 PolarHBondContact O-N 3.25Å; I327-I329 PolarHBondContact O-N 3.26Å; I327-L330 HydrophobicContact CD1-CD1 4.49Å; I327-L330 PolarHBondContact O-N 3.4Å; I327-M331 HydrophobicContact CG2-CG 4.46Å; I327-M331 HydrophobicContact CG2-SD 4.25Å; I327-M331 WeakPolarHBondContact O-CG 3.41Å; I327-M331 PolarHBondContact O-N 3.41Å
328M93.7Very high87.9Confident121 Ų121114.8 Ų114.860%0.59654%0.541SS*.Hα-helixtrans-60.7-42.6174.8-73-64.9-59.400112.3Y324 L325 M331 D332Y324-M328 VanDerWaalsContact O-CG 3.32Å; Y324-M328 WeakPolarHBondContact O-CG 3.17Å; Y324-M328 PolarHBondContact O-N 2.94Å; L325-M328 PolarHBondContact O-N 3.46Å; M328-M331 PolarHBondContact O-N 3.25Å; M328-D332 WeakPolarHBondContact O-CB 3.46Å; M328-D332 PolarHBondContact O-N 2.81Å
329I94.1Very high86.6Confident101 Ų101116.5 Ų116.552%0.51855%0.553SS.*Hα-helixtrans-65.3-38.7176.4-69.1163.1000111.2L325 F326 I327 A333L325-I329 HydrophobicContact CG-CD1 4.2Å; L325-I329 WeakPolarHBondContact O-CD1 3.41Å; L325-I329 VanDerWaalsContact O-CG1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.48Å; L325-I329 PolarHBondContact O-N 2.99Å; F326-I329 PolarHBondContact O-N 2.92Å; I327-I329 PolarHBondContact O-N 3.26Å; I329-A333 VanDerWaalsContact O-CB 3.25Å; I329-A333 WeakPolarHBondContact O-CB 3.46Å; I329-A333 PolarHBondContact O-N 3.43Å
330L93.1Very high85.2Confident62 Ų62113.1 Ų113.133%0.32555%0.552SS.*Hα-helixtrans-64.8-44.2173.9-73.3178.8000111.8F326 I327 A333 F334F326-L330 HydrophobicContact CD1-CD1 4.08Å; F326-L330 HydrophobicContact CE1-CD1 3.57Å; F326-L330 HydrophobicContact CE1-CG 4.35Å; F326-L330 HydrophobicContact CE2-CD1 4.4Å; F326-L330 HydrophobicContact CE2-CG 4.4Å; F326-L330 HydrophobicContact CZ-CD1 3.75Å; F326-L330 HydrophobicContact CZ-CD2 4.46Å; F326-L330 HydrophobicContact CZ-CG 4.21Å; F326-L330 WeakPolarHBondContact O-CG 3.41Å; F326-L330 PolarHBondContact O-N 3.27Å; I327-L330 HydrophobicContact CD1-CD1 4.49Å; I327-L330 PolarHBondContact O-N 3.4Å; L330-A333 PolarHBondContact O-N 3.31Å; L330-F334 WeakPolarHBondContact O-CD2 3.49Å; L330-F334 PolarHBondContact O-N 3.34Å
331M90.4Very high83.7Confident123 Ų123116.3 Ų116.361%0.60657%0.573SS**Hα-helixtrans-61.7-46.7178.6-73.2-177.26900111.8I327 M328 A333 F334 D335I327-M331 HydrophobicContact CG2-CG 4.46Å; I327-M331 HydrophobicContact CG2-SD 4.25Å; I327-M331 WeakPolarHBondContact O-CG 3.41Å; I327-M331 PolarHBondContact O-N 3.41Å; M328-M331 PolarHBondContact O-N 3.25Å; M331-A333 PolarHBondContact O-N 3.46Å; M331-F334 PolarHBondContact O-N 3.5Å; M331-D335 PolarHBondContact O-N 3.22Å
332D91.2Very high82Confident92 Ų92117.2 Ų117.249%0.49258%0.584SS.*Hα-helixtrans-57-47.7173.3-176.171.6000111.1M328 F334 D335 H336M328-D332 WeakPolarHBondContact O-CB 3.46Å; M328-D332 PolarHBondContact O-N 2.81Å; D332-F334 VanDerWaalsContact C-N 3.25Å; D332-F334 PolarHBondContact O-N 2.84Å; D332-D335 PolarHBondContact O-N 3.19Å; D332-H336 PolarHBondContact O-CD2 3Å; D332-H336 PolarHBondContact O-N 3.19Å; D332-H336 IonicContact OD1-CD2 3.19Å; D332-H336 IonicContact OD1-CE1 3.63Å; D332-H336 IonicContact OD1-NE2 2.73Å; D332-H336 PolarHBondContact OD1-NE2 3.31Å; D332-H336 IonicContact OD2-CD2 2.75Å; D332-H336 PolarHBondContact OD2-CD2 3.25Å; D332-H336 IonicContact OD2-NE2 3.79Å; D332-H336 PolarHBondContact OD2-NE2 3.29Å
333A88.8Confident80.1Confident50 Ų50117.6 Ų117.641%0.41359%0.594SS.*Hα-helixtrans-66.1-19.2178.200000115.2I329 L330 M331I329-A333 VanDerWaalsContact O-CB 3.25Å; I329-A333 WeakPolarHBondContact O-CB 3.46Å; I329-A333 PolarHBondContact O-N 3.43Å; L330-A333 PolarHBondContact O-N 3.31Å; M331-A333 PolarHBondContact O-N 3.46Å
334F83.9Confident78Confident118 Ų118121.5 Ų121.552%0.51861%0.613SS.*Hα-helixtrans-86.3-41.3170.1-78.3-63.4000112L330 M331 D332 H336 K337 F560L330-F334 WeakPolarHBondContact O-CD2 3.49Å; L330-F334 PolarHBondContact O-N 3.34Å; M331-F334 PolarHBondContact O-N 3.5Å; D332-F334 VanDerWaalsContact C-N 3.25Å; D332-F334 PolarHBondContact O-N 2.84Å; F334-H336 VanDerWaalsContact C-N 3.32Å; F334-H336 PolarHBondContact O-N 3.38Å; F334-K337 PolarHBondContact O-N 2.99Å; F334-F560 HydrophobicContact CE2-CZ 4.08Å; F334-F560 HydrophobicContact CZ-CZ 4.06Å
335D85.9Confident76.1Confident124 Ų124122.5 Ų122.566%0.66362%0.622SS**Hα-helixtrans-60.8-40178.9-160.640.9000111.4M331 D332 K337 E338M331-D335 PolarHBondContact O-N 3.22Å; D332-D335 PolarHBondContact O-N 3.19Å; D335-K337 PolarHBondContact O-N 3.15Å; D335-E338 PolarHBondContact O-N 3.41Å
336H68.4Low74Confident132 Ų132123.5 Ų123.561%0.61162%0.624SS**THydrogen-bonded Turntrans-66.7-3.5173.7-65.2-51.1000115D332 F334D332-H336 PolarHBondContact O-CD2 3Å; D332-H336 PolarHBondContact O-N 3.19Å; D332-H336 IonicContact OD1-CD2 3.19Å; D332-H336 IonicContact OD1-CE1 3.63Å; D332-H336 IonicContact OD1-NE2 2.73Å; D332-H336 PolarHBondContact OD1-NE2 3.31Å; D332-H336 IonicContact OD2-CD2 2.75Å; D332-H336 PolarHBondContact OD2-CD2 3.25Å; D332-H336 IonicContact OD2-NE2 3.79Å; D332-H336 PolarHBondContact OD2-NE2 3.29Å; F334-H336 VanDerWaalsContact C-N 3.32Å; F334-H336 PolarHBondContact O-N 3.38Å
337K65.9Low72.3Confident174 Ų174127.8 Ų127.876%0.75764%0.637SS**THydrogen-bonded Turntrans-107.8-8.9179.1-74.1-159172.8-163.70115.5F334 D335 K339F334-K337 PolarHBondContact O-N 2.99Å; D335-K337 PolarHBondContact O-N 3.15Å; K337-K339 VanDerWaalsContact C-N 3.28Å; K337-K339 PolarHBondContact O-N 3.05Å
338E61.9Low70.7Confident171 Ų171131.8 Ų131.880%0.79966%0.655SS**  trans-93.432.7-176.4-150.8166.3-122.200114.1D335 P340D335-E338 PolarHBondContact O-N 3.41Å; E338-P340 WeakPolarHBondContact O-CD 3.47Å
339K60.9Low68.9Low192 Ų192133 Ų13384%0.83566%0.664SS**  trans-110.493.4159.7-73.9-176.4-178.11730109.8K337 E341K337-K339 VanDerWaalsContact C-N 3.28Å; K337-K339 PolarHBondContact O-N 3.05Å; K339-E341 PolarHBondContact O-N 3.41Å
340P60.3Low66.9Low103 Ų103136.3 Ų136.367%0.66968%0.677SS**  trans-54.8135.7153.526.5-33.8000108.4E338 D342E338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-D342 PolarHBondContact O-N 3.21Å
341E58.4Low65Low202 Ų202137.5 Ų137.594%0.94469%0.69SS**  trans-78.267.8178.1-165.2161.7-142.100109.1K339 G343K339-E341 PolarHBondContact O-N 3.41Å; E341-G343 PolarHBondContact O-N 2.99Å; E341-G343 VanDerWaalsContact O-N 3.13Å
342D58.5Low63.1Low158 Ų158135.7 Ų135.785%0.84570%0.704SS**  trans-80.593.3-168.3-166.721.6000111.1P340P340-D342 PolarHBondContact O-N 3.21Å
343G53.7Low61.3Low67 Ų67137.7 Ų137.769%0.69172%0.719SS**  trans12270.6159.700000117.4E341E341-G343 PolarHBondContact O-N 2.99Å; E341-G343 VanDerWaalsContact O-N 3.13Å
344E50.4Low59.7Low172 Ų172142.6 Ų142.680%0.80473%0.734SS**  trans-139.871.4142.5-156.5159-122.800111.5H346E344-H346 PolarHBondContact O-N 3.23Å
345E53.9Low58.4Low146 Ų146145.2 Ų145.268%0.68275%0.745SS**  trans-65.384.5164-90.5-145.7129.500109.7R347E345-R347 PolarHBondContact O-N 2.95Å; E345-R347 IonicContact OE1-CZ 3.66Å; E345-R347 IonicContact OE1-NE 2.59Å; E345-R347 PolarHBondContact OE1-NE 3.44Å; E345-R347 IonicContact OE1-NH2 3.55Å; E345-R347 PolarHBondContact OE1-NH2 2.98Å; E345-R347 IonicContact OE2-NE 2.72Å; E345-R347 PolarHBondContact OE2-NE 3.28Å
346H53Low57.1Low135 Ų135148 Ų14863%0.62575%0.751SS**  trans-75.656.2173.3-141.3-82.4000111.3E344 E348E344-H346 PolarHBondContact O-N 3.23Å; H346-E348 IonicContact CE1-OE1 3.43Å; H346-E348 IonicContact ND1-OE1 2.56Å; H346-E348 PolarHBondContact O-N 3.29Å
347R58.5Low56.6Low175 Ų175149.3 Ų149.366%0.6676%0.758SS**  trans-73.690173.2-71.3-163.3-167.8-141.53.1109.9E345 N349E345-R347 PolarHBondContact O-N 2.95Å; E345-R347 IonicContact OE1-CZ 3.66Å; E345-R347 IonicContact OE1-NE 2.59Å; E345-R347 PolarHBondContact OE1-NE 3.44Å; E345-R347 IonicContact OE1-NH2 3.55Å; E345-R347 PolarHBondContact OE1-NH2 2.98Å; E345-R347 IonicContact OE2-NE 2.72Å; E345-R347 PolarHBondContact OE2-NE 3.28Å; R347-N349 PolarHBondContact O-N 3.06Å; R347-N349 PolarHBondContact O-ND2 2.99Å
348E59Low56Low149 Ų149149.3 Ų149.370%0.69677%0.766SS**  trans-64.879.2172.1-65-176.1161.700111.5H346 E350H346-E348 IonicContact CE1-OE1 3.43Å; H346-E348 IonicContact ND1-OE1 2.56Å; H346-E348 PolarHBondContact O-N 3.29Å; E348-E350 PolarHBondContact O-N 3.12Å
349N56.7Low55.6Low147 Ų147144.7 Ų144.779%0.78676%0.764SS**  trans-75.270.3169.2-70.3-65.2000109.6R347 S351R347-N349 PolarHBondContact O-N 3.06Å; R347-N349 PolarHBondContact O-ND2 2.99Å; N349-S351 PolarHBondContact O-N 3.04Å
350E53.1Low55.1Low170 Ų170144.2 Ų144.279%0.79477%0.765SS**  trans-61.2108.7-179.6-85.3-151.9122.600112.7E348E348-E350 PolarHBondContact O-N 3.12Å
351S51.8Low54.8Low87 Ų87145.8 Ų145.861%0.60877%0.773SS**  trans47.897.9150.164.50000118.1N349N349-S351 PolarHBondContact O-N 3.04Å
352G50.4Low54.6Low86 Ų86142.8 Ų142.889%0.88776%0.763SS**  trans-63.6133.9146.500000110.1
353T54.3Low54.5Low134 Ų134139.6 Ų139.682%0.82275%0.754SS**  trans-119.7154.5167.344.80000110.7
354E55.7Low54.4Low153 Ų153145.6 Ų145.672%0.71576%0.763SS**  trans-82.2147.3-157.4-63-168.591.300115.8
355K55.1Low54.3Low172 Ų172147 Ų14775%0.74877%0.767SS**  trans29126.5134.6-54.3161.6-171.9152.20117.3
356K60.3Low54.3Low182 Ų182145.2 Ų145.279%0.79177%0.768SS**  -165.3140.4111.5-109.3167.1178.2177.90116.7
357E57.5Low54.1Low161 Ų161146.2 Ų146.275%0.75278%0.778SS**  trans54.3122145-72.3166.4115.400120.6
358D52Low53.7Low173 Ų173144.9 Ų144.993%0.92578%0.779SS**  trans-61.4150.1169.1-46.5-99.9000112.9
359G54.9Low53.2Low75 Ų75145.6 Ų145.677%0.77378%0.783SS**  trans-167.883.3177.300000112.4
360E50.6Low52.6Low182 Ų182143.6 Ų143.685%0.8578%0.776SS**  trans-66.5163.9174.6-81.9-167.19800113.4
361T53.3Low52.4Low135 Ų135143.5 Ų143.583%0.82878%0.775SS**  trans74.1149.3170.672.50000117.2
362D53.5Low52Low140 Ų140146.2 Ų146.275%0.74979%0.789SS**  cis-176.3167.3-28.7173.445.9000106.1
363S57.5Low51.8Low91 Ų91147.7 Ų147.764%0.63678%0.783SS**  trans77.6136.4156-84.80000119.7
364Q50.6Low51.5Low192 Ų192145.8 Ų145.890%0.89778%0.78SS**  trans78.981159.7-63.8-178.8-1.700120.1
365K48.5Very low51.1Low201 Ų201145.5 Ų145.587%0.87478%0.782SS**  trans-71.9177.8134.4-66-177.4175.4-178.50110.4
366P53.6Low50.5Low109 Ų109145.7 Ų145.771%0.70879%0.788SS**  -133.6178.4-54.339.9-24.9000111.6
367D48.7Very low49.7Very low157 Ų157142.7 Ų142.784%0.8479%0.785SS**  trans177.1160.3153.8-92.1-22.9000106.5
368E50.1Low49Very low147 Ų147145.2 Ų145.269%0.68779%0.789SS**  cis-166.5168.9-35.1-160-165.2-143.200104.5
369Q48.3Very low49.4Very low164 Ų164142.4 Ų142.477%0.76678%0.78SS**  trans71.6148.5169.8-59.8173.335.200116.6
370T44Very low49.3Very low104 Ų104143.7 Ų143.764%0.63878%0.775SS**  cis-158146.4-11.7-102.30000111.6
371E49.5Very low48.8Very low169 Ų169143.4 Ų143.479%0.7978%0.778SS**  trans17.5119.4159.3-57.1174.4140.200121.6
372T44.2Very low48.4Very low144 Ų144142.3 Ų142.388%0.88377%0.772SS**  -169.3139.4114.27.50000112.9
373P44.5Very low47.9Very low117 Ų117143.4 Ų143.476%0.7678%0.778SS**  trans-106.5123.8170.935.4-27.7000113.5
374A49.1Very low47.2Very low94 Ų94146.2 Ų146.278%0.77779%0.785SS**  trans-134.5121.9159.900000106.4
375I46.6Very low46.5Very low147 Ų147142.6 Ų142.675%0.75478%0.78SS**  67.4123.651.7-52.8174.4000110.9
376M43.7Very low46.3Very low176 Ų176139.9 Ų139.987%0.86777%0.774SS**  trans74.9129.8-169.5-57.6-160.4179.800113.5
377T43.2Very low45.8Very low118 Ų118142.8 Ų142.872%0.72478%0.784SS**  cis-148.4146.51.7-87.80000110.5
378Y43.5Very low45.8Very low214 Ų214141.2 Ų141.284%0.83977%0.774SS**PPolyproline II helixtrans-70.5130.9167.7-78.1-99.9000110.2
379P59.7Low45.7Very low114 Ų114143.6 Ų143.674%0.7478%0.782SS**PPolyproline II helixtrans-65.2136.3157.330.2-32000108.5
380P51.5Low45.7Very low103 Ų103142.7 Ų142.767%0.66978%0.782SS**PPolyproline II helixtrans-70.2149.6173.330.7-34.3000110.6T382P380-T382 HydrophobicContact CB-CG2 4.38Å; P380-T382 HydrophobicContact CG-CG2 4.3Å; P380-T382 PolarHBondContact O-N 3.39Å
381L41.3Very low45.9Very low176 Ų176143.6 Ų143.692%0.92179%0.79SS**PPolyproline II helixtrans-64.6119.2155.9-70.5157.2000107.5
382T44.8Very low45.7Very low112 Ų112144.4 Ų144.469%0.68779%0.793SS**  trans-141.5121.5165.8530000107.7P380P380-T382 HydrophobicContact CB-CG2 4.38Å; P380-T382 HydrophobicContact CG-CG2 4.3Å; P380-T382 PolarHBondContact O-N 3.39Å
383D43.9Very low45.7Very low163 Ų163143.3 Ų143.387%0.87279%0.791SS**  trans-67.1132.4-168-50.8-84.1000112.2
384N41.1Very low45.3Very low149 Ų149141.3 Ų141.380%0.79779%0.792SS**  trans-75.6147.4168.4-93.7-24.7000109.7
385C36.4Very low45Very low116 Ų116146.4 Ų146.478%0.78480%0.8SS**  trans55.3105164.3-55.50000114.9
386L45.3Very low44.6Very low144 Ų144146.2 Ų146.275%0.75481%0.806SS**  -157.2125.656.9-85.4162.8000111.7I388L386-I388 HydrophobicContact CB-CD1 4.3Å; L386-I388 HydrophobicContact CB-CG1 4.22Å; L386-I388 HydrophobicContact CD1-CD1 4.1Å; L386-I388 HydrophobicContact CD2-CD1 4.27Å; L386-I388 HydrophobicContact CD2-CG1 4.4Å; L386-I388 HydrophobicContact CG-CD1 4.47Å; L386-I388 PolarHBondContact O-N 2.86Å
387N43Very low44.6Very low171 Ų171147 Ų14791%0.91481%0.807SS**  trans-84.150.4173.8-113.2-45.6000111.9K389N387-K389 PolarHBondContact O-N 3.37Å
388I48.7Very low44.6Very low124 Ų124151.1 Ų151.164%0.63682%0.815SS**  trans-78108.5174.5-65.7173.2000108.5L386 L390L386-I388 HydrophobicContact CB-CD1 4.3Å; L386-I388 HydrophobicContact CB-CG1 4.22Å; L386-I388 HydrophobicContact CD1-CD1 4.1Å; L386-I388 HydrophobicContact CD2-CD1 4.27Å; L386-I388 HydrophobicContact CD2-CG1 4.4Å; L386-I388 HydrophobicContact CG-CD1 4.47Å; L386-I388 PolarHBondContact O-N 2.86Å; I388-L390 PolarHBondContact O-N 3.1Å
389K46.8Very low44.7Very low196 Ų196152.5 Ų152.585%0.85282%0.819SS**  trans-71.292.5172-76.4-179.6175.3176.10110.2N387 P391N387-K389 PolarHBondContact O-N 3.37Å; K389-P391 WeakPolarHBondContact O-CD 3.47Å
390L48.9Very low43.8Very low146 Ų146152.4 Ų152.476%0.76482%0.821SS**  trans-57.5120.8158.2-81160000109I388 Q392I388-L390 PolarHBondContact O-N 3.1Å; L390-Q392 VanDerWaalsContact C-N 3.35Å; L390-Q392 PolarHBondContact O-N 3.47Å
391P49Very low43.8Very low123 Ų123153.3 Ų153.380%0.79983%0.827SS**  trans-75.789.5172.430.9-32000108.6K389 S393K389-P391 WeakPolarHBondContact O-CD 3.47Å; P391-S393 PolarHBondContact O-N 2.93Å
392Q45.3Very low44Very low186 Ų186153.7 Ų153.787%0.86982%0.824SS**  trans-62.8136.8173-80.4-169-32.200110.6L390L390-Q392 VanDerWaalsContact C-N 3.35Å; L390-Q392 PolarHBondContact O-N 3.47Å
393S43.2Very low43.9Very low120 Ų120155.4 Ų155.484%0.83982%0.824SS**  trans-68.3145.4-172.453.50000113.5P391P391-S393 PolarHBondContact O-N 2.93Å
394G37.7Very low43.8Very low75 Ų75156.8 Ų156.877%0.77383%0.825SS**  trans108.875.6148.500000116.5
395E42Very low44.3Very low201 Ų201156.6 Ų156.694%0.93982%0.817SS**  trans-144.9125142-127.4168.5-16600110.4
396T38.3Very low45.6Very low143 Ų143156.5 Ų156.588%0.87782%0.815SS**  trans-100.2108.6-17552.80000110.7
397E42.9Very low46Very low192 Ų192155.1 Ų155.190%0.89782%0.815SS**  trans-117.7137165.4-160.8175.9171.800111.8R399E397-R399 PolarHBondContact O-N 2.85Å
398K44Very low45.9Very low206 Ų206156.9 Ų156.990%0.89681%0.809SS**  trans-87.7111.3-168.8-61.2174.8-176.7176.10110.8
399R45.4Very low46.1Very low242 Ų242157.6 Ų157.691%0.91382%0.818SS**  trans-117.2138.3155.1-83-172.8170.7174.9-1.1110.6E397E397-R399 PolarHBondContact O-N 2.85Å
400S41.2Very low45.7Very low112 Ų112153.6 Ų153.678%0.78381%0.806SS**  trans-69.4136.7-176.8-167.40000110.7E402S400-E402 PolarHBondContact O-N 3.13Å
401P51.1Low45.4Very low122 Ų122154.4 Ų154.479%0.79281%0.811SS**  trans-70.1113.6163.829.1-31.5000109.1E403P401-E403 PolarHBondContact O-N 3.45Å
402E46.3Very low44.7Very low184 Ų184153.9 Ų153.986%0.8681%0.81SS**  trans-86.486.4178.4-171.5175.4134.200110.7S400 E404S400-E402 PolarHBondContact O-N 3.13Å; E402-E404 VanDerWaalsContact C-N 3.28Å; E402-E404 PolarHBondContact O-N 3.48Å
403E41Very low44.5Very low149 Ų149152.4 Ų152.470%0.69681%0.807SS**  trans34.340.9156.9-147.4-165125.500118.9P401 K405P401-E403 PolarHBondContact O-N 3.45Å; E403-K405 PolarHBondContact O-N 3.38Å; E403-K405 VanDerWaalsContact O-N 3.15Å; E403-K405 WeakPolarHBondContact OE1-CE 3.27Å; E403-K405 IonicContact OE1-NZ 3.68Å; E403-K405 PolarHBondContact OE1-NZ 3.49Å
404E42.7Very low44.4Very low192 Ų192158.6 Ų158.690%0.89781%0.812SS**  trans-73.8109178.9-167.9164.6-162.100110.7E402E402-E404 VanDerWaalsContact C-N 3.28Å; E402-E404 PolarHBondContact O-N 3.48Å
405K52.3Low44.8Very low145 Ų145162 Ų16263%0.6381%0.811SS**PPolyproline II helixtrans-76.1134.7-173.3-65.4170.4-179.661.40110.5E403E403-K405 PolarHBondContact O-N 3.38Å; E403-K405 VanDerWaalsContact O-N 3.15Å; E403-K405 WeakPolarHBondContact OE1-CE 3.27Å; E403-K405 IonicContact OE1-NZ 3.68Å; E403-K405 PolarHBondContact OE1-NZ 3.49Å
406P62.3Low45.4Very low113 Ų113161.3 Ų161.373%0.73481%0.805SS**PPolyproline II helixtrans-60.5147.8169.627.1-34.2000110.6R408P406-R408 PolarHBondContact O-N 2.85Å
407P55.3Low46Very low115 Ų115162.5 Ų162.575%0.74781%0.805SS**PPolyproline II helixtrans-64.1122.4-171.824.4-34000111.7V409P407-V409 PolarHBondContact O-N 3.43Å
408R40.4Very low46.7Very low209 Ų209159.1 Ų159.179%0.78980%0.8SS**  trans-73.283.5179.9-173.9-176.3179.9130.79.1111.1P406 D410P406-R408 PolarHBondContact O-N 2.85Å; R408-D410 WeakPolarHBondContact CD-OD2 3.36Å; R408-D410 WeakPolarHBondContact CG-OD2 3.24Å; R408-D410 IonicContact CZ-OD2 3.77Å; R408-D410 IonicContact NE-OD2 3.63Å; R408-D410 PolarHBondContact NE-OD2 2.74Å; R408-D410 IonicContact NH2-OD2 3.46Å; R408-D410 PolarHBondContact O-N 2.85Å
409V51.6Low46.8Very low138 Ų138157.6 Ų157.684%0.83680%0.795SS**  trans-74.773.8169.1-88.30000111P407 N411P407-V409 PolarHBondContact O-N 3.43Å; V409-N411 PolarHBondContact O-N 2.69Å; V409-N411 VanDerWaalsContact O-N 3.14Å
410D39.2Very low46.7Very low113 Ų113153.2 Ų153.260%0.60479%0.79SS**  trans-62.6106.1161-85.6-61.5000109.1R408R408-D410 WeakPolarHBondContact CD-OD2 3.36Å; R408-D410 WeakPolarHBondContact CG-OD2 3.24Å; R408-D410 IonicContact CZ-OD2 3.77Å; R408-D410 IonicContact NE-OD2 3.63Å; R408-D410 PolarHBondContact NE-OD2 2.74Å; R408-D410 IonicContact NH2-OD2 3.46Å; R408-D410 PolarHBondContact O-N 2.85Å
411N41.8Very low46.8Very low162 Ų162151.4 Ų151.487%0.86679%0.789SS**  trans-145.7130.3157-134.8-24.8000112.5V409V409-N411 PolarHBondContact O-N 2.69Å; V409-N411 VanDerWaalsContact O-N 3.14Å
412C34Very low46.6Very low113 Ų113154.5 Ų154.576%0.76479%0.793SS**  trans-94.4125.8-160-67.20000113.1
413L42Very low46.5Very low155 Ų155154.3 Ų154.381%0.81279%0.792SS**  trans-139.379.2158.6-111.3159.6000111.7I415L413-I415 HydrophobicContact CD2-CG1 4.3Å; L413-I415 PolarHBondContact O-N 2.93Å
414R40.3Very low47Very low249 Ų249156.2 Ų156.294%0.9480%0.798SS**  trans-66.595.5168-78.9177.3167.2159.9-5.1110.1
415I47.8Very low47.2Very low146 Ų146156.6 Ų156.675%0.74980%0.797SS**PPolyproline II helixtrans-89.9124.6162.4-59.5-178.9000107.8L413L413-I415 HydrophobicContact CD2-CG1 4.3Å; L413-I415 PolarHBondContact O-N 2.93Å
416K54.4Low47Very low188 Ų188155.7 Ų155.782%0.81781%0.806SS**PPolyproline II helixtrans-86.6123.7178.2-65.9179179.3179.60109.6
417L49.3Very low46.7Very low168 Ų168159.5 Ų159.588%0.8881%0.814SS**PPolyproline II helixtrans-74125.8158.7-74.9163000108.8
418P59.2Low46Very low121 Ų121161.8 Ų161.879%0.78682%0.815SS**PPolyproline II helixtrans-77139.2165.631.9-31.5000109.9
419Q45.7Very low46.2Very low173 Ų173159.5 Ų159.581%0.80881%0.813SS**PPolyproline II helixtrans-87.5154.1172.5-68.2-178.2-103.300111.5
420D43.3Very low46.1Very low150 Ų150158.9 Ų158.980%0.80281%0.812SS**  trans25.9121.7147-51.4-54.1000119.4
421G43.5Very low46.4Very low74 Ų74157 Ų15776%0.76382%0.818SS**  trans-179.190.7169.500000118.7
422E45.5Very low46.5Very low187 Ų187157.3 Ų157.387%0.87482%0.815SS**  trans64.9142.1149.9-58.4-162.9102.200122.5
423E44.8Very low46.9Very low180 Ų180158.2 Ų158.284%0.84181%0.812SS**  trans-84.9153174.6-49.2163.899.700113
424K51.1Low47.1Very low190 Ų190155.4 Ų155.483%0.82681%0.812SS**  trans-164.8150.6135.5-102.8134.8-157.1142.30113.9
425K47.5Very low47.5Very low200 Ų200149.2 Ų149.287%0.8780%0.801SS**  trans-85163.2174.4-106.7-169.3171-177.10112
426P47.2Very low47.6Very low126 Ų126150.2 Ų150.282%0.81880%0.803SS**  trans-86.9172.7-172.236.9-37.4000114.1
427E56.2Low47.2Very low193 Ų193147.6 Ų147.690%0.90279%0.793SS**  trans-126.8154.8176.8-164.7169.1175.800111.5
428E41.9Very low47.2Very low163 Ų163147.4 Ų147.476%0.76279%0.785SS**  trans-77173.1-178.7-81.4-175.8102.100113.3
429Q44Very low46.7Very low160 Ų160146.8 Ų146.875%0.74878%0.779SS**  cis-156.5-179.53.4-124.8-179.838.700109.1
430P49.7Very low46.7Very low126 Ų126147 Ų14782%0.81878%0.78SS**  trans-108.6-177.6-165.143.4-39.4000117.2
431G46.2Very low46.8Very low72 Ų72145.5 Ų145.574%0.74277%0.768SS**  trans171.5160.9160.900000111.3
432E43.9Very low47.2Very low169 Ų169150 Ų15079%0.7977%0.767SS**  cis-167.6150-15.4-143.2-164.4156.700109.7
433N41.2Very low47.4Very low132 Ų132147.6 Ų147.671%0.70675%0.754SS**  trans67.6148.9157.4-64.2-48.1000123.3
434A47.3Very low47.6Very low97 Ų97145.4 Ų145.480%0.80274%0.743SS**  trans106138.9155.900000118.9
435V49.1Very low47.3Very low118 Ų118142.7 Ų142.772%0.71573%0.734SS**  cis-170.8152.9-28.3104.40000110.2
436E49.5Very low47.1Very low168 Ų168143.4 Ų143.479%0.78573%0.731SS**  trans64.2158.3164.3-77.6163.1-137.600118
437E44.9Very low47.1Very low133 Ų133143 Ų14362%0.62172%0.718SS**  cis-167.8153.4-16168.9-177.165.600111.6
438K49.4Very low46.7Very low163 Ų163142.9 Ų142.971%0.70971%0.714SS**  trans70.9156.1159.3-84.9163-163.7147.90119.3
439V48.2Very low47Very low109 Ų109143 Ų14366%0.66171%0.712SS**  cis-152.6127.9-5.296.60000109.6
440E46.3Very low47.3Very low177 Ų177140.6 Ų140.683%0.82771%0.711SS**  76.8132.6103.7-162.6167.6-133.100115.9
441E46.3Very low47.3Very low119 Ų119139.8 Ų139.856%0.55671%0.708SS**  cis-116.3-99.812.9-173.2-154.3103.400113.2K443E441-K443 WeakPolarHBondContact OE1-CB 3.49Å; E441-K443 PolarHBondContact OE1-N 3.32Å
442K50.3Low47.2Very low167 Ų167141.6 Ų141.673%0.72671%0.709SS**  cis-144.1142.4-8.5-159.6106.1-155.273.70114.4
443K51.1Low47Very low138 Ų138140 Ų14060%0.671%0.711SS**  trans-62.1165.8169.1-94.3158.3153.9-1000116.2E441E441-K443 WeakPolarHBondContact OE1-CB 3.49Å; E441-K443 PolarHBondContact OE1-N 3.32Å
444E48.8Very low47.4Very low134 Ų134139 Ų13963%0.62671%0.712SS**  cis-153.8127.88.1-148.6137.8176.600114.7
445E43.8Very low47.1Very low133 Ų133140.1 Ų140.162%0.62171%0.709SS**  41.6122.7129.1-156.1-160.8102.900124.4
446R44Very low46.5Very low215 Ų215140.2 Ų140.281%0.81171%0.71SS**  168.5113.3120.6-92.4168.7-174.7-173.52.5112.4
447E46.8Very low46.1Very low118 Ų118137.6 Ų137.655%0.55171%0.71SS**  97.79571.1-95.8-113.6109.100114.8K449E447-K449 WeakPolarHBondContact OE1-CE 3.47Å; E447-K449 IonicContact OE1-NZ 2.64Å; E447-K449 PolarHBondContact OE1-NZ 3.41Å
448K47.6Very low45.9Very low190 Ų190136.9 Ų136.983%0.82672%0.715SS**  trans160.3111.2136.6-84.2149.9-167.2169.50109.3
449K48.8Very low45.5Very low165 Ų165136.5 Ų136.572%0.71772%0.719SS**  82.6139.455.1-71.7177172.4156.90113.7E447E447-K449 WeakPolarHBondContact OE1-CE 3.47Å; E447-K449 IonicContact OE1-NZ 2.64Å; E447-K449 PolarHBondContact OE1-NZ 3.41Å
450P50.9Low45.3Very low110 Ų110139.7 Ų139.771%0.71473%0.727SS**  -145-175.2-69.333.5-11.1000115.3
451S49.8Very low45.4Very low109 Ų109140.4 Ų140.476%0.76273%0.727SS**  trans70.8159.8152.3870000118.5
452S44.2Very low45.7Very low109 Ų109140.2 Ų140.276%0.76274%0.737SS**  cis-143.1163.49.6-65.60000113
453T38.7Very low45.8Very low137 Ų137139.7 Ų139.784%0.8474%0.742SS**  trans-107.2-164.6174.349.20000111.4
454P49.7Very low45.3Very low111 Ų111138.7 Ų138.772%0.72175%0.747SS**  -128.4-160.8-80.139.1-21.7000113.5
455T40.3Very low45.6Very low120 Ų120141.6 Ų141.674%0.73676%0.761SS**  trans120.1105.8144.5-43.20000119.8
456V37.1Very low46Very low120 Ų120144.3 Ų144.373%0.72777%0.77SS**  trans45.8120.5139.1-173.30000123.2
457S41.9Very low46.3Very low112 Ų112140.2 Ų140.278%0.78377%0.77SS**  172.5133.3125.5-74.10000108.8
458T40.4Very low46.4Very low119 Ų119139.5 Ų139.573%0.7378%0.777SS**  cis106.711734.6-64.80000112.5
459L39.6Very low46.3Very low154 Ų154137.9 Ų137.981%0.80678%0.778SS**  trans89.5148.9158.4-129.572.5000123.2
460E45.8Very low46Very low176 Ų176133.7 Ų133.782%0.82278%0.782SS**  trans88.4142.2154.2-93.8173.3127.100124.1
461K47Very low45.9Very low192 Ų192138.7 Ų138.784%0.83579%0.792SS**  trans-128.2169.4177.9-82.4-174.3179.2-176.60105.4
462P53.5Low45.9Very low115 Ų115141 Ų14175%0.74779%0.791SS**  cis-148.2-169.532.343.8-23.2000115.9
463D51.4Low46.2Very low156 Ų156144 Ų14483%0.83480%0.798SS**  -163.3173.5118.6-134.8-38.3000112.7
464V41.6Very low46.5Very low117 Ų117146.6 Ų146.671%0.70980%0.798SS**  trans-147.6130.8-175.2175.90000113.8
465E55.7Low46.5Very low196 Ų196145.8 Ų145.892%0.91680%0.801SS**  trans-133174.3161.2-77.3-139.8101.800113.5
466K50.2Low46.8Very low189 Ų189149 Ų14982%0.82280%0.804SS**  trans-116162.1-164.5-61.2163.4-173.2164.60110.4
467T51.4Low47.1Very low130 Ų130151.1 Ų151.180%0.79881%0.806SS**  -169.6133.572.846.20000110.3
468S49.3Very low47.3Very low102 Ų102152.1 Ų152.171%0.71381%0.808SS**  86.713780.2-158.70000116.1
469N45.7Very low47.4Very low157 Ų157154.3 Ų154.384%0.8481%0.81SS**  trans77128.9176.3-46.8-6.9000115.6
470G42.8Very low48Very low77 Ų77157 Ų15779%0.79482%0.815SS**  cis141.798.9-19.900000116
471K48.3Very low47.9Very low214 Ų214153.7 Ų153.793%0.9381%0.806SS**  trans-161158.6147.4-125175.5-177.3179.10112.1
472E49.2Very low47.7Very low158 Ų158152.3 Ų152.374%0.73881%0.806SS**  trans-105.1157-169.5-58.7168.197.900112.7
473N50.9Low47Very low171 Ų171151.4 Ų151.491%0.91481%0.809SS**  -161.3150.1118.9-96.3-32.2000111.1
474K45.5Very low46.4Very low192 Ų192147.2 Ų147.284%0.83580%0.803SS**  trans-117.6147-179.9-64.6174.2178.6171.80110.4
475A48.1Very low46.4Very low95 Ų95148.7 Ų148.779%0.78581%0.812SS**  -171.4125.6125.600000112.8
476K46.9Very low45.6Very low186 Ų186145.6 Ų145.681%0.80981%0.807SS**  trans20.2128.2144.6-58.6-176.9176.7-171.20120
477E44Very low45.6Very low165 Ų165142.6 Ų142.677%0.77181%0.806SS**  70102.251.7-171.4-170-149.700113.5
478T45.3Very low45Very low133 Ų133144.5 Ų144.582%0.81681%0.807SS**  -179.7122.7114.639.50000111.8
479E43.5Very low44.6Very low166 Ų166149.8 Ų149.878%0.77681%0.811SS**  trans-12.1144.1149.2-178.1-177.6-173.500119.8V481E479-V481 HydrophobicContact CG-CG2 4.32Å
480K52.6Low44.4Very low211 Ų211149.1 Ų149.192%0.91781%0.807SS**  trans-144.7153.6148.3-92.3-157.1174.8-173.20112.6
481V42.6Very low44.5Very low105 Ų105150.9 Ų150.964%0.63681%0.807SS**  trans-117.9141.8-167.5169.40000111.9E479E479-V481 HydrophobicContact CG-CG2 4.32Å
482I42.7Very low44Very low163 Ų163148.4 Ų148.484%0.83680%0.804SS**  trans11.4143.1150.9-46.6168.3000119.5
483A39.4Very low44.1Very low96 Ų96150.9 Ų150.979%0.79381%0.812SS**  trans104104.3153.300000119.7
484G38.5Very low43.6Very low69 Ų69151.7 Ų151.771%0.71181%0.807SS**  104152.1102.800000121.1
485T41.3Very low43.7Very low147 Ų147150.6 Ų150.690%0.90281%0.805SS**  trans70123.9159.542.50000121.8
486T40.2Very low43.5Very low132 Ų132154.4 Ų154.481%0.8181%0.807SS**  trans-71.5170.2164.4-22.30000112.5
487P49.8Very low43.5Very low125 Ų125151.1 Ų151.181%0.81280%0.802SS**  -143.6159.9122.838.8-26.4000116.1
488E37.8Very low43.9Very low171 Ų171149 Ų14980%0.79980%0.803SS**  trans-110.3152.1169.8-175.3-141.2135.400109.4
489R40.8Very low43.7Very low213 Ų213148.7 Ų148.780%0.80480%0.801SS**  trans164131.7142.1-94.1174.2164-177.9-4.2116.6
490L42.6Very low43.7Very low143 Ų143149.8 Ų149.875%0.74980%0.803SS**  trans53.8136132.2-54.8169.2000120.2
491S44.3Very low43.2Very low114 Ų114145.6 Ų145.680%0.79780%0.795SS**  178.217350.5390000112.8
492N39.2Very low43.7Very low162 Ų162145.4 Ų145.487%0.86680%0.795SS**  trans-108158-170.9-59-39.8000116
493K50Low43.6Very low210 Ų210143.8 Ų143.891%0.91379%0.793SS**  trans-162.1177.6143.4-120.9-175.4178-163.60115.8
494K40Very low44.2Very low187 Ų187144.6 Ų144.681%0.81379%0.79SS**  trans-156.2149.3-154.3162.7-170173.5-174.10112.2
495E47.3Very low44.2Very low170 Ų170146.1 Ų146.179%0.79480%0.796SS**  trans160.5160.3159.2-93.2157.1171.300110
496E44Very low44.2Very low174 Ų174143.6 Ų143.681%0.81379%0.791SS**  cis-159.9-178.6-39-155.5169.8118.800110.2
497T47.9Very low44.3Very low117 Ų117143 Ų14372%0.71879%0.792SS**  trans-119.6175.4-173.365.90000113.9
498P51.7Low44.4Very low120 Ų120143 Ų14378%0.77979%0.792SS**  -163142.6101.839.5-17.6000121.7
499V40.9Very low44.7Very low128 Ų128139.7 Ų139.778%0.77679%0.794SS**  trans22.9145.6135.7-165.10000125.6
500K44.9Very low44.9Very low188 Ų188137.7 Ų137.782%0.81779%0.791SS**  trans129119.6134.1-132.2154.7-172.51690115.9
501V41.9Very low45.2Very low123 Ų123139.1 Ų139.175%0.74579%0.793SS**  cis97.9143.340.9159.10000113.3
502P52.1Low45.1Very low101 Ų101137.3 Ų137.366%0.65679%0.793SS**  cis-150.3-178.4-29.945.9-25.3000118.7
503T42.2Very low45.3Very low129 Ų129138.6 Ų138.679%0.79179%0.791SS**  trans49.4178.3149.619.60000124.1
504P50.3Low44.9Very low113 Ų113133.3 Ų133.373%0.73478%0.776SS**  cis-142165.1-20.435.2-14.2000120.1
505A39.1Very low44.9Very low101 Ų101131.5 Ų131.584%0.83578%0.775SS**  trans75.8157.5134.900000127.1
506A41.2Very low45.3Very low95 Ų95129.6 Ų129.679%0.78578%0.777SS**  trans94.2141.1168.500000118.5
507S41.4Very low45.2Very low119 Ų119125.5 Ų125.583%0.83277%0.774SS**  cis-166166.2-15.2-100.80000111.9
508P53.7Low45Very low126 Ų126126.1 Ų126.182%0.81878%0.783SS**  trans-115.7159.8-159.441.2-34.3000118.7
509A42.3Very low44.5Very low101 Ų101123.7 Ų123.784%0.83578%0.779SS**  trans-175.115916100000113
510K46.5Very low44.5Very low171 Ų171127.8 Ų127.874%0.74379%0.787SS**  cis-176.1139.7-36.3-142.6175.7177.3-177.10111.7
511H48.3Very low44.3Very low172 Ų172125.6 Ų125.680%0.79679%0.789SS**  trans66.7154.9172.6-48-69.7000116.2
512G41.3Very low44.5Very low76 Ų76124.9 Ų124.978%0.78479%0.79SS**  cis172.9178.4-1.900000109.1
513K43.9Very low44.1Very low190 Ų190124.7 Ų124.783%0.82679%0.791SS**  cis-174.9158.54-159-165.7179.4-172.50111
514T41.3Very low43.9Very low98 Ų98130 Ų13060%0.60180%0.796SS**  trans72.899.6152.930.80000123
515D40.8Very low43.5Very low149 Ų149134.1 Ų134.180%0.79781%0.806SS**  72.7137.2114.2-54.2-2.5000125.7
516P55.4Low43.4Very low130 Ų130137.4 Ų137.484%0.84480%0.801SS**  trans-113.1179.5171.543.5-35.1000114.8
517A41.6Very low43.6Very low89 Ų89138.5 Ų138.574%0.73680%0.8SS**  trans-162.8130163.500000117.5
518S44.4Very low43.8Very low129 Ų129141.7 Ų141.790%0.90280%0.802SS**  trans62.9149.9150.269.20000121.9
519G40.7Very low43Very low69 Ų69144 Ų14471%0.71181%0.807SS**  cis153156.7-15.800000117.3
520K41.1Very low43.2Very low215 Ų215144.6 Ų144.694%0.93580%0.8SS**  trans83.9163163.5-60.9-167.2174.1-171.70120
521T41.6Very low42.9Very low142 Ų142147.8 Ų147.887%0.87181%0.807SS**  trans-134.8164.5-155.450.40000112.3
522S44.3Very low42.7Very low107 Ų107147.4 Ų147.475%0.74881%0.806SS**  trans-163.6127158-157.90000116.6
523S43.8Very low43Very low98 Ų98150.4 Ų150.469%0.68580%0.804SS**  trans45103.4139.666.40000123.9
524R38.6Very low42.8Very low239 Ų239145.4 Ų145.490%0.90280%0.798SS**  46.1116.7104.8-161.6-174.5-145.9-175.28.9120.1
525Q42.4Very low43.2Very low200 Ų200147.5 Ų147.594%0.93581%0.81SS**  trans-152.3155.2153.4-114-177.41100112.9
526K37Very low43.3Very low171 Ų171146.5 Ų146.574%0.74381%0.805SS**  trans-170.3156.2-176.7-170.9170.7-172.3165.10108.5
527P45.8Very low42.9Very low117 Ų117149.6 Ų149.676%0.7681%0.808SS**  cis-110.4-170.3-43.639.8-26.7000111.1
528Q45.3Very low42.9Very low187 Ų187149.4 Ų149.487%0.87481%0.807SS**  trans-135.1141157.7-77-164.8-1.300111.8
529L36.9Very low42.7Very low174 Ų174150.1 Ų150.191%0.91180%0.8SS**  trans-128.6118.6169.1-172.287.8000107.3
530T46.4Very low43Very low113 Ų113156 Ų15669%0.69381%0.809SS**  trans-97.7128.7-169.2-30.40000111.7
531R39.9Very low43.2Very low239 Ų239153.7 Ų153.790%0.90280%0.799SS**  trans-104.3128.5167.6-80.5-178.5168.4-173.3-3.2110
532Q45.1Very low43.4Very low163 Ų163154.4 Ų154.476%0.76280%0.797SS**  trans-167140.1166-98157.3-25.200105.2
533D45.7Very low43.3Very low139 Ų139154.3 Ų154.374%0.74380%0.797SS**  cis-133.6155.3-0.5-75.8-58.7000107.8
534A40Very low43.2Very low86 Ų86160.1 Ų160.171%0.71181%0.81SS**  cis75.410939.700000114.8
535V49.9Very low43.5Very low141 Ų141156.2 Ų156.286%0.85581%0.806SS**  trans179.4146.1139.5146.60000109.9
536D44.1Very low43.4Very low129 Ų129150.9 Ų150.969%0.6980%0.796SS**  trans-72.6151.5-168.6-51.1-98.6000116.4
537H45.9Very low44Very low195 Ų195152.8 Ų152.890%0.90380%0.804SS**  -173.4170.296.7-100.9-71.3000112.8
538A41.2Very low43.8Very low85 Ų85153.8 Ų153.870%0.70281%0.809SS**  trans-127.3169.3-164.100000114.1
539D40.2Very low43.7Very low143 Ų143150.2 Ų150.277%0.76580%0.804SS**  trans53.8112.5169.6-85.3-48.4000118.5
540E47.9Very low44.1Very low193 Ų193148.9 Ų148.990%0.90280%0.803SS**  -161-176.186.4-120.5-167143.100111.9
541K45.7Very low44.3Very low166 Ų166152.8 Ų152.872%0.72281%0.811SS**  trans-106154.9-163.8-63.1175.4-176.8171.60114.8
542N44.5Very low44.9Very low157 Ų157146.7 Ų146.784%0.8481%0.805SS**  trans93.5156.2157.9-51.3-56.4000119
543S43Very low45.3Very low106 Ų106147.4 Ų147.474%0.74181%0.808SS**  trans76.4101.8171.8-146.90000117.1
544K40.9Very low45.9Very low220 Ų220146 Ų14696%0.95781%0.807SS**  trans-71.7125.1164.6-74.8-175.5174.6-175.70109
545L46Very low46.9Very low157 Ų157150.2 Ų150.282%0.82281%0.812SS**  trans-138.4141176.9-134157.3000109.8
546A40.7Very low47.5Very low88 Ų88153.8 Ų153.873%0.72782%0.816SS**  trans-68.6152.2-169.800000113.9
547K48.5Very low48.4Very low210 Ų210152.6 Ų152.691%0.91381%0.813SS**  trans-136.4130.7154.8-70.8-169.9177.9178.80109.4
548T41.2Very low49.5Very low139 Ų139146.2 Ų146.285%0.85379%0.791SS**  trans-80.7146.6-177.743.90000111.5
549S43.3Very low51.1Low111 Ų111149.5 Ų149.578%0.77679%0.79SS**  trans-140.8101.6167-172.10000109.1K551S549-K551 VanDerWaalsContact C-N 3.32Å; S549-K551 PolarHBondContact O-N 3.4Å
550T45.6Very low52.7Low146 Ų146148.4 Ų148.490%0.89678%0.778SS**  trans-76.683.2176.5450000109.5
551K51.9Low54.1Low195 Ų195144 Ų14485%0.84876%0.761SS**PPolyproline II helixtrans-80.2120.4173.5-160.7170.1-174.2177.60108.6S549 Q553S549-K551 VanDerWaalsContact C-N 3.32Å; S549-K551 PolarHBondContact O-N 3.4Å; K551-Q553 PolarHBondContact O-N 3.05Å
552S51.6Low55.6Low111 Ų111143.8 Ų143.878%0.77676%0.76SS**PPolyproline II helixtrans-60.1132.4-176.742.90000111.6
553Q54.4Low57.3Low178 Ų178138.7 Ų138.783%0.83273%0.734SS**PPolyproline II helixtrans-64.3129.2172.7-178.3177.5-1.100109.1K551 Q555K551-Q553 PolarHBondContact O-N 3.05Å; Q553-Q555 PolarHBondContact O-N 2.75Å
554P58.1Low59.1Low109 Ų109139 Ų13971%0.70873%0.727SS**PPolyproline II helixtrans-65.1126.5170.727.5-32.6000108.7K556P554-K556 PolarHBondContact O-N 3.4Å
555Q60.3Low60.8Low176 Ų176133 Ų13382%0.82271%0.713SS**PPolyproline II helixtrans-62.6131.7165.8-72.9-179.2-4700108Q553 T557Q553-Q555 PolarHBondContact O-N 2.75Å; Q555-T557 PolarHBondContact O-N 2.75Å
556K62.1Low62.3Low215 Ų215133.9 Ų133.994%0.93571%0.71SS**  trans-69.980.8168.6-71.2-169.7174.9-168.60108.5P554 S558P554-K556 PolarHBondContact O-N 3.4Å; K556-S558 PolarHBondContact O-N 2.78Å; K556-S558 VanDerWaalsContact O-N 3.12Å
557T63.1Low63.9Low105 Ų105135.6 Ų135.664%0.64470%0.702SS**  trans-62.6112.116538.90000107.3Q555 F559Q555-T557 PolarHBondContact O-N 2.75Å; T557-F559 PolarHBondContact O-N 3.34Å
558S68.7Low65.4Low61 Ų61131.3 Ų131.343%0.42772%0.717SS.*  trans-52.2139.2-177.9179.80000110.4K556 F560 N561 K562K556-S558 PolarHBondContact O-N 2.78Å; K556-S558 VanDerWaalsContact O-N 3.12Å; S558-F560 PolarHBondContact O-N 3Å; S558-F560 VanDerWaalsContact O-N 3.1Å; S558-N561 PolarHBondContact O-N 2.69Å; S558-K562 PolarHBondContact O-N 2.92Å
559F75.4Confident66.6Low154 Ų154131 Ų13168%0.67571%0.71SS**Hα-helixtrans-50-38.4178.1-176.1-96.7000111.4T557 N561 K562 V563T557-F559 PolarHBondContact O-N 3.34Å; F559-N561 PolarHBondContact O-N 3.04Å; F559-K562 WeakPolarHBondContact O-CB 3.48Å; F559-K562 PolarHBondContact O-N 3.04Å; F559-V563 HydrophobicContact CD1-CG2 3.84Å; F559-V563 HydrophobicContact CE1-CG2 3.55Å; F559-V563 HydrophobicContact CZ-CG2 4.07Å; F559-V563 WeakPolarHBondContact O-CG2 3.08Å; F559-V563 PolarHBondContact O-N 2.8Å
560F74.6Confident67.8Low120 Ų120132 Ų13253%0.52671%0.707SS.*Hα-helixtrans-54.6-42.9173.2-75.2-86.8000114F334 S558 K562 V563 L564F334-F560 HydrophobicContact CE2-CZ 4.08Å; F334-F560 HydrophobicContact CZ-CZ 4.06Å; S558-F560 PolarHBondContact O-N 3Å; S558-F560 VanDerWaalsContact O-N 3.1Å; F560-K562 VanDerWaalsContact C-N 3.3Å; F560-K562 PolarHBondContact O-N 2.99Å; F560-V563 PolarHBondContact O-N 3.47Å; F560-L564 WeakPolarHBondContact O-CB 3.25Å; F560-L564 VanDerWaalsContact O-CG 3.24Å; F560-L564 WeakPolarHBondContact O-CG 3.48Å; F560-L564 PolarHBondContact O-N 2.83Å
561N77.1Confident69Low101 Ų101131.2 Ų131.254%0.5470%0.696SS.*Hα-helixtrans-68.7-30.8177.1-75.18.8000111.9S558 F559 S565S558-N561 PolarHBondContact O-N 2.69Å; F559-N561 PolarHBondContact O-N 3.04Å; N561-S565 WeakPolarHBondContact O-CB 3.36Å; N561-S565 PolarHBondContact O-N 2.74Å
562K77.5Confident70Confident160 Ų160127.5 Ų127.570%0.69669%0.687SS**Hα-helixtrans-73.8-33.7176.4-159179.5-178.3-171.60111.8S558 F559 F560 F566S558-K562 PolarHBondContact O-N 2.92Å; F559-K562 WeakPolarHBondContact O-CB 3.48Å; F559-K562 PolarHBondContact O-N 3.04Å; F560-K562 VanDerWaalsContact C-N 3.3Å; F560-K562 PolarHBondContact O-N 2.99Å; K562-F566 PolarHBondContact O-N 3.28Å
563V79.3Confident71.2Confident50 Ų50128.5 Ų128.530%0.30368%0.682SS.*Hα-helixtrans-70.9-49.4171.7174.10000111F559 F560 S565 F566 F567F559-V563 HydrophobicContact CD1-CG2 3.84Å; F559-V563 HydrophobicContact CE1-CG2 3.55Å; F559-V563 HydrophobicContact CZ-CG2 4.07Å; F559-V563 WeakPolarHBondContact O-CG2 3.08Å; F559-V563 PolarHBondContact O-N 2.8Å; F560-V563 PolarHBondContact O-N 3.47Å; V563-S565 VanDerWaalsContact C-N 3.32Å; V563-S565 PolarHBondContact O-N 3.35Å; V563-F566 WeakPolarHBondContact O-CB 3.15Å; V563-F566 PolarHBondContact O-N 2.98Å; V563-F567 HydrophobicContact CG1-CD2 4.04Å; V563-F567 HydrophobicContact CG1-CE2 4.2Å; V563-F567 WeakPolarHBondContact O-CD2 3.48Å; V563-F567 PolarHBondContact O-N 3.44Å
564L80.2Confident72.3Confident114 Ų114125.2 Ų125.260%0.59767%0.672SS**Hα-helixtrans-59-42.6178.2-71.9168.1000111.7F560 F566 F567 G568F560-L564 WeakPolarHBondContact O-CB 3.25Å; F560-L564 VanDerWaalsContact O-CG 3.24Å; F560-L564 WeakPolarHBondContact O-CG 3.48Å; F560-L564 PolarHBondContact O-N 2.83Å; L564-F566 PolarHBondContact O-N 3Å; L564-F567 PolarHBondContact O-N 2.76Å; L564-G568 PolarHBondContact O-N 2.8Å; L564-G568 VanDerWaalsContact O-N 3.15Å
565S77.3Confident73.3Confident94 Ų94126.4 Ų126.466%0.65767%0.669SS**Hα-helixtrans-74.24.3175.8-170.70000114.8N561 V563N561-S565 WeakPolarHBondContact O-CB 3.36Å; N561-S565 PolarHBondContact O-N 2.74Å; V563-S565 VanDerWaalsContact C-N 3.32Å; V563-S565 PolarHBondContact O-N 3.35Å
566F78.3Confident74.3Confident174 Ų174122.5 Ų122.576%0.76366%0.658SS**Hα-helixtrans-106.6-17.4169.7-172.5-93.9000112.2K562 V563 L564K562-F566 PolarHBondContact O-N 3.28Å; V563-F566 WeakPolarHBondContact O-CB 3.15Å; V563-F566 PolarHBondContact O-N 2.98Å; L564-F566 PolarHBondContact O-N 3Å
567F74.3Confident75.4Confident125 Ų125114.8 Ų114.855%0.54864%0.635SS.*Hα-helixtrans-104.8-11.4-180-84.4-77.9000114.4F326 V563 L564F326-F567 HydrophobicContact CE1-CE2 4.44Å; F326-F567 HydrophobicContact CE1-CZ 4.36Å; V563-F567 HydrophobicContact CG1-CD2 4.04Å; V563-F567 HydrophobicContact CG1-CE2 4.2Å; V563-F567 WeakPolarHBondContact O-CD2 3.48Å; V563-F567 PolarHBondContact O-N 3.44Å; L564-F567 PolarHBondContact O-N 2.76Å
568G78.5Confident76.5Confident120 Ų120115.7 Ų115.7100%1.23763%0.634SS**  trans-110.20172.300000112.1L564L564-G568 PolarHBondContact O-N 2.8Å; L564-G568 VanDerWaalsContact O-N 3.15Å

Retrieved 568 of 568 residues in 1156.7 ms (Link to these results)