A0A087X032_HUMAN Loading...

Centrosomal protein kizuna

Centrosomal protein required for establishing a robust mitotic centrosome architecture that can endure the forces that converge on the centrosomes during spindle formation. Required for stabilizing the expanded pericentriolar material around the centriole.

AlphaFold DB , UniProt , Accession A0A087X032, Species HUMAN (Homo sapiens, Human), Gene KIZ, Length 521 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1K44.8Very low38.4Very low259 Ų259155.9 Ų155.9100%1.12684%0.842SS**  0128.20-179.3177.5-178.2176.90107.6
2K35.2Very low37.9Very low196 Ų196156 Ų15685%0.85284%0.84SS**  trans59.8102.2-175.8-72.1-168.2171.1-170.30117.2
3M43.5Very low38.3Very low169 Ų169158.9 Ų158.983%0.83384%0.84SS**  44.8119.4113.9-176.1-176.6-179.800119.5
4L41.5Very low37.8Very low170 Ų170160.9 Ų160.989%0.8984%0.842SS**  trans-153.1138.1136.6-116.6159.7000109.2
5C41.2Very low38Very low100 Ų100162.3 Ų162.368%0.67684%0.843SS**  trans-126.7131178.6-57.90000109.5
6S37.1Very low37.7Very low119 Ų119161.7 Ų161.783%0.83284%0.84SS**  trans-172.4117144.1-77.80000106.3
7K39.8Very low37.8Very low194 Ų194159.4 Ų159.484%0.84384%0.835SS**  cis98.6126.444.7-173.3172.1-172.8177.10110.6
8D35.4Very low37.8Very low150 Ų150158.6 Ų158.680%0.80283%0.832SS**  trans-76.9173.2-166.5-35.5-93000111.4
9S38.7Very low38Very low114 Ų114159.3 Ų159.380%0.79783%0.83SS**  cis-152.2152.914.153.40000112.6
10L33.3Very low38.2Very low179 Ų179158.4 Ų158.494%0.93783%0.826SS**  trans-130.9122.6161.2-104.2169.5000107.4
11G32.1Very low38.3Very low65 Ų65162 Ų16267%0.6783%0.829SS**  trans-112.7138172.500000110.4
12L32.8Very low38Very low157 Ų157157.4 Ų157.482%0.82281%0.812SS**  trans-173.1115151.2-104.8172.6000111.3
13K42.1Very low38.6Very low194 Ų194157.6 Ų157.684%0.84381%0.813SS**  trans63.7177.5149-72.8-172.9173-1640120.2
14E32.2Very low38.3Very low186 Ų186155 Ų15587%0.86981%0.806SS**  trans67.197.8-175.2-110.9160.9161.800113.5
15E40.1Very low38.2Very low183 Ų183151 Ų15186%0.85580%0.798SS**  74.5111.753-166.4176.816300113.6
16L34.2Very low38.2Very low152 Ų152152.6 Ų152.680%0.79680%0.804SS**  trans-170.4126.6153.9-105.1172.1000110.2
17T39.1Very low38.2Very low122 Ų122155.1 Ų155.175%0.74880%0.802SS**  trans25.8140.8146.656.10000120.8
18D37.8Very low38.1Very low146 Ų146153.6 Ų153.678%0.78180%0.798SS**  cis171.8-179-0.7-161.8-5.4000106.1
19E42.2Very low38.1Very low171 Ų171148.6 Ų148.680%0.79978%0.782SS**  trans57.499.9164.6-65.9-163.5150.400120.7
20D40.5Very low38.4Very low141 Ų141150.4 Ų150.475%0.75478%0.781SS**  trans63.5109.3133.2-16119.1000121.2E22D20-E22 PolarHBondContact OD1-N 3.41Å
21R41.8Very low38.9Very low234 Ų234149.2 Ų149.288%0.88378%0.776SS**  trans-153.5110.2133.6-105.8146-169-104.8-4.1110.5K23R21-K23 PolarHBondContact O-N 3.15Å
22E37.3Very low39.6Very low163 Ų163150.9 Ų150.976%0.76278%0.778SS**  trans-6.8112.6156.7-171.4-177.5177.700115.1D20 V24D20-E22 PolarHBondContact OD1-N 3.41Å; E22-V24 HydrophobicContact CG-CG2 4.45Å; E22-V24 PolarHBondContact O-N 3.45Å
23K48.6Very low40.2Very low201 Ų201146.7 Ų146.787%0.87477%0.772SS**  trans-81.488176.7-65.9-171.6-177-179.10110.3R21 A25R21-K23 PolarHBondContact O-N 3.15Å; K23-A25 VanDerWaalsContact C-N 3.25Å; K23-A25 PolarHBondContact O-N 2.96Å
24V36.3Very low40.4Very low114 Ų114143.2 Ų143.269%0.69177%0.767SS**  trans-63.589.9165.5-179.60000108.8E22 V26E22-V24 HydrophobicContact CG-CG2 4.45Å; E22-V24 PolarHBondContact O-N 3.45Å; V24-V26 PolarHBondContact O-N 3.11Å
25A39.9Very low41.3Very low87 Ų87138.8 Ų138.872%0.71976%0.762SS**  trans-66.6116.5168.600000107.9K23 H27K23-A25 VanDerWaalsContact C-N 3.25Å; K23-A25 PolarHBondContact O-N 2.96Å; A25-H27 PolarHBondContact O-N 2.84Å
26V41.8Very low41.1Very low133 Ų133138.2 Ų138.281%0.80676%0.762SS**  trans-68.789.8172.1179.90000107.6V24 E28V24-V26 PolarHBondContact O-N 3.11Å; V26-E28 PolarHBondContact O-N 2.93Å
27H36.8Very low41.8Very low171 Ų171136.3 Ų136.379%0.79276%0.761SS**  trans-70.4102.1168.4-162.9-61.2000106.9A25 G29A25-H27 PolarHBondContact O-N 2.84Å; H27-G29 PolarHBondContact O-N 3.45Å
28E38.2Very low42.7Very low162 Ų162142.4 Ų142.476%0.75777%0.771SS**  trans-65.399.3-178.9-169.3163.5-175.400109V26 I30V26-E28 PolarHBondContact O-N 2.93Å; E28-I30 VanDerWaalsContact C-N 3.3Å; E28-I30 PolarHBondContact O-N 3.02Å
29G34.9Very low43Very low46 Ų46138.5 Ų138.547%0.47477%0.765SS.*  trans-68.286.8-177.900000110.3H27 N31H27-G29 PolarHBondContact O-N 3.45Å; G29-N31 PolarHBondContact O-N 2.87Å; G29-N31 PolarHBondContact O-OD1 3.21Å
30I44.6Very low43.5Very low151 Ų151138 Ų13877%0.77477%0.767SS**  trans-63.481.916644.6166.9000109E28 S32E28-I30 VanDerWaalsContact C-N 3.3Å; E28-I30 PolarHBondContact O-N 3.02Å; I30-S32 PolarHBondContact O-N 3.17Å
31N44.6Very low43.5Very low154 Ų154142 Ų14282%0.82477%0.773SS**  trans-69.670.4178.2-67.5-27.6000109.7G29 G33G29-N31 PolarHBondContact O-N 2.87Å; G29-N31 PolarHBondContact O-OD1 3.21Å; N31-G33 PolarHBondContact O-N 3.08Å
32S46.3Very low43.9Very low101 Ų101138.7 Ų138.771%0.70677%0.767SS**  trans-71.958.1168.662.60000109.9I30 T34I30-S32 PolarHBondContact O-N 3.17Å; S32-T34 PolarHBondContact O-N 3.4Å
33G45.5Very low44.7Very low68 Ų68136.6 Ų136.670%0.70177%0.768SS**  trans-70.279.5174.200000109.3N31 A35N31-G33 PolarHBondContact O-N 3.08Å; G33-A35 PolarHBondContact O-N 3.39Å
34T46.3Very low44.8Very low121 Ų121131.2 Ų131.274%0.74276%0.761SS**  trans-56.499.5173.2-61.40000108.6S32 M36S32-T34 PolarHBondContact O-N 3.4Å; T34-M36 VanDerWaalsContact C-N 3.34Å; T34-M36 PolarHBondContact O-N 3.01Å
35A49.7Very low45.7Very low93 Ų93132.6 Ų132.677%0.76977%0.77SS**  trans-66.193.2-178.600000109.3G33 S37G33-A35 PolarHBondContact O-N 3.39Å; A35-S37 PolarHBondContact O-N 2.91Å
36M37.9Very low46.2Very low171 Ų171135.6 Ų135.684%0.84277%0.772SS**  trans-61.4101.2173.1-74.1-172.2173.100108.7T34 R38T34-M36 VanDerWaalsContact C-N 3.34Å; T34-M36 PolarHBondContact O-N 3.01Å; M36-R38 PolarHBondContact O-N 2.89Å
37S47.8Very low46.6Very low113 Ų113138.1 Ų138.179%0.7977%0.773SS**  trans-58.3112.2169.943.10000108.1A35 G39A35-S37 PolarHBondContact O-N 2.91Å; S37-G39 PolarHBondContact O-N 3.27Å
38R57.1Low47.4Very low250 Ų250139 Ų13994%0.94378%0.779SS**  trans-65.886.8174.2-78.2-175.6166.2-137.5-1.3108.8M36 L40M36-R38 PolarHBondContact O-N 2.89Å; R38-L40 PolarHBondContact O-N 2.88Å; R38-L40 VanDerWaalsContact O-N 3.15Å
39G44.8Very low47.9Very low64 Ų64133.5 Ų133.566%0.6677%0.766SS**  trans-54.6117.7179.100000110.1S37 Y41S37-G39 PolarHBondContact O-N 3.27Å; G39-Y41 PolarHBondContact O-N 2.93Å
40L52.4Low48.2Very low160 Ų160142.8 Ų142.884%0.83879%0.787SS**  trans-70106.5-178.7-155.279.7000108.3R38 Q42R38-L40 PolarHBondContact O-N 2.88Å; R38-L40 VanDerWaalsContact O-N 3.15Å; L40-Q42 PolarHBondContact O-N 3.32Å
41Y41.9Very low48.2Very low226 Ų226142.9 Ų142.989%0.88678%0.784SS**  trans-65.495.8-177.6-124-92.1000110G39 P43G39-Y41 PolarHBondContact O-N 2.93Å; Y41-P43 WeakPolarHBondContact O-CD 3.4Å
42Q50.2Low47.9Very low164 Ų164143.2 Ų143.277%0.76678%0.782SS**  trans-79.6118.2164.3-72.2-171.1-17.600108L40 A44L40-Q42 PolarHBondContact O-N 3.32Å; Q42-A44 PolarHBondContact O-N 3.34Å
43P54Low47.7Very low118 Ų118143.5 Ų143.577%0.76678%0.784SS**  trans-68.2108.9172.927.9-32.4000108.6Y41 T45Y41-P43 WeakPolarHBondContact O-CD 3.4Å; P43-T45 PolarHBondContact O-N 3.2Å; P43-T45 VanDerWaalsContact O-N 3.16Å
44A49.3Very low47.6Very low88 Ų88145 Ų14573%0.72779%0.79SS**  trans-61.4117.8173.700000109.3Q42 I46Q42-A44 PolarHBondContact O-N 3.34Å; A44-I46 PolarHBondContact O-N 3.29Å
45T56Low47.1Very low144 Ų144147.2 Ų147.288%0.88380%0.796SS**  trans-67.595.7177.1-0.20000109.2P43 F47P43-T45 PolarHBondContact O-N 3.2Å; P43-T45 VanDerWaalsContact O-N 3.16Å; T45-F47 PolarHBondContact O-N 3.2Å
46I50.6Low46.5Very low150 Ų150150.2 Ų150.277%0.76980%0.798SS**  trans-63.8111.3179.3-56.3179.8000108.5A44 M48A44-I46 PolarHBondContact O-N 3.29Å; I46-M48 PolarHBondContact O-N 3.07Å
47F49.4Very low46.4Very low186 Ų186148 Ų14882%0.81680%0.799SS**  trans-66.297.3176.4-179.2-100.2000109.7T45 G49T45-F47 PolarHBondContact O-N 3.2Å; F47-G49 PolarHBondContact O-N 3.21Å
48M53.7Low45.8Very low189 Ų189149.4 Ų149.493%0.93180%0.795SS**  trans-67.872.9177.4-80.5-84.9-75.600111.1I46I46-M48 PolarHBondContact O-N 3.07Å
49G49.5Very low44.6Very low46 Ų46147 Ų14747%0.47479%0.786SS.*  trans-13566-16500000115.2F47F47-G49 PolarHBondContact O-N 3.21Å
50R40.7Very low44Very low241 Ų241150.4 Ų150.491%0.90979%0.789SS**  trans-150.1142.6150.4-127.4179.7-167.6-76.3-2.7114
51Q44.7Very low43.2Very low154 Ų154152.9 Ų152.972%0.7279%0.793SS**  trans-109.7154.2177.4-96.1-75.51.100110.4
52M37.6Very low43.2Very low160 Ų160147 Ų14779%0.78879%0.786SS**  trans63.7150.9166.3-57.2158.263.300115.5
53S42.7Very low42.5Very low107 Ų107145 Ų14575%0.74878%0.784SS**  cis-146.8169.227.4-63.30000113.1
54A42.4Very low41.8Very low99 Ų99147.6 Ų147.682%0.81879%0.787SS**  trans-74.4154.8170.500000112.9
55I37.2Very low41Very low168 Ų168152.3 Ų152.386%0.86279%0.793SS**  trans-107122.3166.1-61.4177000108.3
56L35.9Very low40Very low156 Ų156155.2 Ų155.282%0.81779%0.793SS**  trans-78117.8167.8-78.3163.1000109.2
57S35.9Very low39.3Very low124 Ų124153.4 Ų153.487%0.86779%0.794SS**  trans-88.5121.9158.7-172.80000108.2
58M36.7Very low38.7Very low143 Ų143150.3 Ų150.370%0.70479%0.793SS**  trans-116.3135.9176.9-78.2-176.662.400110.5
59R31.9Very low38Very low200 Ų200150.2 Ų150.276%0.75579%0.79SS**  trans71.186.2167.2-156167.1-68.41582.5114.2
60D32.3Very low37.5Very low135 Ų135153.7 Ų153.772%0.72280%0.804SS**  69.1114.778.5-63.4-52.2000113.9
61F33.8Very low37.2Very low212 Ų212148.1 Ų148.193%0.9380%0.797SS**  -144.8159.9119.6-85.8-64.7000109.4
62S41.8Very low36.8Very low104 Ų104148.6 Ų148.673%0.72780%0.797SS**  trans-63.9160.5-169.455.10000114.5
63T35.7Very low36.7Very low120 Ų120148.8 Ų148.874%0.73680%0.801SS**  cis-151.2147.140.749.10000116.3
64E40.3Very low36.2Very low174 Ų174152.4 Ų152.481%0.81380%0.804SS**  trans53.6104.7137.9-169.3164.9-146.500121.2
65H32.3Very low36.1Very low187 Ų187153.5 Ų153.587%0.86681%0.806SS**  -158158.6120.6-128-107.9000112.2
66K35.4Very low36Very low204 Ų204153.2 Ų153.289%0.88780%0.804SS**PPolyproline II helixtrans-76.2147-174.4-79.9177.1176.4169.90114
67S34.7Very low36.3Very low113 Ų113151.2 Ų151.279%0.7980%0.8SS**PPolyproline II helixtrans-92.7147.3178.451.30000114.2
68P38.2Very low36.4Very low121 Ų121151.6 Ų151.679%0.78679%0.793SS**PPolyproline II helixtrans-84.5149153.334.4-30.8000110.7
69Q39Very low36.7Very low186 Ų186150.1 Ų150.187%0.86979%0.794SS**PPolyproline II helixtrans-101123.6-172.4-178.8-178.912.200112.4
70P37.5Very low37.4Very low120 Ų120148.5 Ų148.578%0.77979%0.794SS**PPolyproline II helixtrans-92.6159.216531.3-24.5000112.6
71T35.1Very low37.5Very low123 Ų123148 Ų14876%0.75580%0.801SS**  trans-104.5139.5-161.8-62.60000113.6
72K36.4Very low37.7Very low165 Ų165145 Ų14572%0.71779%0.79SS**  trans42.2111.7163.8-71.8-179.4176.3-179.70118.2
73N34.6Very low37.6Very low164 Ų164151 Ų15188%0.87780%0.797SS**PPolyproline II helixtrans-95.3143.6145.5-72.8-50.1000109.7
74F32.8Very low37.6Very low182 Ų182153.8 Ų153.880%0.79880%0.801SS**PPolyproline II helixtrans-94.3131.2166.6-74.5-91000109
75S39.7Very low37.5Very low123 Ų123152.2 Ų152.286%0.8680%0.804SS**PPolyproline II helixtrans-79.7135178.7-53.30000111.9
76I37.1Very low37.5Very low161 Ų161147.8 Ų147.883%0.82680%0.8SS**PPolyproline II helixtrans-85.8133.9162.9-58.8175.2000107.4
77P40.6Very low37.5Very low114 Ų114146.2 Ų146.274%0.7480%0.795SS**PPolyproline II helixtrans-76.5138.3-179.830.3-34.4000112.5
78D39.2Very low37.8Very low133 Ų133146.2 Ų146.271%0.71180%0.796SS**PPolyproline II helixtrans-72.1126.4167.8179.2-10.5000110H80D78-H80 VanDerWaalsContact C-N 3.33Å; D78-H80 PolarHBondContact O-N 3.46Å; D78-H80 PolarHBondContact OD1-N 3.17Å
79P43.2Very low37.8Very low111 Ų111144.7 Ų144.772%0.72179%0.788SS**SBendtrans-77.6-1.2-17731.7-36.3000115.8
80H44.8Very low37.7Very low166 Ų166143 Ų14377%0.76979%0.785SS**  trans-131.986.9-175.6-75-53.2000116.6D78D78-H80 VanDerWaalsContact C-N 3.33Å; D78-H80 PolarHBondContact O-N 3.46Å; D78-H80 PolarHBondContact OD1-N 3.17Å
81S35Very low37.7Very low125 Ų125144 Ų14487%0.87479%0.788SS**  trans-146.9136.2147-169.90000111.6
82H37.6Very low37.8Very low150 Ų150143.2 Ų143.269%0.69478%0.784SS**  trans-94.3160.7-17498-18.8000113Q84H82-Q84 PolarHBondContact O-N 3.43Å
83R41.1Very low37.7Very low228 Ų228142.2 Ų142.286%0.8679%0.786SS**  trans-49132.3177.6-58.3168.2103.4-115.37.3112.8
84Q36.1Very low37.8Very low179 Ų179139 Ų13984%0.83678%0.776SS**  trans-153.1147.7138.9-115.5162.6-1.800110.8H82H82-Q84 PolarHBondContact O-N 3.43Å
85T37Very low37.9Very low142 Ų142135.6 Ų135.687%0.87177%0.774SS**  trans-144.4105.4-173.8-56.30000109.9
86A33.3Very low37.6Very low93 Ų93136 Ų13677%0.76977%0.771SS**  trans-172164.9163.600000108.9
87Q34.9Very low37.6Very low171 Ų171134.4 Ų134.480%0.79977%0.768SS**  cis-179.1117.7-37.6175177.48.700106.4
88S40.1Very low37.4Very low114 Ų114136.6 Ų136.680%0.79777%0.769SS**  trans61.3173.1174.3800000114.9
89S39.1Very low37.3Very low89 Ų89135.3 Ų135.362%0.62277%0.766SS**  cis-150.2139.90.660.80000112.3
90N36.3Very low36.8Very low151 Ų151134.8 Ų134.881%0.80777%0.765SS**  trans42.7157131.8-49.3-5.6000123
91V37.8Very low36.7Very low139 Ų139135 Ų13584%0.84277%0.772SS**  trans100.6132.8164.4179.60000115
92T36.3Very low36.8Very low108 Ų108135.9 Ų135.966%0.66377%0.767SS**  cis-167.8175.1-25.2-80.30000105.3
93D34.8Very low37.1Very low144 Ų144134.6 Ų134.677%0.7777%0.769SS**  trans76.4141.2167.4-82.7-46.9000118
94S37.8Very low36.9Very low96 Ų96132.5 Ų132.567%0.67177%0.769SS**  cis-148.5166-8-142.70000114.1
95C34Very low37.1Very low111 Ų111129.4 Ų129.475%0.7577%0.766SS**  trans-32150.1-176.7-56.50000120.1
96V33.3Very low37.3Very low131 Ų131129.6 Ų129.679%0.79476%0.761SS**  166.7163.1104.21670000108.8
97V37.5Very low37.4Very low128 Ų128131.4 Ų131.478%0.77676%0.758SS**  trans78.1131.8177.2-170.30000115.3
98Q36.5Very low37.8Very low159 Ų159132.9 Ų132.974%0.74376%0.762SS**  cis-164.7146.9-23.2-171.6172.4-50.500110.2
99T36.2Very low37.7Very low107 Ų107132.9 Ų132.966%0.65676%0.761SS**  trans41.8103.5161.652.60000120.7
100S34.1Very low37.7Very low99 Ų99135 Ų13569%0.69277%0.766SS**  41.3124.7121.664.10000121.2
101N42.4Very low38.2Very low172 Ų172134.7 Ų134.792%0.9276%0.764SS**  -144154.4119.3-97.1-48.7000110.3
102D35.7Very low38.7Very low143 Ų143136.1 Ų136.177%0.76577%0.765SS**  trans-98.8-164.9-171.6-163-3.5000111.4
103T45.3Very low39Very low122 Ų122139.1 Ų139.175%0.74878%0.777SS**  trans88.262.317468.10000117.9C105T103-C105 PolarHBondContact O-N 2.9Å
104Q36.8Very low39.1Very low185 Ų185135.4 Ų135.486%0.86477%0.773SS**  15.1103.1114.3-175.5-172.858.300117.9
105C40.5Very low39.2Very low113 Ų113140.7 Ų140.776%0.76478%0.784SS**  trans-150.9109.5146.856.20000109.3T103T103-C105 PolarHBondContact O-N 2.9Å
106L40.2Very low39.4Very low146 Ų146139.8 Ų139.876%0.76479%0.785SS**  77.8100.285.9-74175.5000115.4
107N35.8Very low39.7Very low132 Ų132139 Ų13971%0.70678%0.784SS**  trans51.6105.8136.4-61.7-21000121.5
108K43Very low39.9Very low202 Ų202141.5 Ų141.588%0.87879%0.793SS**  27.9118.6124.7-59.7-175.3179.3-174.20119.2
109S39.4Very low39.9Very low113 Ų113142.6 Ų142.679%0.7980%0.798SS**  trans172156.6141.229.10000108.9
110D38.3Very low40.2Very low134 Ų134145.5 Ų145.572%0.71781%0.808SS**  cis-153.7-176.1-30.4-134.7-66.7000109.8
111N45.6Very low40.5Very low145 Ų145144 Ų14478%0.77581%0.808SS**  trans-60135.1176-61.8-96000113.2
112I48.7Very low40.3Very low169 Ų169145 Ų14587%0.86781%0.807SS**  trans-142.2128.7147.139.5172.4000110.8
113D43.7Very low40.8Very low171 Ų171148.6 Ų148.691%0.91482%0.815SS**  trans-79146164.1178.328.3000109.5
114G35.6Very low40.6Very low66 Ų66151.1 Ų151.168%0.6882%0.821SS**  trans173127-174.300000113.8
115K40.6Very low41.4Very low207 Ų207147 Ų14790%0.981%0.81SS**  trans-78.5140.2-175.3-73.7-171.1177.5-177.20114.1
116A38.7Very low41.1Very low92 Ų92147.5 Ų147.576%0.7681%0.81SS**  trans49.4119.8137.400000120.3
117S39.9Very low40.8Very low113 Ų113146.3 Ų146.379%0.7981%0.808SS**  -179.6126.9113.238.90000112.5
118L41.5Very low40.7Very low181 Ų181144 Ų14495%0.94881%0.808SS**  trans-153.6154147.5-87.7-166.1000109.1
119Q35Very low40.1Very low182 Ų182139.4 Ų139.485%0.8580%0.801SS**  trans-147.6117.8-156173.1-171.1-6.800112.1
120I43.7Very low39.7Very low169 Ų169139.9 Ų139.987%0.86780%0.799SS**  trans-149.4138.8159-55.389.5000105.4
121G40.7Very low39.4Very low67 Ų67141.5 Ų141.569%0.69181%0.807SS**  cis167.2136.4-4.600000109
122E38Very low38.8Very low193 Ų193139.8 Ų139.890%0.90281%0.806SS**  trans-64152.7-173.8-60.4163.488.800114.2
123K46.9Very low38Very low218 Ų218140.5 Ų140.595%0.94881%0.806SS**  -151.7150.7128.8-67.9-150.6177.8-170.10111.9
124M41.1Very low37.7Very low176 Ų176141.5 Ų141.587%0.86781%0.805SS**  trans-167.3174.3-175.1-143.8176.162.900107
125P52Low37.6Very low98 Ų98147 Ų14764%0.63681%0.813SS**  cis-118.6-154.1-44.4187.1000111.4
126V34.6Very low37.1Very low124 Ų124145.1 Ų145.175%0.75281%0.807SS**  trans80.7142.5156.1-169.20000114.8
127T34.6Very low36.8Very low120 Ų120146.5 Ų146.574%0.73681%0.807SS**  cis-137.6156.78.4-1.90000108.3
128A32.8Very low36.3Very low84 Ų84148.6 Ų148.669%0.69480%0.803SS**  49.5143.467.500000115.2
129S30.4Very low35.9Very low106 Ų106145 Ų14574%0.74179%0.793SS**  cis-168.6160-2.7-118.80000110.9
130V31.3Very low35.8Very low122 Ų122143.8 Ų143.874%0.73979%0.791SS**  trans64.4114.5141.6174.30000121.7
131L31.4Very low35.2Very low168 Ų168143.9 Ų143.988%0.8879%0.788SS**  trans44139.4134.4-51.7176.9000124
132S33.4Very low34.9Very low109 Ų109148.5 Ų148.576%0.76280%0.795SS**  trans158.9110.8137.3-157.40000106.7
133E33.2Very low34.5Very low185 Ų185142 Ų14286%0.86478%0.78SS**  71.2102.669.8-171.8173-133.600114
134E36.7Very low33.7Very low191 Ų191137.3 Ų137.389%0.89378%0.775SS**  trans-165.7154.1146.5-16684.3-126.800107.1
135E33.5Very low33.3Very low181 Ų181136.2 Ų136.285%0.84677%0.772SS**  trans-82.5163.6177.5-68.5-177.864.500113.5
136Q30.4Very low32.8Very low168 Ų168137.7 Ų137.779%0.78578%0.78SS**  151.8100.3113.4-171.5170.74500114
137T31.2Very low33Very low122 Ų122142.7 Ų142.775%0.74879%0.785SS**  trans64.1166.1165.373.20000115.9
138H29.5Very low33.3Very low156 Ų156146.5 Ų146.572%0.72279%0.794SS**  cis-155.7153.11.529.3-88.2000109.2
139C32.7Very low33.4Very low107 Ų107146.2 Ų146.272%0.72380%0.799SS**  trans65.5133.6170.7-620000115.6
140L33.8Very low33.9Very low156 Ų156151.5 Ų151.582%0.81781%0.808SS**  59.1126.965.4-60.9171.8000111.7
141E31Very low34.2Very low170 Ų170151.1 Ų151.179%0.79481%0.811SS**  cis-154.6-170.816.1-150.5-173.3129.700111.6
142I33.9Very low34.4Very low165 Ų165150.3 Ų150.385%0.84681%0.808SS**  trans74.9130.9172.4-47.7164.7000114.5
143G30Very low34.6Very low57 Ų57153.6 Ų153.659%0.58882%0.816SS**  cis164.4160.8-500000112.6
144S30.2Very low34.9Very low119 Ų119150.8 Ų150.883%0.83282%0.817SS**  trans49.5110.1175.265.70000117.4
145N32.2Very low34.9Very low152 Ų152150.9 Ų150.981%0.81382%0.817SS**  trans-134.3105.1148.9-114.7-58.3000109.6
146T42.2Very low35Very low130 Ų130145.7 Ų145.780%0.79881%0.812SS**  trans-68.4128.6171.132.40000110.4
147R39.3Very low35.5Very low229 Ų229146.8 Ų146.886%0.86481%0.814SS**  trans-158.7147.8155.4-99.1127.1-141.5-76.81.6112
148H41Very low35.9Very low200 Ų200150.5 Ų150.593%0.92682%0.82SS**  trans-75.1151.4173.2-63.6-69.1000111.7
149G34.3Very low36.5Very low77 Ų77149 Ų14979%0.79483%0.828SS**  trans-162.193.4167.800000111.6
150K41.4Very low36.7Very low217 Ų217148.3 Ų148.394%0.94383%0.829SS**  trans-90.4116.9169-82.6-177.8174.6178.20109.8
151S36.4Very low36.4Very low114 Ų114148.6 Ų148.680%0.79783%0.826SS**  trans-154.6156.8155.346.10000109.2
152N36.8Very low36.5Very low152 Ų152147.5 Ų147.581%0.81383%0.825SS**  trans-114.3179.9-167.7-59.2-69000111.9
153L36.7Very low36.4Very low177 Ų177146.6 Ų146.693%0.92782%0.822SS**  trans78.5136.3174.2-42.3179.6000112.1
154S40.2Very low36.8Very low126 Ų126149.3 Ų149.388%0.88183%0.832SS**  cis-121.7-17634.858.30000116.6
155E36.9Very low37.5Very low194 Ų194149 Ų14991%0.90783%0.827SS**  trans-96.7134-163.7-175.7-178.8173.100113.2
156G35.3Very low37.4Very low72 Ų72149.3 Ų149.374%0.74283%0.828SS**  trans-144.725.2-161.100000119
157K40.7Very low36.9Very low190 Ų190152.7 Ų152.783%0.82683%0.826SS**  trans51.3100.7165.2-64.1175.5-178.91710119.5
158K39.8Very low36.4Very low200 Ų200147.4 Ų147.487%0.8781%0.811SS**  trans53.5108131.7-57-178.8-178.8-174.30120.2
159S41.5Very low36Very low126 Ų126147.1 Ų147.188%0.88180%0.802SS**  -160.8156.1125.3-81.20000109.9
160A36.8Very low36Very low91 Ų91150 Ų15075%0.75280%0.798SS**  trans-59.6135.4-176.500000111.5
161E28.3Very low35.7Very low162 Ų162144.6 Ų144.676%0.75779%0.788SS**  59.382.465.3-160168.8-146.200110
162L32.7Very low36.1Very low147 Ų147144.6 Ų144.677%0.7779%0.785SS**  58.9122.297.3-65.1176.1000113.4
163N31.9Very low35.9Very low146 Ų146144.7 Ų144.778%0.78178%0.781SS**  176.4132.9107-94.1-69000110.1
164S38.6Very low36Very low115 Ų115143.4 Ų143.480%0.80478%0.775SS**  trans-117.9135.1155.957.60000108
165P43.5Very low36.1Very low112 Ų112147 Ų14773%0.72777%0.769SS**  trans-139.4148.1132.134.7-22000113.7
166L31.8Very low36.1Very low158 Ų158143 Ų14383%0.82776%0.758SS**  trans-9.5134.6138.8-67.1155.4000113.7
167R30.9Very low36.8Very low201 Ų201146.3 Ų146.376%0.75876%0.764SS**  cis-171.9160.245.4-133.7-179.1-168.6-128.98.3111.8
168E28.7Very low36.6Very low118 Ų118143.9 Ų143.955%0.55176%0.76SS**  trans37.9107.3132-167.3-153.9143.600119.5
169R33.6Very low36.6Very low195 Ų195142.4 Ų142.474%0.73676%0.761SS**  170.4141.7120.3-94175.6108.289.3-4.2114.5
170L34.4Very low36.7Very low137 Ų137145.2 Ų145.272%0.71776%0.757SS**  trans62.7107.2145.9-62168.9000121.4
171S33.6Very low36.6Very low103 Ų103145.9 Ų145.972%0.7276%0.755SS**  trans77.1146.1132.1-55.70000121.3
172P45.8Very low36.8Very low114 Ų114144.7 Ų144.774%0.7475%0.754SS**  trans-89.2140.9170.835.8-32.4000111.9
173E32.1Very low37Very low155 Ų155143.3 Ų143.372%0.72476%0.756SS**  trans-132.572.7-176-16787.7-15200111.2
174N39.7Very low37.3Very low150 Ų150141.1 Ų141.180%0.80275%0.753SS**  trans-110.966.7171.166.5-40000112.5
175R42.1Very low37.2Very low202 Ų202140.9 Ų140.976%0.76275%0.751SS**  trans-47.8152.4155.3-95.4176.4146.3156.1-8.6111.5
176T35.7Very low36.9Very low110 Ų110138.9 Ų138.968%0.67575%0.751SS**  cis-150.2142.29.737.30000111.7
177T51.5Low37.1Very low140 Ų140136.1 Ų136.186%0.85975%0.745SS**  trans172.691.5140.634.50000105.6
178D36.3Very low37.6Very low139 Ų139135.9 Ų135.974%0.74375%0.752SS**  55.582.466.4-164.423.3000114.7
179L39.9Very low37.9Very low170 Ų170133.4 Ų133.489%0.8976%0.759SS**  trans-146.1158.3134.2-79.6-169000109.2
180K42.9Very low38Very low184 Ų184132.3 Ų132.380%0.876%0.762SS**  trans-79.8151.9-175.9-68.6179.3-178.8178.90111.5
181C34.4Very low38.2Very low105 Ų105131.8 Ų131.871%0.70976%0.758SS**  57.2126.962.3-83.40000111.5
182D33.2Very low38.7Very low138 Ų138134.4 Ų134.474%0.73876%0.763SS**  cis-151.5178.614.1-70.8-60.3000112.1
183S36.3Very low38.4Very low117 Ų117135 Ų13582%0.81877%0.765SS**  trans68.9135.9159.2-64.90000117.6
184S37.4Very low38.5Very low100 Ų100138 Ų13870%0.69977%0.77SS**  cis93.2121.140.6-171.10000114.2
185S38.1Very low38.7Very low111 Ų111136.3 Ų136.378%0.77676%0.757SS**  trans58.9130148.157.70000121.6
186G35.6Very low38.5Very low70 Ų70134 Ų13472%0.72276%0.755SS**  trans97.5158.316200000114.7
187S37.6Very low39Very low100 Ų100136.2 Ų136.270%0.69976%0.761SS**  cis156132.6-22.744.40000107.1
188E40.7Very low38.3Very low195 Ų195138.6 Ų138.691%0.91176%0.762SS**  trans74.7163.9160.1-66.1163.2-15400119.1
189G34.9Very low38.4Very low67 Ų67137.6 Ų137.669%0.69176%0.761SS**  trans9396.3-155.200000111
190E36.5Very low38.3Very low171 Ų171137.4 Ų137.480%0.79976%0.756SS**  cis62.1132.529.4-118.5-153.7139.400112.1
191I37.6Very low37.9Very low126 Ų126135.4 Ų135.465%0.64675%0.749SS**  cis-150157.212.7-22.1173.4000109.2
192L44.3Very low37.9Very low158 Ų158138.4 Ų138.483%0.82775%0.75SS**  trans151.280138.3-81.2164.1000115.2
193T38.8Very low38.1Very low127 Ų127143.4 Ų143.478%0.77976%0.758SS**  trans10.8127.1139.756.50000120.8
194R36Very low37.9Very low217 Ų217142.5 Ų142.582%0.81976%0.758SS**  -157.8133.7107-158.1160.3-168.9153.213.3113.7
195E42.2Very low37.9Very low115 Ų115142.7 Ų142.754%0.53776%0.759SS.*  trans-0.1146.5156.6-48163.5-111.900119.1
196H38.2Very low38.6Very low155 Ų155143 Ų14372%0.71876%0.759SS**  cis-145137.719-47.7-100.6000108.6
197I46.2Very low39.5Very low156 Ų156144.9 Ų144.980%0.876%0.759SS**  60.8103.174.1-54.7176.9000115.7
198E38.1Very low39.1Very low189 Ų189146.6 Ų146.688%0.88377%0.765SS**  -146.1153.7122.1-167.8158.2-136.400109
199V38Very low38.9Very low118 Ų118142.4 Ų142.472%0.71576%0.756SS**  trans-146.3136-166169.50000107.6
200E37.5Very low39.2Very low167 Ų167144.6 Ų144.678%0.7876%0.759SS**  -152.1138.592.7-85.1-175.7168.700111
201E35.6Very low39Very low142 Ų142143.8 Ų143.866%0.66476%0.758SS**  64128.583.6-117.6-146.4143.700113
202K34Very low39.4Very low168 Ų168143 Ų14373%0.7376%0.761SS**  cis-138.3153.428-82.2161.3-174.5165.60114.5
203R37Very low38.8Very low242 Ų242142.1 Ų142.191%0.91376%0.762SS**  trans-94.6142.6163.1-78.1-173.5173.5-152.61.9111.2
204A32.9Very low38.5Very low98 Ų98141.7 Ų141.781%0.8176%0.764SS**  trans-146.7159.1141.600000108.3
205S36.5Very low38.2Very low104 Ų104139.2 Ų139.273%0.72776%0.762SS**  trans-148174.8-169.4-64.80000110.1
206P52.6Low37.6Very low118 Ų118143.2 Ų143.277%0.76677%0.774SS**  trans-99.7-155-147.445.4-41.2000111.4
207P54.5Low37.2Very low110 Ų110140.1 Ų140.171%0.71477%0.769SS**  cis-139.9-162.3-2.128.2-0.8000115.4
208V28.7Very low36.4Very low136 Ų136140.8 Ų140.882%0.82477%0.768SS**  trans91.5136.6155.9-174.30000119
209S37.6Very low36.1Very low106 Ų106136.5 Ų136.574%0.74176%0.759SS**  trans-91.8161.3175-19.80000111.7
210P40.9Very low35.8Very low114 Ų114138.8 Ų138.874%0.7476%0.762SS**  -155.5-174.457.143.4-21.3000117.8
211I32Very low35.7Very low154 Ų154136.5 Ų136.579%0.7976%0.755SS**  trans8.8140.8138.8-58.3164.8000117.3
212P45.1Very low35.9Very low108 Ų108138.3 Ų138.370%0.70176%0.761SS**  cis-139.51792126.3-0.4000118.5
213V33.4Very low35.7Very low141 Ų141141.2 Ų141.286%0.85577%0.767SS**  trans19.4126.2142.1-176.40000121
214S31.6Very low35.8Very low118 Ų118132.9 Ų132.983%0.82575%0.746SS**  trans-152.3153.3136.265.40000112.2
215E30.3Very low36Very low164 Ų164135.2 Ų135.277%0.76674%0.741SS**  trans-108.3-176.4-178.7-168.1-179.5-150.900110.6
216Y28.9Very low35.6Very low200 Ų200136.9 Ų136.978%0.78474%0.737SS**  trans70.9140.4178.1-73.7-114000114.7
217C30.5Very low34.9Very low90 Ų90138.8 Ų138.861%0.60873%0.733SS**  cis-155-178.7-11.4-125.80000107.5
218E28.1Very low33.8Very low169 Ų169141.3 Ų141.379%0.7974%0.735SS**  cis-140-162.27.5-138.6122.2-108.900107
219S33.4Very low34.2Very low99 Ų99139.9 Ų139.969%0.69273%0.731SS**  cis-145.7156.111.459.80000113
220E30.6Very low35Very low166 Ų166140.1 Ų140.178%0.77673%0.73SS**  trans1.3135.8142-62.9-166.1126.900117.1
221N35.7Very low34.4Very low120 Ų120145.6 Ų145.664%0.64274%0.736SS**  cis172.3165.619.156.9133.4000108.1
222K39.4Very low34.6Very low179 Ų179145.8 Ų145.878%0.77873%0.733SS**  cis-150.9160.217.3-69.6-174.2-179.4-170.10112.3
223W29.7Very low33.8Very low229 Ų229144.5 Ų144.587%0.86774%0.74SS**  trans45.4130.7131.5-152.3-91000121.5
224S40.4Very low33.9Very low68 Ų68144.4 Ų144.448%0.47674%0.74SS.*  cis-174.3163.6-10.8-99.40000110.8
225Q35.2Very low34.1Very low147 Ų147144 Ų14469%0.68774%0.737SS**  trans62.6147.5144.4-80.5172.8-78.400119.9
226E28.7Very low34.5Very low138 Ų138141.8 Ų141.865%0.64573%0.73SS**  cis-151.4157.7-8.3-170.5152.417200112
227K38.1Very low34.7Very low159 Ų159140.1 Ų140.169%0.69173%0.729SS**  trans-44.6154.4170.8-48.1165.8-171.4171.30112.6
228H31.3Very low34.9Very low163 Ų163143.8 Ų143.876%0.75574%0.742SS**  -165.9179.659.9-99.2-73.3000113.3
229S38Very low35.2Very low106 Ų106139.7 Ų139.774%0.74174%0.737SS**  trans-102.5-151.1-173.547.70000113.3
230P54.3Low35.1Very low111 Ų111143.1 Ų143.172%0.72174%0.742SS**  -126.8169.6-90.640.1-25000114.7
231W28.5Very low35Very low228 Ų228145.9 Ų145.986%0.86475%0.745SS**  trans-165.6171.6147.4-159.8-109.5000113.1
232E35.1Very low35Very low158 Ų158148.4 Ų148.474%0.73875%0.753SS**  trans-84.6165177.8-58.5166.9105.300113.5
233G29.7Very low35.7Very low81 Ų81144.4 Ų144.484%0.83575%0.745SS**  trans179.8132.4169.700000114.7
234V34.2Very low35.7Very low140 Ų140143.5 Ų143.585%0.84875%0.747SS**  trans-106.8140.1-179.41750000110.6
235S36.8Very low35.6Very low109 Ų109145.4 Ų145.476%0.76276%0.761SS**  trans-171.4107.1147.9-172.40000114.5
236D37.5Very low35.4Very low117 Ų117147.7 Ų147.763%0.62677%0.771SS**  34.6121.3127.1-62.71.6000123.9
237H33.8Very low36.1Very low165 Ų165150.7 Ų150.776%0.76478%0.782SS**  82.3135.6124.4-67.3-32.9000125
238L34.7Very low36.3Very low167 Ų167148.7 Ų148.787%0.87479%0.786SS**  trans97.5134.9136.9-89.6163.8000123.3
239A34.5Very low36.4Very low84 Ų84149.8 Ų149.869%0.69479%0.789SS**  trans86.387.214500000122.7
240H31.2Very low36.1Very low171 Ų171154.8 Ų154.879%0.79279%0.791SS**  65.4133.1108.9-153.4-36.6000121.6
241R28.6Very low35Very low224 Ų224158.6 Ų158.685%0.84580%0.797SS**  trans96.196.1149.5-127.2170.4-173.9165.83119.8
242E34.7Very low35.1Very low173 Ų173154.4 Ų154.481%0.80879%0.788SS**  trans-53.8177.9144-103.4-172.1-149.800114.2
243P54Low35.1Very low95 Ų95154.1 Ų154.162%0.61779%0.787SS**  cis-134.7179-2536.1-20.2000112.5
244K31.1Very low35.3Very low209 Ų209157.5 Ų157.591%0.90978%0.781SS**  trans-174.3158.2130.8-104.3156.2-173.2175.60114.2
245S38.5Very low35.4Very low109 Ų109158.3 Ų158.376%0.76278%0.775SS**  trans-106.3152.3-179.4510000112.2
246Q30.7Very low35.5Very low194 Ų194161.3 Ų161.391%0.90778%0.777SS**  trans-168.3136.5143.1-112.5170-5.700112.8
247K42.9Very low35.5Very low202 Ų202163.6 Ų163.688%0.87878%0.784SS**  trans-104.5140.9160.3-77-177.7175.7179.30108.9
248P42Very low35.3Very low117 Ų117163.6 Ų163.676%0.7678%0.784SS**  trans-146.3166137.835-19.2000113.2
249F32.9Very low35.1Very low186 Ų186160.3 Ų160.382%0.81678%0.775SS**  cis-170.3159.4-33.9-119.9-57.1000109.5
250R32.4Very low35.2Very low210 Ų210168.2 Ų168.279%0.79279%0.788SS**  trans51.4131.1152.8-74.9-176176-110.7-0.6122.2
251K30.3Very low35.1Very low192 Ų192165.4 Ų165.484%0.83579%0.787SS**  -170.6154.7111.4-82.7-155.3-179.4178.60107.6
252M31.6Very low35.6Very low139 Ų139160.9 Ų160.969%0.68579%0.785SS**  cis-164.9157.9-16.4-100.7-60.4-158.300107.8
253Q34.5Very low36.3Very low153 Ų153157.9 Ų157.972%0.71578%0.783SS**  trans61.2150.4173.7-73.6167.2-97.300116.4
254E34Very low35.7Very low152 Ų152158.7 Ų158.771%0.7179%0.791SS**  cis-140.5116.31.6-145.6147.7-123.600105.8
255E37.4Very low36.6Very low157 Ų157155.9 Ų155.973%0.73479%0.786SS**  57.6143.589.7-76.1-176.5-156.200116.3
256E37.5Very low36.6Very low172 Ų172158.3 Ų158.380%0.80479%0.789SS**  cis-178.7163.2-46.1-103.1156.5-120.500107.5
257E37.2Very low37.5Very low165 Ų165153.9 Ų153.977%0.77178%0.775SS**  cis-115.3-91.24.7-151.2-95.77100111.2
258E30.4Very low37.7Very low164 Ų164151.4 Ų151.477%0.76677%0.77SS**  cis-152.7132.2-21-164.3-175.8-139.800111.8
259S30.1Very low37.8Very low98 Ų98150.6 Ų150.669%0.68577%0.768SS**  trans75.3147.1157.478.60000122.6
260W36.3Very low38.5Very low251 Ų251149.3 Ų149.395%0.95177%0.768SS**  trans-91.5134.1160-57.6-44.1000110.5
261S30.5Very low39.1Very low111 Ų111142.9 Ų142.978%0.77675%0.754SS**  trans173.7120.8137.3-82.50000114.9
262T39.5Very low40.3Very low130 Ų130142.2 Ų142.280%0.79876%0.755SS**  trans66.4146.4133.9-50.70000121.3
263S48.4Very low41.4Very low110 Ų110140.7 Ų140.777%0.76975%0.749SS**  trans77.4137.8171.578.70000116.1
264S40.8Very low42.3Very low112 Ų112140.9 Ų140.978%0.78376%0.755SS**  cis-133.7145.3-0.6-67.80000111.3
265D51.1Low43.1Very low150 Ų150141.1 Ų141.180%0.80276%0.76SS**  trans-63.7133.3162.1-61.1-77.8000110.2
266L38.6Very low43.7Very low159 Ų159140.3 Ų140.383%0.83276%0.76SS**  trans-116.971.1156.5-169.865.7000108.7I268L266-I268 PolarHBondContact O-N 3.22Å
267T48.9Very low44Very low101 Ų101139.7 Ų139.762%0.6276%0.761SS**  trans-54.5121.6152.247.80000107.5S269T267-S269 PolarHBondContact O-N 3.27Å
268I47.9Very low44.3Very low150 Ų150140.3 Ų140.377%0.76976%0.764SS**  trans-72.689.2171-56.3175.6000106.5L266 I270L266-I268 PolarHBondContact O-N 3.22Å; I268-I270 VanDerWaalsContact C-N 3.28Å; I268-I270 PolarHBondContact O-N 3.5Å
269S43Very low44.9Very low101 Ų101137.5 Ų137.571%0.70676%0.762SS**  trans-68.689.1174.5-59.30000109.2T267 S271T267-S269 PolarHBondContact O-N 3.27Å; S269-S271 VanDerWaalsContact C-N 3.34Å; S269-S271 PolarHBondContact O-N 3.21Å; S269-S271 VanDerWaalsContact O-N 3.07Å
270I48.6Very low45.6Very low159 Ų159138.6 Ų138.682%0.81577%0.767SS**  trans-61.4101.8152.241.5169.6000107.2I268I268-I270 VanDerWaalsContact C-N 3.28Å; I268-I270 PolarHBondContact O-N 3.5Å
271S44.5Very low45.8Very low74 Ų74134.7 Ų134.752%0.51776%0.759SS.*  trans-64.4134.4160.2156.30000107.5S269 D273S269-S271 VanDerWaalsContact C-N 3.34Å; S269-S271 PolarHBondContact O-N 3.21Å; S269-S271 VanDerWaalsContact O-N 3.07Å; S271-D273 VanDerWaalsContact C-N 3.26Å; S271-D273 WeakPolarHBondContact OG-CB 3.37Å; S271-D273 PolarHBondContact OG-N 3.18Å; S271-D273 PolarHBondContact OG-OD2 3.3Å
272E54.9Low46.5Very low179 Ų179135 Ų13584%0.83676%0.758SS**SBendtrans-89.13.8179.155.6-171.5-168.900112.3
273D54.5Low46.6Very low106 Ų106136.6 Ų136.657%0.56776%0.757SS**SBendtrans-91.5-26.4-163.6-48.4-87.4000113.9S271 L275S271-D273 VanDerWaalsContact C-N 3.26Å; S271-D273 WeakPolarHBondContact OG-CB 3.37Å; S271-D273 PolarHBondContact OG-N 3.18Å; S271-D273 PolarHBondContact OG-OD2 3.3Å; D273-L275 VanDerWaalsContact C-N 3.35Å; D273-L275 PolarHBondContact O-N 3.04Å
274D53.7Low46.4Very low157 Ų157136.7 Ų136.784%0.8476%0.755SS**THydrogen-bonded Turntrans-87.37.5-176.2-86.8-23.1000114.6
275L50.8Low46.2Very low158 Ų158139 Ų13983%0.82776%0.759SS**THydrogen-bonded Turntrans-112.722.7173.8-71.7-179000114.1D273 L277D273-L275 VanDerWaalsContact C-N 3.35Å; D273-L275 PolarHBondContact O-N 3.04Å; L275-L277 PolarHBondContact O-N 3.36Å
276I49.6Very low46Very low140 Ų140137.4 Ų137.472%0.71876%0.757SS**  trans-72.974.7161.4-52.1175.4000108.8E278I276-E278 PolarHBondContact O-N 3.01Å; I276-E278 VanDerWaalsContact O-N 3.08Å
277L44.5Very low46Very low158 Ų158134 Ų13483%0.82776%0.76SS**  trans-67.8102.3155.4-82.6178.4000107.4L275 S279L275-L277 PolarHBondContact O-N 3.36Å; L277-S279 PolarHBondContact O-N 3.24Å
278E44Very low45.1Very low179 Ų179132.6 Ų132.684%0.83677%0.766SS**  trans-34.694.8177.8-171.1174.8-170.100112.8I276 P280I276-E278 PolarHBondContact O-N 3.01Å; I276-E278 VanDerWaalsContact O-N 3.08Å; E278-P280 WeakPolarHBondContact O-CD 3.49Å
279S42.4Very low45.1Very low104 Ų104135.6 Ų135.673%0.72777%0.773SS**PPolyproline II helixtrans-75.8117.4174.250.10000108.4L277 E281L277-S279 PolarHBondContact O-N 3.24Å; S279-E281 PolarHBondContact O-N 3.43Å
280P44.6Very low45.3Very low121 Ų121139.2 Ų139.279%0.78678%0.781SS**PPolyproline II helixtrans-62.2127.5-17423.1-33000110.6E278E278-P280 WeakPolarHBondContact O-CD 3.49Å
281E41.5Very low45Very low169 Ų169141 Ų14179%0.7979%0.786SS**PPolyproline II helixtrans-59.7127.9-168.9-169.2175.2-156.100111.9S279 Q283S279-E281 PolarHBondContact O-N 3.43Å; E281-Q283 PolarHBondContact O-N 2.81Å
282P44.1Very low44.9Very low117 Ų117140.3 Ų140.376%0.7679%0.79SS**  trans-69105.2-177.527-33.6000110.7
283Q43.3Very low44.3Very low164 Ų164141.1 Ų141.177%0.76679%0.794SS**  trans-47.8129.7178.7-73.4-74.6-63.700112E281 N285E281-Q283 PolarHBondContact O-N 2.81Å; Q283-N285 PolarHBondContact O-N 3.27Å; Q283-N285 VanDerWaalsContact O-N 3.15Å
284P43Very low43.4Very low113 Ų113143.9 Ų143.973%0.73481%0.809SS**  trans-70.5112.5178.328.1-33.3000110.3P286P284-P286 WeakPolarHBondContact O-CD 3.4Å
285N36.4Very low43.2Very low160 Ų160139.5 Ų139.586%0.85680%0.8SS**  trans-55.8118.7175.5-96.9-41.4000110.9Q283 G287Q283-N285 PolarHBondContact O-N 3.27Å; Q283-N285 VanDerWaalsContact O-N 3.15Å; N285-G287 PolarHBondContact O-N 3.36Å
286P46.6Very low43Very low117 Ų117140.2 Ų140.276%0.7680%0.803SS**  trans-72.8116.8178.428.8-33000110.1P284 G288P284-P286 WeakPolarHBondContact O-CD 3.4Å; P286-G288 PolarHBondContact O-N 3.03Å
287G38.4Very low42.9Very low87 Ų87141.7 Ų141.790%0.89781%0.807SS**  trans-67.895.7176.900000112.6N285N285-G287 PolarHBondContact O-N 3.36Å
288G31.1Very low42.8Very low72 Ų72139 Ų13974%0.74281%0.808SS**  trans-111.5149.9170.300000111.6P286P286-G288 PolarHBondContact O-N 3.03Å
289K48.5Very low42.7Very low212 Ų212138.8 Ų138.892%0.92281%0.811SS**  trans-119.2118.7-171.9-55.2-178.3-172.4-179.90112.8
290M45.8Very low42.9Very low178 Ų178142.6 Ų142.688%0.87782%0.815SS**  trans-157.3130.4143.355-165.6-175.600105.8
291E43.8Very low43Very low197 Ų197144.5 Ų144.592%0.92182%0.817SS**  cis72.4127.148.5-168.4169.6-125.900112
292G41.8Very low42.9Very low58 Ų58144.3 Ų144.360%0.59882%0.82SS**  trans95.985.8167.900000117.8
293E41.5Very low42.6Very low197 Ų197147.7 Ų147.792%0.92183%0.825SS**  trans65.7169.3131.8-69.9159.9125.300122
294D36.6Very low42.6Very low164 Ų164144.6 Ų144.688%0.87783%0.828SS**  trans32.7113.2-176.8-79.3-3.5000121.2
295G48.2Very low42.4Very low64 Ų64147.9 Ų147.966%0.6683%0.833SS**  trans-83.1-17115400000112.4
296I46.9Very low42.5Very low174 Ų174149.2 Ų149.289%0.89284%0.835SS**  trans76.959.8179.7-35.1163.5000115.3
297E47.8Very low42Very low170 Ų170152.3 Ų152.379%0.79484%0.839SS**  trans-150.25.6147.1-125.8175.5-143.500117.4L299E297-L299 VanDerWaalsContact C-N 3.27Å; E297-L299 PolarHBondContact O-N 2.96Å
298A42.6Very low42.3Very low102 Ų102159.2 Ų159.284%0.84384%0.838SS**  trans-78.332.4-170.400000117
299L42.3Very low42.6Very low175 Ų175162.5 Ų162.592%0.91684%0.843SS**  trans-13850.7-179.7-74.5178.7000113.5E297E297-L299 VanDerWaalsContact C-N 3.27Å; E297-L299 PolarHBondContact O-N 2.96Å
300K46.2Very low42.3Very low184 Ų184156.5 Ų156.580%0.883%0.833SS**  trans-140.218.4-177.4-119.9177.3-173.6174.50116.8
301L46Very low41.8Very low161 Ų161155.8 Ų155.884%0.84383%0.832SS**  trans-136.762-175.8-162.270.7000114.7
302I39.8Very low41.5Very low165 Ų165152.3 Ų152.385%0.84683%0.829SS**  trans-139.884.7157.4-51178.3000108.9
303H38.8Very low41.3Very low187 Ų187155 Ų15587%0.86683%0.834SS**  trans-162.230.9163.2-126-71.3000114.4
304A42.8Very low40.6Very low100 Ų100153.7 Ų153.783%0.82683%0.828SS**  trans-121.734.2-169.800000114.3
305E39.6Very low41Very low181 Ų181154.8 Ų154.885%0.84683%0.825SS**SBendtrans-139.443177.1-156.3171.8-155.800113.5
306Q37.3Very low40.3Very low188 Ų188159.6 Ų159.688%0.87984%0.836SS**SBendtrans-142.540.7172-154.1170.3-2.100114.4
307E36.5Very low39.5Very low182 Ų182156.8 Ų156.885%0.8583%0.83SS**  trans-143.763171.1-161.9179.2-174.500111.9
308R44.1Very low39.1Very low232 Ų232156.9 Ų156.988%0.87583%0.834SS**  trans-141.135.9173.5-80-148.5-76.7-121.92.4115.4
309V37.1Very low38.7Very low142 Ų142159 Ų15986%0.86183%0.831SS**SBendtrans-141.5127.5160.9-175.10000109.3
310A43.1Very low38.1Very low85 Ų85159.3 Ų159.370%0.70283%0.827SS**  trans61.5142.8-167.700000113.5
311L34.1Very low37.2Very low164 Ų164155.5 Ų155.586%0.85982%0.82SS**  cis-115.7145.416-68.6159.3000113
312S38.6Very low36.4Very low123 Ų123155.2 Ų155.286%0.8682%0.819SS**  trans-11586.6173.460.60000111.2
313T37.5Very low35.9Very low115 Ų115151.9 Ų151.971%0.70681%0.81SS**  trans-137.8111.4177.4-38.40000112.5
314E26.9Very low35.7Very low170 Ų170148.5 Ų148.579%0.79481%0.807SS**  trans54.481.6141.9-155.4141-136.900120.2
315K44.3Very low35.6Very low187 Ų187149.9 Ų149.981%0.81381%0.808SS**  trans12.6117.5132.2-57.9172.3-175.7172.40117.2
316N33.9Very low35Very low164 Ų164148.9 Ų148.988%0.87781%0.808SS**  trans-147.991.7138-98.8-56.2000110
317C30.1Very low34.8Very low115 Ų115144.4 Ų144.478%0.77780%0.797SS**  trans-92.2114.1177.6-56.90000110
318I39.5Very low34.6Very low172 Ų172143 Ų14388%0.88279%0.791SS**  trans-114.2110154.7-61.5-178.6000106.3
319L34.9Very low34.1Very low146 Ų146139 Ų13976%0.76478%0.78SS**  trans-78.6179.4173.9-68.9169.7000110.2
320Q28.5Very low33.7Very low182 Ų182139.1 Ų139.185%0.8577%0.771SS**  trans81.5139.1164-58.2-169.7-1.600114.5
321T28.3Very low33.1Very low104 Ų104140.8 Ų140.864%0.63878%0.778SS**  cis-166.5139.80.4-1220000112.8
322L28.9Very low33Very low156 Ų156137.6 Ų137.682%0.81777%0.769SS**  trans59.4158.7161.8-57.2171.4000116.4
323S29.1Very low32.7Very low95 Ų95137 Ų13766%0.66476%0.76SS**  cis-161.8160.1-20.1-104.50000108.7
324S35.5Very low32.4Very low116 Ų116139.2 Ų139.281%0.81177%0.768SS**  trans-64.8159.5157.3-48.30000110.7
325P38.9Very low32.7Very low128 Ų128135.2 Ų135.283%0.83176%0.764SS**  -125158.2117.736.1-33.1000113.1
326D28.1Very low32.5Very low161 Ų161131.6 Ų131.686%0.86176%0.759SS**  trans-95.6-175.2173.6-163-3.8000109.9
327S32.4Very low32.2Very low93 Ų93129.8 Ų129.865%0.6575%0.754SS**  trans92.599.9163.4-153.40000118.7
328E33.1Very low32.3Very low154 Ų154135.9 Ų135.972%0.7276%0.761SS**  60.5141.3124.7-68.2-164.1-155.900124.4
329K32.9Very low32Very low148 Ų148135.7 Ų135.764%0.64376%0.756SS**  trans84.2117.9141.3-81.7166.9170.6-78.30122.2
330E29.3Very low32.2Very low144 Ų144134.8 Ų134.867%0.67376%0.759SS**  69.7106.3129.4-69.4169.6-147.100120.9
331S30.1Very low32.1Very low120 Ų120129.1 Ų129.184%0.83975%0.75SS**  trans71.7170.3135.888.20000116.2
332S31.5Very low32.1Very low96 Ų96133.7 Ų133.767%0.67176%0.764SS**  cis-154.2146.9-34166.60000107.1
333T32.2Very low32.4Very low112 Ų112132.4 Ų132.469%0.68776%0.763SS**  trans21.1108.5152.7-32.50000117.9
334N31.7Very low33Very low161 Ų161133.7 Ų133.786%0.86177%0.769SS**  179142.4116.1-92.3-52.7000113
335A33.7Very low33Very low85 Ų85134.6 Ų134.670%0.70276%0.764SS**  trans-92.9-175.316200000108.4
336P40Very low32.8Very low112 Ų112133.4 Ų133.473%0.72776%0.759SS**  cis-149.5-175.613.646.9-27.2000118.1
337T28Very low33.2Very low126 Ų126133 Ų13377%0.77376%0.757SS**  trans59.3108147.7-52.50000120.3
338R32.1Very low33.6Very low242 Ų242134.2 Ų134.291%0.91376%0.76SS**  -170.2111.5120-107.7170.3-174.8151.63.1114.4
339E32.9Very low33.9Very low168 Ų168132.1 Ų132.179%0.78576%0.76SS**  trans-75.1171.3146.6-72.3-62149.500109.7
340P39.1Very low34.5Very low127 Ų127137.5 Ų137.583%0.82578%0.776SS**  cis-132.1171.89.942.1-26.6000116.2
341G25.8Very low35.4Very low63 Ų63133.6 Ų133.665%0.64977%0.769SS**  trans-17357.7174.600000120.8
342Q29.2Very low36.1Very low201 Ų201134.5 Ų134.594%0.93976%0.76SS**  trans60.7135.5159.8-62.3179.3-98.700120.1
343T34.4Very low36.7Very low129 Ų129136 Ų13679%0.79176%0.764SS**  trans-81.8164.8164.557.10000110.7
344P42.7Very low37.3Very low122 Ų122133.2 Ų133.279%0.79276%0.758SS**  -132135.98136.5-25.2000115
345D34.8Very low38.1Very low134 Ų134131.5 Ų131.572%0.71775%0.745SS**  32.7122.4127.1-148.7-12.8000120.2
346S35.4Very low38.5Very low104 Ų104133.5 Ų133.573%0.72774%0.74SS**  trans-159.174.7169.2-171.20000110.1V348S346-V348 PolarHBondContact O-N 3.03Å; S346-V348 VanDerWaalsContact O-N 3.11Å
347D36Very low38.7Very low153 Ų153133.2 Ų133.282%0.81874%0.736SS**  trans-61.6106.3171.9-98.2-25.7000111.3
348V41Very low39.8Very low117 Ų117129.9 Ų129.971%0.70972%0.721SS**  trans-103.7112173.2179.60000109.6S346 R350S346-V348 PolarHBondContact O-N 3.03Å; S346-V348 VanDerWaalsContact O-N 3.11Å; V348-R350 PolarHBondContact O-N 2.79Å; V348-R350 VanDerWaalsContact O-N 3.07Å
349P39.8Very low40.7Very low111 Ų111121.3 Ų121.372%0.72170%0.696SS**  trans-73.5105.1-173.828.2-34.4000111.9A351P349-A351 PolarHBondContact O-N 2.79Å
350R45.5Very low41.3Very low260 Ų260119 Ų11998%0.98169%0.688SS**THydrogen-bonded Turntrans-72.860.5176.2-162.9-172.4-171.8-154.73.1112.4V348V348-R350 PolarHBondContact O-N 2.79Å; V348-R350 VanDerWaalsContact O-N 3.07Å
351A46.5Very low41.7Very low63 Ų63120 Ų12052%0.52168%0.679SS.*THydrogen-bonded Turntrans-121-36.4-171.600000115.2P349 V353P349-A351 PolarHBondContact O-N 2.79Å; A351-V353 PolarHBondContact O-N 3.08Å
352Q45.5Very low42.8Very low138 Ų138123.8 Ų123.865%0.64568%0.68SS**THydrogen-bonded Turntrans-72.6-30.3-166.7-78.6178.4-26.600115.4G354 Q355 H356Q352-G354 PolarHBondContact O-N 3.12Å; Q352-G354 VanDerWaalsContact O-N 3.12Å; Q352-Q355 PolarHBondContact O-N 3.09Å; Q352-H356 PolarHBondContact O-CD2 3.32Å; Q352-H356 VanDerWaalsContact O-CD2 3.28Å
353V43.7Very low43.8Very low127 Ų127120.2 Ų120.277%0.7766%0.663SS**Hα-helixtrans-60.1-28.3-177.8-176.80000112.3A351A351-V353 PolarHBondContact O-N 3.08Å
354G45.4Very low44.5Very low54 Ų54119.4 Ų119.456%0.55765%0.654SS**Hα-helixtrans-75.7-25.817600000114.8Q352Q352-G354 PolarHBondContact O-N 3.12Å; Q352-G354 VanDerWaalsContact O-N 3.12Å
355Q48.9Very low45.1Very low125 Ų125118 Ų11858%0.58464%0.64SS**Hα-helixtrans-77-43.7-174.8-72.5-178.1-52.900112.3Q352 V357 A358 T359Q352-Q355 PolarHBondContact O-N 3.09Å; Q355-V357 VanDerWaalsContact C-N 3.27Å; Q355-V357 PolarHBondContact O-N 3.49Å; Q355-A358 WeakPolarHBondContact O-CB 3.49Å; Q355-A358 PolarHBondContact O-N 2.94Å; Q355-A358 VanDerWaalsContact O-N 3.07Å; Q355-T359 PolarHBondContact O-N 3.34Å; Q355-T359 PolarHBondContact O-OG1 2.78Å
356H41Very low46.2Very low128 Ų128115 Ų11559%0.59363%0.629SS**Hα-helixtrans-63.6-30.3-177.7-61-67.9000113.6Q352 T359 L360Q352-H356 PolarHBondContact O-CD2 3.32Å; Q352-H356 VanDerWaalsContact O-CD2 3.28Å; H356-T359 PolarHBondContact O-OG1 2.93Å; H356-L360 PolarHBondContact O-N 3.06Å
357V45.9Very low47.2Very low106 Ų106114.8 Ų114.864%0.64262%0.623SS**Hα-helixtrans-75.1-32.6175.3-179.30000111.7Q355Q355-V357 VanDerWaalsContact C-N 3.27Å; Q355-V357 PolarHBondContact O-N 3.49Å
358A50Low48.5Very low55 Ų55114.3 Ų114.346%0.45561%0.614SS.*Hα-helixtrans-71.1-47.1175.800000111.7Q355 L360 K361 E362Q355-A358 WeakPolarHBondContact O-CB 3.49Å; Q355-A358 PolarHBondContact O-N 2.94Å; Q355-A358 VanDerWaalsContact O-N 3.07Å; A358-L360 PolarHBondContact O-N 3.25Å; A358-K361 PolarHBondContact O-N 3.09Å; A358-K361 VanDerWaalsContact O-N 3.17Å; A358-E362 PolarHBondContact O-N 3.14Å; A358-E362 VanDerWaalsContact O-N 3.14Å
359T50.1Low49.6Very low63 Ų63115.8 Ų115.839%0.38761%0.613SS.*Hα-helixtrans-63.3-39.8-178.251.40000112.7Q355 H356 K361 E362 H363Q355-T359 PolarHBondContact O-N 3.34Å; Q355-T359 PolarHBondContact O-OG1 2.78Å; H356-T359 PolarHBondContact O-OG1 2.93Å; T359-K361 VanDerWaalsContact C-N 3.25Å; T359-K361 PolarHBondContact O-N 3.01Å; T359-E362 PolarHBondContact O-N 3.38Å; T359-H363 PolarHBondContact O-CD2 2.98Å; T359-H363 PolarHBondContact O-N 2.91Å
360L46.3Very low50.7Low118 Ų118116.2 Ų116.262%0.61861%0.606SS**Hα-helixtrans-58.2-42.1176.6-161.678.4000111H356 A358 H363 D364H356-L360 PolarHBondContact O-N 3.06Å; A358-L360 PolarHBondContact O-N 3.25Å; L360-H363 PolarHBondContact O-N 3.01Å; L360-D364 PolarHBondContact O-N 3.05Å
361K47Very low51.5Low149 Ų149106.2 Ų106.265%0.64858%0.578SS**Hα-helixtrans-72.3-26.4-179-168.4172.5-179.2177.70113.7A358 T359 N365A358-K361 PolarHBondContact O-N 3.09Å; A358-K361 VanDerWaalsContact O-N 3.17Å; T359-K361 VanDerWaalsContact C-N 3.25Å; T359-K361 PolarHBondContact O-N 3.01Å; K361-N365 PolarHBondContact O-ND2 3.3Å
362E49.7Very low52.4Low143 Ų143106.1 Ų106.167%0.66857%0.571SS**Hα-helixtrans-72.1-39.9170.8-76.7-171.1128.100111.9A358 T359 D364 N365 S366A358-E362 PolarHBondContact O-N 3.14Å; A358-E362 VanDerWaalsContact O-N 3.14Å; T359-E362 PolarHBondContact O-N 3.38Å; E362-D364 PolarHBondContact O-N 3.16Å; E362-N365 PolarHBondContact O-N 2.95Å; E362-S366 PolarHBondContact O-N 2.96Å
363H49.3Very low53.5Low125 Ų125102.1 Ų102.158%0.57956%0.562SS**Hα-helixtrans-60.9-43.1178.2-68.4-55.4000112.6T359 L360 N365 S366 V367T359-H363 PolarHBondContact O-CD2 2.98Å; T359-H363 PolarHBondContact O-N 2.91Å; L360-H363 PolarHBondContact O-N 3.01Å; H363-N365 VanDerWaalsContact C-N 3.26Å; H363-N365 PolarHBondContact O-N 3.17Å; H363-S366 PolarHBondContact O-N 3.27Å; H363-V367 WeakPolarHBondContact O-CG2 3.39Å; H363-V367 PolarHBondContact O-N 3.02Å; H363-V367 VanDerWaalsContact O-N 3.08Å
364D50.4Low54.5Low112 Ų112101 Ų10160%0.59955%0.551SS**Hα-helixtrans-59-34.3175.6-74.8-23.7000113.3L360 E362 K368L360-D364 PolarHBondContact O-N 3.05Å; E362-D364 PolarHBondContact O-N 3.16Å; D364-K368 WeakPolarHBondContact O-CB 3.39Å; D364-K368 PolarHBondContact O-N 3.36Å
365N55.7Low55.6Low94 Ų94104.1 Ų104.150%0.50355%0.554SS.*Hα-helixtrans-80.3-37.9178.8-74.5-74.4000111.9K361 E362 H363 K368 E369K361-N365 PolarHBondContact O-ND2 3.3Å; E362-N365 PolarHBondContact O-N 2.95Å; H363-N365 VanDerWaalsContact C-N 3.26Å; H363-N365 PolarHBondContact O-N 3.17Å; N365-K368 PolarHBondContact O-N 3.49Å; N365-E369 PolarHBondContact O-N 3.08Å
366S56.8Low56.5Low71 Ų71107 Ų10750%0.49756%0.56SS.*Hα-helixtrans-61.1-50176.9-173.50000112.2E362 H363 K368 E369 E370E362-S366 PolarHBondContact O-N 2.96Å; H363-S366 PolarHBondContact O-N 3.27Å; S366-K368 VanDerWaalsContact C-N 3.26Å; S366-K368 PolarHBondContact O-N 3.44Å; S366-E369 PolarHBondContact O-N 3.17Å; S366-E370 PolarHBondContact O-N 2.76Å
367V57.1Low57.6Low98 Ų98107.7 Ų107.759%0.59456%0.561SS**Hα-helixtrans-62-36178.9174.20000111.4H363 A371H363-V367 WeakPolarHBondContact O-CG2 3.39Å; H363-V367 PolarHBondContact O-N 3.02Å; H363-V367 VanDerWaalsContact O-N 3.08Å; V367-A371 WeakPolarHBondContact O-CB 3.42Å; V367-A371 PolarHBondContact O-N 2.87Å
368K63.5Low58.2Low143 Ų143105.5 Ų105.562%0.62255%0.554SS**Hα-helixtrans-67.1-41.9176.4-175.7178.9179.8-179.30112.3D364 N365 S366 T372D364-K368 WeakPolarHBondContact O-CB 3.39Å; D364-K368 PolarHBondContact O-N 3.36Å; N365-K368 PolarHBondContact O-N 3.49Å; S366-K368 VanDerWaalsContact C-N 3.26Å; S366-K368 PolarHBondContact O-N 3.44Å; K368-T372 WeakPolarHBondContact O-CG2 3.42Å; K368-T372 PolarHBondContact O-N 3.15Å
369E63.4Low58.4Low148 Ų148109.3 Ų109.369%0.69257%0.566SS**Hα-helixtrans-66.8-46.5177.1-172.5163.3-14800111.1N365 S366 A371 T372 A373N365-E369 PolarHBondContact O-N 3.08Å; S366-E369 PolarHBondContact O-N 3.17Å; E369-A371 PolarHBondContact O-N 3.29Å; E369-T372 PolarHBondContact O-N 2.88Å; E369-T372 PolarHBondContact O-OG1 3.07Å; E369-A373 PolarHBondContact O-N 2.76Å
370E62.8Low58.5Low121 Ų121111.2 Ų111.257%0.56558%0.578SS**Hα-helixtrans-56.9-45.9177.4-173.4173.8-172.500112.2S366 T372 A373 L374S366-E370 PolarHBondContact O-N 2.76Å; E370-T372 VanDerWaalsContact C-N 3.31Å; E370-T372 PolarHBondContact O-N 3.17Å; E370-A373 WeakPolarHBondContact O-CB 3.44Å; E370-A373 PolarHBondContact O-N 3.46Å; E370-A373 VanDerWaalsContact O-N 3.14Å; E370-L374 HydrophobicContact CG-CD1 4.27Å; E370-L374 WeakPolarHBondContact O-CG 3.5Å; E370-L374 PolarHBondContact O-N 3.31Å
371A62.8Low58.7Low49 Ų49111.6 Ų111.641%0.40558%0.576SS.*Hα-helixtrans-59-39.2175.400000112.8V367 E369 L375V367-A371 WeakPolarHBondContact O-CB 3.42Å; V367-A371 PolarHBondContact O-N 2.87Å; E369-A371 PolarHBondContact O-N 3.29Å; A371-L375 PolarHBondContact O-N 3.49Å; A371-L375 VanDerWaalsContact O-N 3.09Å
372T65.8Low58.6Low62 Ų62110.3 Ų110.338%0.3857%0.572SS.*Hα-helixtrans-72.7-30.517665.10000113.4K368 E369 E370 R376K368-T372 WeakPolarHBondContact O-CG2 3.42Å; K368-T372 PolarHBondContact O-N 3.15Å; E369-T372 PolarHBondContact O-N 2.88Å; E369-T372 PolarHBondContact O-OG1 3.07Å; E370-T372 VanDerWaalsContact C-N 3.31Å; E370-T372 PolarHBondContact O-N 3.17Å; T372-R376 WeakPolarHBondContact O-CG 3.37Å; T372-R376 PolarHBondContact O-N 2.93Å; T372-R376 VanDerWaalsContact O-N 3.09Å
373A66.9Low58.5Low54 Ų54107.5 Ų107.545%0.44657%0.568SS.*Hα-helixtrans-68-43.2173.700000111.3E369 E370 R376 K377E369-A373 PolarHBondContact O-N 2.76Å; E370-A373 WeakPolarHBondContact O-CB 3.44Å; E370-A373 PolarHBondContact O-N 3.46Å; E370-A373 VanDerWaalsContact O-N 3.14Å; A373-R376 PolarHBondContact O-N 3.17Å; A373-K377 PolarHBondContact O-N 3.47Å
374L66.3Low58.4Low104 Ų104104.8 Ų104.855%0.54557%0.573SS.*Hα-helixtrans-62.2-43.4175.3-69.3171.4000112E370 R376 K377 A378E370-L374 HydrophobicContact CG-CD1 4.27Å; E370-L374 WeakPolarHBondContact O-CG 3.5Å; E370-L374 PolarHBondContact O-N 3.31Å; L374-R376 PolarHBondContact O-N 2.83Å; L374-K377 PolarHBondContact O-N 3.01Å; L374-A378 PolarHBondContact O-N 3.04Å
375L67.9Low58.2Low119 Ų119109.6 Ų109.662%0.62358%0.583SS**Hα-helixtrans-60.5-43.7174.2-81.7166.7000112.8A371 K377 A378 L379A371-L375 PolarHBondContact O-N 3.49Å; A371-L375 VanDerWaalsContact O-N 3.09Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 2.89Å; L375-A378 PolarHBondContact O-N 3.31Å; L375-L379 PolarHBondContact O-N 3.2Å
376R67.4Low57.9Low186 Ų186114.4 Ų114.470%0.70260%0.595SS**Hα-helixtrans-63.6-35.3176.1-75.8172.9174163.5-0.6112.6T372 A373 L374 T380T372-R376 WeakPolarHBondContact O-CG 3.37Å; T372-R376 PolarHBondContact O-N 2.93Å; T372-R376 VanDerWaalsContact O-N 3.09Å; A373-R376 PolarHBondContact O-N 3.17Å; L374-R376 PolarHBondContact O-N 2.83Å; R376-T380 PolarHBondContact O-N 3.05Å; R376-T380 PolarHBondContact O-OG1 3.42Å
377K63.7Low57.6Low142 Ų142116.3 Ų116.362%0.61761%0.608SS**Hα-helixtrans-68.5-44.2175.4-170.2179.5177.4-174.60111.9A373 L374 L375 T380 E381A373-K377 PolarHBondContact O-N 3.47Å; L374-K377 PolarHBondContact O-N 3.01Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 2.89Å; K377-T380 PolarHBondContact O-N 3.15Å; K377-T380 PolarHBondContact O-OG1 2.77Å; K377-E381 PolarHBondContact O-N 3.37Å
378A59Low57.2Low59 Ų59115.4 Ų115.449%0.48861%0.61SS.*Hα-helixtrans-61.1-45.1175.400000112.2L374 L375 T380 E381 E382L374-A378 PolarHBondContact O-N 3.04Å; L375-A378 PolarHBondContact O-N 3.31Å; A378-T380 VanDerWaalsContact C-N 3.26Å; A378-T380 PolarHBondContact O-N 3.33Å; A378-E381 PolarHBondContact O-N 3.32Å; A378-E382 PolarHBondContact O-N 3.24Å
379L54.4Low56.2Low135 Ų135115.9 Ų115.971%0.70762%0.618SS**Hα-helixtrans-63.6-30.4-179.7-132.393.2000113.4L375L375-L379 PolarHBondContact O-N 3.2Å
380T52.7Low55.1Low103 Ų103116.5 Ų116.563%0.63262%0.621SS**Hα-helixtrans-82-25178.2400000112.9R376 K377 A378R376-T380 PolarHBondContact O-N 3.05Å; R376-T380 PolarHBondContact O-OG1 3.42Å; K377-T380 PolarHBondContact O-N 3.15Å; K377-T380 PolarHBondContact O-OG1 2.77Å; A378-T380 VanDerWaalsContact C-N 3.26Å; A378-T380 PolarHBondContact O-N 3.33Å
381E50.5Low53.9Low127 Ų127116.4 Ų116.459%0.59363%0.633SS**Hα-helixtrans-74.3-40.4173.7-168.4171.1164.500112.5K377 A378 C383 G384K377-E381 PolarHBondContact O-N 3.37Å; A378-E381 PolarHBondContact O-N 3.32Å; E381-C383 PolarHBondContact O-N 3.17Å; E381-G384 PolarHBondContact O-N 3.33Å
382E44.2Very low53.1Low121 Ų121119.1 Ų119.157%0.56565%0.649SS**Hα-helixtrans-65-41.3179.1-168.5-178.3169.100112.3A378 G384 R385 R386A378-E382 PolarHBondContact O-N 3.24Å; E382-G384 PolarHBondContact O-N 3.01Å; E382-G384 VanDerWaalsContact O-N 3.17Å; E382-R385 PolarHBondContact O-N 3.14Å; E382-R386 IonicContact OE1-NH1 3.5Å
383C47Very low52.3Low84 Ų84125.1 Ų125.157%0.56867%0.673SS**Hα-helixtrans-58.7-30.8-178.5-1680000113E381 R385E381-C383 PolarHBondContact O-N 3.17Å; C383-R385 VanDerWaalsContact C-N 3.28Å; C383-R385 PolarHBondContact O-N 3.17Å
384G49Very low51Low68 Ų68127.2 Ų127.270%0.70169%0.685SS**THydrogen-bonded Turntrans-70.9-12.1-178.900000115.8E381 E382E381-G384 PolarHBondContact O-N 3.33Å; E382-G384 PolarHBondContact O-N 3.01Å; E382-G384 VanDerWaalsContact O-N 3.17Å
385R46.4Very low49.7Very low214 Ų214127.2 Ų127.281%0.80869%0.693SS**THydrogen-bonded Turntrans-113.41.7-172-68.6-172.3-178.2-101.75.6116E382 C383E382-R385 PolarHBondContact O-N 3.14Å; C383-R385 VanDerWaalsContact C-N 3.28Å; C383-R385 PolarHBondContact O-N 3.17Å
386R48.2Very low48.1Very low195 Ų195126.7 Ų126.774%0.73670%0.698SS**THydrogen-bonded Turntrans-122.8-11.8-179.3-75.5-178.2164.8171.7-6.7115.8E382 A388E382-R386 IonicContact OE1-NH1 3.5Å; R386-A388 VanDerWaalsContact C-N 3.27Å; R386-A388 PolarHBondContact O-N 3.27Å
387S51.3Low47Very low110 Ų110123.2 Ų123.277%0.76970%0.702SS**  trans-8164.8-179.2-60.10000112.9
388A47.3Very low46.1Very low79 Ų79124 Ų12465%0.65371%0.713SS**  trans-133.912.8179.700000114.4R386 H390R386-A388 VanDerWaalsContact C-N 3.27Å; R386-A388 PolarHBondContact O-N 3.27Å; A388-H390 PolarHBondContact O-ND1 3.07Å
389I42.7Very low45.2Very low153 Ų153126.9 Ų126.979%0.78573%0.727SS**  trans-88.8115.5167.7-56.4-178.9000108.3S391I389-S391 PolarHBondContact O-N 2.7Å
390H40.4Very low44.4Very low161 Ų161125.6 Ų125.675%0.74573%0.728SS**  trans-83.897.5-17425.6-85.5000109.6A388 S392A388-H390 PolarHBondContact O-ND1 3.07Å; H390-S392 VanDerWaalsContact C-N 3.32Å; H390-S392 PolarHBondContact O-N 3.48Å
391S38Very low44.2Very low119 Ų119128.6 Ų128.683%0.83274%0.739SS**  trans-6787.1171.9-60.80000110.7I389I389-S391 PolarHBondContact O-N 2.7Å
392S46Very low43.7Very low106 Ų106129 Ų12974%0.74175%0.745SS**  trans-67134.3169.949.40000110.6H390 S394H390-S392 VanDerWaalsContact C-N 3.32Å; H390-S392 PolarHBondContact O-N 3.48Å; S392-S394 PolarHBondContact O-N 2.81Å
393E49.5Very low43.6Very low188 Ų188129.2 Ų129.288%0.87975%0.749SS**  trans-67.694.1177.1-67.6176.7105.100110.7S395E393-S395 PolarHBondContact O-N 2.82Å
394S39.3Very low43.4Very low99 Ų99131.7 Ų131.769%0.69276%0.757SS**  trans-76.885.2172.81780000110.5S392 C396S392-S394 PolarHBondContact O-N 2.81Å; S394-C396 PolarHBondContact O-N 2.85Å
395S38.7Very low43.3Very low103 Ų103135 Ų13572%0.7276%0.759SS**  trans-62.890.4175.6-62.30000112.3E393 S397E393-S395 PolarHBondContact O-N 2.82Å; S395-S397 VanDerWaalsContact C-N 3.27Å; S395-S397 PolarHBondContact O-N 3.23Å
396C34.7Very low43.1Very low108 Ų108129.6 Ų129.673%0.7375%0.754SS**  trans-71.279.9172.7-70.10000111.3S394 L398S394-C396 PolarHBondContact O-N 2.85Å; C396-L398 PolarHBondContact O-N 2.89Å; C396-L398 VanDerWaalsContact O-N 3.08Å
397S43.5Very low43Very low113 Ų113124.4 Ų124.479%0.7976%0.761SS**  trans-59.6108.8168.9-63.70000110.2S395S395-S397 VanDerWaalsContact C-N 3.27Å; S395-S397 PolarHBondContact O-N 3.23Å
398L45.8Very low42.7Very low160 Ų160126.9 Ų126.984%0.83876%0.764SS**PPolyproline II helixtrans-61.4136.7172.1-65.5174000109.7C396 S400C396-L398 PolarHBondContact O-N 2.89Å; C396-L398 VanDerWaalsContact O-N 3.08Å; L398-S400 PolarHBondContact O-N 3.46Å
399P39Very low42.8Very low119 Ų119132.5 Ų132.577%0.77377%0.774SS**PPolyproline II helixtrans-64.8121.217426.9-33000109.3I401P399-I401 PolarHBondContact O-N 3.37Å; P399-I401 VanDerWaalsContact O-N 3.17Å
400S39.4Very low43Very low107 Ų107135 Ų13575%0.74878%0.782SS**PPolyproline II helixtrans-64.3116.3175.452.30000109.9L398 L402L398-S400 PolarHBondContact O-N 3.46Å; S400-L402 PolarHBondContact O-N 3.01Å
401I46.8Very low43.1Very low166 Ų166131.8 Ų131.885%0.85178%0.783SS**  trans-63104.4170.1-64.8174.3000107.5P399 N403P399-I401 PolarHBondContact O-N 3.37Å; P399-I401 VanDerWaalsContact O-N 3.17Å; I401-N403 PolarHBondContact O-N 3.5Å; I401-N403 VanDerWaalsContact O-N 3.11Å
402L40.5Very low43.2Very low136 Ų136135.6 Ų135.671%0.71279%0.785SS**  trans-77.6100-177.2-149.1171.8000108.4S400 D404S400-L402 PolarHBondContact O-N 3.01Å; L402-D404 HydrophobicContact CD2-CB 4.25Å; L402-D404 WeakPolarHBondContact CD2-OD2 3.3Å; L402-D404 PolarHBondContact O-N 3Å
403N42.1Very low43Very low125 Ų125136.9 Ų136.967%0.66879%0.791SS**  trans-75.866.3-176.6179.136.2000112.3I401 N405I401-N403 PolarHBondContact O-N 3.5Å; I401-N403 VanDerWaalsContact O-N 3.11Å; N403-N405 PolarHBondContact O-ND2 3.04Å; N403-N405 VanDerWaalsContact O-ND2 3.15Å; N403-N405 PolarHBondContact OD1-ND2 3.05Å
404D42.8Very low42.5Very low137 Ų137132.5 Ų132.573%0.73379%0.787SS**  trans-88.9117.5171.6-98.8-34.8000111.5L402 S406L402-D404 HydrophobicContact CD2-CB 4.25Å; L402-D404 WeakPolarHBondContact CD2-OD2 3.3Å; L402-D404 PolarHBondContact O-N 3Å; D404-S406 PolarHBondContact O-N 2.83Å
405N47.9Very low42.4Very low137 Ų137134.1 Ų134.173%0.73379%0.792SS**  trans-96.290-171.7-75.7-100.7000110.8N403N403-N405 PolarHBondContact O-ND2 3.04Å; N403-N405 VanDerWaalsContact O-ND2 3.15Å; N403-N405 PolarHBondContact OD1-ND2 3.05Å
406S41.6Very low42Very low101 Ų101140 Ų14071%0.70680%0.799SS**  trans-142.4123.6164.665.10000111.3D404D404-S406 PolarHBondContact O-N 2.83Å
407G46.2Very low42.1Very low86 Ų86142.5 Ų142.589%0.88780%0.804SS**  trans-77.7132.8-171.300000113.3
408I44.6Very low41.6Very low162 Ų162143.9 Ų143.983%0.83180%0.802SS**  trans-129.7155168.4-20.4179.9000109.1
409K48.7Very low41.3Very low197 Ų197141.4 Ų141.486%0.85780%0.798SS**  trans-81.8163-160.6-59.3175.5-177177.10113.1A411K409-A411 PolarHBondContact O-N 2.94Å
410E47.7Very low41.2Very low205 Ų205141.6 Ų141.696%0.95880%0.797SS**  trans-49.1131.4174.6-66.2-177.6116.200112.6
411A41.5Very low41.4Very low93 Ų93142.1 Ų142.177%0.76980%0.798SS**  trans-131.8150.4167.500000109K409K409-A411 PolarHBondContact O-N 2.94Å
412K41.3Very low41.1Very low199 Ų199139.6 Ų139.687%0.86579%0.791SS**PPolyproline II helixtrans-59.3143.2-170.3-60.5168-176.3174.30111.6A414K412-A414 PolarHBondContact O-N 3.42Å
413P42.3Very low41.5Very low133 Ų133144.4 Ų144.486%0.86480%0.799SS**PPolyproline II helixtrans-61.1129.8174.626.4-34000110.4
414A37.2Very low42Very low97 Ų97146.4 Ų146.480%0.80281%0.805SS**PPolyproline II helixtrans-77.7159.2177.600000111.7K412 W416K412-A414 PolarHBondContact O-N 3.42Å; A414-W416 PolarHBondContact O-N 3.24Å
415V37.7Very low42.7Very low132 Ų132148.2 Ų148.280%0.881%0.809SS**PPolyproline II helixtrans-55.3132.6-174.61780000111.9L417V415-L417 PolarHBondContact O-N 3.28Å
416W31.4Very low43.1Very low227 Ų227146.2 Ų146.286%0.8680%0.795SS**PPolyproline II helixtrans-56.9117.2172.3-168.94000109.7A414 N418A414-W416 PolarHBondContact O-N 3.24Å; W416-N418 PolarHBondContact O-N 3.12Å; W416-N418 VanDerWaalsContact O-N 3.07Å
417L36.9Very low44.8Very low161 Ų161145.6 Ų145.684%0.84379%0.787SS**  trans-67.7108.3174-72176.4000108.9V415 S419V415-L417 PolarHBondContact O-N 3.28Å; L417-S419 PolarHBondContact O-N 3Å
418N33Very low46.3Very low141 Ų141149.4 Ų149.475%0.75478%0.782SS**PPolyproline II helixtrans-57.8120.5172.7-67.1-53.6000109.3W416 V420W416-N418 PolarHBondContact O-N 3.12Å; W416-N418 VanDerWaalsContact O-N 3.07Å; N418-V420 PolarHBondContact O-N 3.45Å
419S38.6Very low47.7Very low108 Ų108144.9 Ų144.976%0.75577%0.769SS**PPolyproline II helixtrans-58.7124.4170.249.80000109.3L417 P421L417-S419 PolarHBondContact O-N 3Å; S419-P421 WeakPolarHBondContact O-CD 3.45Å
420V37.3Very low49.1Very low124 Ų124142.1 Ų142.175%0.75275%0.754SS**PPolyproline II helixtrans-55.5125.5172.5176.30000108.1N418 T422N418-V420 PolarHBondContact O-N 3.45Å; V420-T422 VanDerWaalsContact C-N 3.32Å; V420-T422 PolarHBondContact O-N 2.8Å
421P42.8Very low50.8Low117 Ų117136.3 Ų136.376%0.7673%0.727SS**  trans-71.194.2173.429-32.7000108.2S419 R423S419-P421 WeakPolarHBondContact O-CD 3.45Å; P421-R423 PolarHBondContact O-N 3.07Å; P421-R423 VanDerWaalsContact O-N 3.12Å
422T41.3Very low52.9Low114 Ų114137.3 Ų137.370%0.69972%0.719SS**  trans-52.8120162.7-53.30000106.8V420 E424V420-T422 VanDerWaalsContact C-N 3.32Å; V420-T422 PolarHBondContact O-N 2.8Å; T422-E424 PolarHBondContact O-N 2.75Å
423R48.6Very low55Low237 Ų237132.9 Ų132.989%0.89470%0.704SS**  trans-72.380.4179-175-172.2178-162.5-0108.7P421 Q425P421-R423 PolarHBondContact O-N 3.07Å; P421-R423 VanDerWaalsContact O-N 3.12Å; R423-Q425 PolarHBondContact O-N 2.78Å; R423-Q425 VanDerWaalsContact O-N 3.08Å
424E51.8Low56.7Low166 Ų166132 Ų13278%0.77669%0.686SS**  trans-56.9114.5170-70.1-175.6-177.100108.1T422 E426T422-E424 PolarHBondContact O-N 2.75Å; E424-E426 VanDerWaalsContact C-N 3.32Å; E424-E426 PolarHBondContact O-N 2.75Å
425Q58Low58.5Low176 Ų176133.4 Ų133.482%0.82267%0.674SS**  trans-79.187.4179.5-173169.4-700107R423 T427R423-Q425 PolarHBondContact O-N 2.78Å; R423-Q425 VanDerWaalsContact O-N 3.08Å; Q425-T427 PolarHBondContact O-N 2.85Å
426E56.2Low60.2Low95 Ų95129.7 Ų129.744%0.44466%0.658SS.*  trans-44112.2179.4-80-164.815200109.7E424 Q431 K434E424-E426 VanDerWaalsContact C-N 3.32Å; E424-E426 PolarHBondContact O-N 2.75Å; E426-Q431 PolarHBondContact OE2-NE2 3.2Å; E426-K434 IonicContact OE1-NZ 4Å; E426-K434 PolarHBondContact OE1-NZ 3.15Å
427T78.2Confident61.8Low87 Ų87122.8 Ų122.853%0.53464%0.641SS.*  trans-76.8153.2177.758.80000109.9Q425 A429 Y430 Q431Q425-T427 PolarHBondContact O-N 2.85Å; T427-A429 PolarHBondContact O-N 3.06Å; T427-A429 VanDerWaalsContact O-N 3.15Å; T427-Y430 WeakPolarHBondContact O-CA 3.5Å; T427-Y430 WeakPolarHBondContact O-CB 3.35Å; T427-Y430 PolarHBondContact O-N 3.3Å; T427-Q431 PolarHBondContact O-N 2.84Å; T427-Q431 VanDerWaalsContact O-N 3.17Å
428E76.6Confident62.8Low166 Ų166120.9 Ų120.978%0.77663%0.63SS**Hα-helixtrans-57.4-32.2178.4-61.4-176.6161.600111.9Y430 Q431 L432E428-Y430 VanDerWaalsContact C-N 3.35Å; E428-Y430 PolarHBondContact O-N 3.3Å; E428-Q431 PolarHBondContact O-N 2.85Å; E428-L432 WeakPolarHBondContact O-CB 3.35Å; E428-L432 WeakPolarHBondContact O-CG 3.35Å; E428-L432 PolarHBondContact O-N 3.16Å
429A75.3Confident63.8Low68 Ų68120.5 Ų120.556%0.56262%0.624SS**Hα-helixtrans-60-39.3171.800000113.1T427 L432 L433T427-A429 PolarHBondContact O-N 3.06Å; T427-A429 VanDerWaalsContact O-N 3.15Å; A429-L432 PolarHBondContact O-N 3.25Å; A429-L433 WeakPolarHBondContact O-CB 3.41Å; A429-L433 PolarHBondContact O-N 3.35Å
430Y78.3Confident64.3Low139 Ų139120.2 Ų120.255%0.54561%0.614SS.*Hα-helixtrans-71.6-37.6177.4-155.8-107.5000111.5T427 E428 K434T427-Y430 WeakPolarHBondContact O-CA 3.5Å; T427-Y430 WeakPolarHBondContact O-CB 3.35Å; T427-Y430 PolarHBondContact O-N 3.3Å; E428-Y430 VanDerWaalsContact C-N 3.35Å; E428-Y430 PolarHBondContact O-N 3.3Å; Y430-K434 VanDerWaalsContact O-CB 3.3Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 3.11Å
431Q83.1Confident65Low83 Ų83119.4 Ų119.439%0.38861%0.606SS.*Hα-helixtrans-69.6-35.5172.6-68.5-152.97.700113.2E426 T427 E428 K434 K435E426-Q431 PolarHBondContact OE2-NE2 3.2Å; T427-Q431 PolarHBondContact O-N 2.84Å; T427-Q431 VanDerWaalsContact O-N 3.17Å; E428-Q431 PolarHBondContact O-N 2.85Å; Q431-K434 PolarHBondContact O-N 3.08Å; Q431-K435 WeakPolarHBondContact O-CB 3.42Å; Q431-K435 VanDerWaalsContact O-CG 3.26Å; Q431-K435 WeakPolarHBondContact O-CG 3.26Å; Q431-K435 PolarHBondContact O-N 3.42Å
432L85.4Confident65.2Low114 Ų114117.6 Ų117.660%0.59759%0.592SS**Hα-helixtrans-64.5-45.5172.8-81.1163.9000111.3E428 A429 K434 K435 A436E428-L432 WeakPolarHBondContact O-CB 3.35Å; E428-L432 WeakPolarHBondContact O-CG 3.35Å; E428-L432 PolarHBondContact O-N 3.16Å; A429-L432 PolarHBondContact O-N 3.25Å; L432-K434 PolarHBondContact O-N 3.45Å; L432-K435 PolarHBondContact O-N 3.45Å; L432-A436 WeakPolarHBondContact O-CB 3.49Å; L432-A436 PolarHBondContact O-N 2.98Å
433L85.1Confident65.5Low106 Ų106117 Ų11756%0.55559%0.585SS**Hα-helixtrans-57.9-47.7174.9-177.861.9000111.3A429 K435 A436 T437A429-L433 WeakPolarHBondContact O-CB 3.41Å; A429-L433 PolarHBondContact O-N 3.35Å; L433-K435 VanDerWaalsContact C-N 3.31Å; L433-K435 PolarHBondContact O-N 3.06Å; L433-A436 PolarHBondContact O-N 2.83Å; L433-T437 PolarHBondContact O-N 3.19Å; L433-T437 PolarHBondContact O-OG1 3.27Å; L433-T437 VanDerWaalsContact O-OG1 3.05Å
434K79Confident65.4Low114 Ų114113 Ų11350%0.49658%0.576SS.*Hα-helixtrans-60.3-35.9177.5-169.4175.4-174.5175.20113.1E426 Y430 Q431 L432 T437E426-K434 IonicContact OE1-NZ 4Å; E426-K434 PolarHBondContact OE1-NZ 3.15Å; Y430-K434 VanDerWaalsContact O-CB 3.3Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 3.11Å; Q431-K434 PolarHBondContact O-N 3.08Å; L432-K434 PolarHBondContact O-N 3.45Å; K434-T437 WeakPolarHBondContact CA-OG1 3.42Å; K434-T437 PolarHBondContact O-OG1 3.22Å
435K74.9Confident65Low127 Ų127109 Ų10955%0.55256%0.563SS**Hα-helixtrans-71.8-45.7174-73.2167.5-176174.70111.8Q431 L432 L433 T437 L438 Q439Q431-K435 WeakPolarHBondContact O-CB 3.42Å; Q431-K435 VanDerWaalsContact O-CG 3.26Å; Q431-K435 WeakPolarHBondContact O-CG 3.26Å; Q431-K435 PolarHBondContact O-N 3.42Å; L432-K435 PolarHBondContact O-N 3.45Å; L433-K435 VanDerWaalsContact C-N 3.31Å; L433-K435 PolarHBondContact O-N 3.06Å; K435-T437 VanDerWaalsContact C-N 3.34Å; K435-T437 PolarHBondContact O-N 2.88Å; K435-L438 PolarHBondContact O-N 2.81Å; K435-Q439 PolarHBondContact O-N 3.06Å
436A72.9Confident64.2Low54 Ų54106 Ų10645%0.44655%0.55SS..Hα-helixtrans-59.4-43.817700000111.9L432 L433 L438 Q439 D440L432-A436 WeakPolarHBondContact O-CB 3.49Å; L432-A436 PolarHBondContact O-N 2.98Å; L433-A436 PolarHBondContact O-N 2.83Å; A436-L438 PolarHBondContact O-N 3.36Å; A436-L438 VanDerWaalsContact O-N 3.16Å; A436-Q439 PolarHBondContact O-N 3.39Å; A436-Q439 VanDerWaalsContact O-N 3.15Å; A436-D440 PolarHBondContact O-N 3.08Å
437T64Low63.5Low82 Ų82109 Ų10950%0.50357%0.569SS.*Hα-helixtrans-67.4-10.1176.251.40000114.7L433 K434 K435 N441L433-T437 PolarHBondContact O-N 3.19Å; L433-T437 PolarHBondContact O-OG1 3.27Å; L433-T437 VanDerWaalsContact O-OG1 3.05Å; K434-T437 WeakPolarHBondContact CA-OG1 3.42Å; K434-T437 PolarHBondContact O-OG1 3.22Å; K435-T437 VanDerWaalsContact C-N 3.34Å; K435-T437 PolarHBondContact O-N 2.88Å; T437-N441 PolarHBondContact O-ND2 2.93Å
438L57.8Low61.9Low120 Ų120114.9 Ų114.963%0.62858%0.581SS**Hα-helixtrans-90.5-38.3169.6-83.6163.9000111.7K435 A436K435-L438 PolarHBondContact O-N 2.81Å; A436-L438 PolarHBondContact O-N 3.36Å; A436-L438 VanDerWaalsContact O-N 3.16Å
439Q54.8Low60.4Low134 Ų134114.8 Ų114.863%0.62658%0.578SS**Hα-helixtrans-71.4-35.2-175.1-167.4170.44.300113.4K435 A436 N441 T442K435-Q439 PolarHBondContact O-N 3.06Å; A436-Q439 PolarHBondContact O-N 3.39Å; A436-Q439 VanDerWaalsContact O-N 3.15Å; Q439-N441 VanDerWaalsContact C-N 3.27Å; Q439-N441 PolarHBondContact O-N 3.33Å; Q439-T442 PolarHBondContact O-N 3.12Å
440D48.3Very low58.9Low101 Ų101118.8 Ų118.854%0.5459%0.585SS.*Hα-helixtrans-66.7-27.9-179.4-159.537000112.9A436A436-D440 PolarHBondContact O-N 3.08Å
441N52.6Low57.2Low107 Ų107121.6 Ų121.657%0.57260%0.601SS**Hα-helixtrans-73.2-28177.9-65.1-41.4000113.4T437 Q439 T445T437-N441 PolarHBondContact O-ND2 2.93Å; Q439-N441 VanDerWaalsContact C-N 3.27Å; Q439-N441 PolarHBondContact O-N 3.33Å; N441-T445 PolarHBondContact O-OG1 3.25Å
442T48Very low55.3Low79 Ų79123.3 Ų123.349%0.48562%0.617SS.*Hα-helixtrans-70.4-46.3178.9-56.30000110.8Q439 Q444 T445 E446Q439-T442 PolarHBondContact O-N 3.12Å; T442-Q444 VanDerWaalsContact C-N 3.27Å; T442-Q444 PolarHBondContact O-N 2.86Å; T442-T445 PolarHBondContact O-N 3.07Å; T442-T445 VanDerWaalsContact O-N 3.08Å; T442-T445 PolarHBondContact O-OG1 2.89Å; T442-E446 PolarHBondContact O-N 3.44Å
443N47.3Very low53.1Low103 Ų103125.7 Ų125.755%0.55163%0.63SS**Hα-helixtrans-68.8-22.3-172.3-64.9-21.1000113.7
444Q45.9Very low50.9Low151 Ų151125 Ų12571%0.70664%0.639SS**Hα-helixtrans-85.3-12.7174.2-67-158.233.700114.7T442T442-Q444 VanDerWaalsContact C-N 3.27Å; T442-Q444 PolarHBondContact O-N 2.86Å
445T42.5Very low48.8Very low82 Ų82125.6 Ų125.650%0.50366%0.658SS.*Hα-helixtrans-93.7-34.617942.50000113.1N441 T442 R448 F449N441-T445 PolarHBondContact O-OG1 3.25Å; T442-T445 PolarHBondContact O-N 3.07Å; T442-T445 VanDerWaalsContact O-N 3.08Å; T442-T445 PolarHBondContact O-OG1 2.89Å; T445-R448 PolarHBondContact O-N 3.08Å; T445-F449 WeakPolarHBondContact O-CD2 3.35Å
446E41.9Very low47.1Very low114 Ų114125.3 Ų125.353%0.53367%0.667SS.*Hα-helixtrans-68.3-43-178.9-173.2156.2-150.900113.3T442 R448 F449 Q450T442-E446 PolarHBondContact O-N 3.44Å; E446-R448 PolarHBondContact O-N 2.89Å; E446-F449 PolarHBondContact O-N 2.87Å; E446-Q450 PolarHBondContact OE1-NE2 3.23Å; E446-Q450 VanDerWaalsContact OE1-NE2 3.08Å
447N41.9Very low45.3Very low158 Ų158128.2 Ų128.285%0.84568%0.684SS**THydrogen-bonded Turntrans-71.916.8178.4-159.96.4000114.2
448R43.7Very low43.9Very low210 Ų210132.5 Ų132.579%0.79270%0.698SS**THydrogen-bonded Turntrans-115.7-12.4172.1-156.4170.1-171.3170.74.4114T445 E446T445-R448 PolarHBondContact O-N 3.08Å; E446-R448 PolarHBondContact O-N 2.89Å
449F45.5Very low42.9Very low164 Ų164135.1 Ų135.172%0.71971%0.712SS**THydrogen-bonded Turntrans-117.5-6.5-174.2-66.8-68.6000115.2T445 E446 K451T445-F449 WeakPolarHBondContact O-CD2 3.35Å; E446-F449 PolarHBondContact O-N 2.87Å; F449-K451 PolarHBondContact O-N 3.35Å
450Q45.1Very low42Very low152 Ų152134.6 Ų134.671%0.7172%0.723SS**SBendtrans-93.644.8175.4-59.4-168.913.100113.8E446E446-Q450 PolarHBondContact OE1-NE2 3.23Å; E446-Q450 VanDerWaalsContact OE1-NE2 3.08Å
451K41.6Very low41.4Very low199 Ų199133 Ų13387%0.86573%0.73SS**SBendtrans-138.328.6172.3-151.3171.2179.2170.20115.8F449F449-K451 PolarHBondContact O-N 3.35Å
452T44Very low40.6Very low118 Ų118136.3 Ų136.372%0.72475%0.747SS**SBendtrans-147.689.3160.444.60000108.8
453D38.9Very low40.1Very low165 Ų165140.3 Ų140.388%0.88277%0.765SS**SBendtrans179165.9132.4-91.3-24.3000112.1
454A38.5Very low39.7Very low90 Ų90143.8 Ų143.874%0.74478%0.782SS**  trans53.179.8166.300000118.7
455S34.1Very low39Very low127 Ų127140.2 Ų140.289%0.88879%0.786SS**  trans-150.459.7147.1-80.50000111.2S457S455-S457 PolarHBondContact O-N 3.29Å
456V39.9Very low38.6Very low122 Ų122142.5 Ų142.574%0.73981%0.805SS**  trans-82.8100.2167.7178.90000108.6
457S35Very low38.2Very low115 Ų115139.5 Ų139.580%0.80480%0.804SS**  trans-129.2120.4163.5-78.70000108.2S455 L459S455-S457 PolarHBondContact O-N 3.29Å; S457-L459 PolarHBondContact O-N 2.57Å
458H35.2Very low38Very low171 Ų171136.7 Ų136.779%0.79280%0.803SS**  trans-76.5121.2-167.8-66.7-102.2000111.8
459L36.1Very low37.5Very low176 Ų176135.8 Ų135.892%0.92181%0.805SS**  trans-123.9119154.6-158.669.8000108.8S457S457-L459 PolarHBondContact O-N 2.57Å
460S36.1Very low37.1Very low123 Ų123137.3 Ų137.386%0.8682%0.815SS**  trans-72.2142.9-169.2-56.90000112.7
461G35.6Very low36.5Very low68 Ų68136.8 Ų136.870%0.70182%0.822SS**  trans145.345.6152.700000120.7
462L35.4Very low36.3Very low176 Ų176136.6 Ų136.692%0.92182%0.821SS**  trans-160.5151.5133.4-130.564.4000111.8
463N38.3Very low35.6Very low162 Ų162136.3 Ų136.387%0.86682%0.82SS**  trans-82.9143.1-167.1-70.1-53.1000113.8
464I39.3Very low35.5Very low177 Ų177133.4 Ų133.491%0.90882%0.818SS**  trans-69.6127.8163.1-64.3170.8000108.5
465G31.3Very low35.3Very low76 Ų76135.8 Ų135.878%0.78482%0.819SS**  trans-134.4100.8175.400000111.1
466S33.4Very low35.4Very low130 Ų130139.1 Ų139.191%0.90982%0.817SS**  trans-81.8145.3172.1-176.80000110.8
467G32.4Very low35.5Very low50 Ų50140.3 Ų140.352%0.51582%0.818SS.*  trans129.3110.8171.900000113.4
468A39.5Very low35.4Very low99 Ų99138.6 Ų138.682%0.81881%0.811SS**  trans-85.7120.2174.800000110.7
469F33.1Very low35.3Very low192 Ų192135.4 Ų135.484%0.84281%0.807SS**  trans-141.1157.5173-58-72.2000111
470E35.5Very low35.1Very low195 Ų195135.8 Ų135.891%0.91181%0.805SS**  trans-86.1162.8-155.3-57.3174.7133.900115.4K472E470-K472 PolarHBondContact O-N 2.99Å; E470-K472 VanDerWaalsContact O-N 3.12Å
471T34Very low35Very low142 Ų142134 Ų13487%0.87180%0.798SS**SBendtrans-74.3100.1177.249.20000112.8
472K36.4Very low34.9Very low194 Ų194135.4 Ų135.484%0.84380%0.797SS**  trans37.696.3151.8-71-175.9175.7178.10117.9E470E470-K472 PolarHBondContact O-N 2.99Å; E470-K472 VanDerWaalsContact O-N 3.12Å
473T29.1Very low34.8Very low113 Ų113136.8 Ų136.869%0.69380%0.795SS**  49.791.3118.5-44.60000117.7
474A36.8Very low34.5Very low103 Ų103135 Ų13585%0.85180%0.796SS**  -74.6148.7128.700000108.7
475N35.7Very low34.4Very low141 Ų141131.9 Ų131.975%0.75479%0.79SS**  trans-87149.1-169.4-72.9-65.8000113.9
476K34.4Very low34.7Very low197 Ų197133.4 Ų133.486%0.85779%0.788SS**  trans72.1131.5153.9-122.3-172.5179.3-1750113.8
477I42.6Very low34.7Very low146 Ų146136.3 Ų136.375%0.74979%0.787SS**  cis-155.3147.340.9-77.7162.3000110.9
478A32.7Very low34.7Very low79 Ų79137.3 Ų137.365%0.65380%0.798SS**  trans17.7125154.200000123.3
479S32.7Very low34.6Very low104 Ų104138.5 Ų138.573%0.72780%0.8SS**  82.7140.6120.3-65.30000123.9
480E31.7Very low35.1Very low185 Ų185135.1 Ų135.186%0.86480%0.797SS**  trans76.9103.2144-73.7167.1147.200121.7
481A35.1Very low35.1Very low86 Ų86134.2 Ų134.271%0.71180%0.798SS**  63.399121.800000120.7
482S34.3Very low35.6Very low97 Ų97133.2 Ų133.268%0.67880%0.797SS**  59.8133.6113.7-500000122.4
483F32.6Very low35.7Very low204 Ų204133.3 Ų133.390%0.89579%0.792SS**  trans85.8141.1152.2-60.1-62.5000121.6
484S32Very low35.9Very low125 Ų125136.9 Ų136.987%0.87480%0.8SS**  trans89.4140.7146.6-148.30000119.8
485S38.1Very low35.9Very low112 Ų112137 Ų13778%0.78378%0.783SS**  trans-96.3141.3-179.2165.10000111.3
486S36.8Very low35.8Very low107 Ų107137 Ų13775%0.74878%0.784SS**  trans-145.5119.1146.747.50000106.5
487E33.2Very low36.1Very low191 Ų191137.5 Ų137.589%0.89379%0.785SS**  79.6125.274.6-171175.8-163.100112.6
488G33.3Very low35.9Very low72 Ų72140 Ų14074%0.74279%0.791SS**  trans111.797.4169.700000116.4
489S36.2Very low36.3Very low124 Ų124145.2 Ų145.287%0.86780%0.799SS**  trans-76.3150.7150.3-58.20000108.8
490P44.7Very low37Very low120 Ų120146.4 Ų146.478%0.77980%0.804SS**  -150.3166.192.939.1-22.4000117.1
491L34.8Very low37Very low176 Ų176142.8 Ų142.892%0.92180%0.795SS**  trans-24.6136.3158.1-64.2154000116.1
492S44Very low37.3Very low122 Ų122146.8 Ų146.885%0.85380%0.802SS**  trans-124.8125157.562.40000111.6
493R38.6Very low37.2Very low196 Ų196149.2 Ų149.274%0.7481%0.807SS**  trans-77.3146.3164.3-79.3176.7160.3-164.2-9.8108.8E495R493-E495 IonicContact CZ-OE1 3.66Å; R493-E495 IonicContact CZ-OE2 3.61Å; R493-E495 IonicContact NE-OE2 3.49Å; R493-E495 IonicContact NH1-OE1 2.7Å; R493-E495 PolarHBondContact NH1-OE1 2.96Å; R493-E495 IonicContact NH1-OE2 2.76Å; R493-E495 PolarHBondContact NH1-OE2 3.15Å
494H33.5Very low37.6Very low188 Ų188148.1 Ų148.187%0.8781%0.81SS**  trans-10298.7144.9-166.6-24000109.4
495E37Very low37.6Very low105 Ų105151.2 Ų151.249%0.49181%0.808SS.*  trans-88.1148.1164.2-99.5172.7143.100111.4R493 K497R493-E495 IonicContact CZ-OE1 3.66Å; R493-E495 IonicContact CZ-OE2 3.61Å; R493-E495 IonicContact NE-OE2 3.49Å; R493-E495 IonicContact NH1-OE1 2.7Å; R493-E495 PolarHBondContact NH1-OE1 2.96Å; R493-E495 IonicContact NH1-OE2 2.76Å; R493-E495 PolarHBondContact NH1-OE2 3.15Å; E495-K497 PolarHBondContact O-N 3.26Å
496N32.6Very low37.4Very low142 Ų142149.8 Ų149.876%0.75980%0.798SS**  trans-64.1116.2168.545.9-2.3000111.9K498N496-K498 PolarHBondContact O-N 3.41Å; N496-K498 VanDerWaalsContact O-N 3.17Å
497K41.7Very low37.1Very low206 Ų206152.6 Ų152.690%0.89681%0.805SS**  trans-83.796.8176.4-73.2-173.41791770112.1E495E495-K497 PolarHBondContact O-N 3.26Å
498K37.8Very low37.2Very low200 Ų200147 Ų14787%0.8780%0.797SS**  trans20.3134151.4-62.3-178.8179.9178.60120N496N496-K498 PolarHBondContact O-N 3.41Å; N496-K498 VanDerWaalsContact O-N 3.17Å
499K41.1Very low37.2Very low187 Ų187150.5 Ų150.581%0.81380%0.795SS**  trans-56.7168.1160.8-51178.3-177.8-179.10112.2
500P47.5Very low37.1Very low129 Ų129153.5 Ų153.584%0.83879%0.787SS**  -116.7167.211834.7-34.3000113.2
501V32.8Very low36.8Very low110 Ų110152.6 Ų152.667%0.66778%0.775SS**  trans-96.8138.6-176.2173.50000110.7
502I40Very low36.8Very low169 Ų169150.3 Ų150.387%0.86776%0.764SS**  trans-129.9134.5152.647.5174000109.3
503N32.8Very low36.5Very low148 Ų148154.7 Ų154.779%0.79176%0.762SS**  trans-86.5127177.8-75.3-71.6000110.2
504L41.3Very low36.6Very low182 Ų182150.8 Ų150.895%0.95376%0.76SS**  trans-136.8163150.4-80.3-176.3000109.8
505K31.7Very low36.8Very low190 Ų190148.6 Ų148.683%0.82675%0.754SS**  trans-136.6135.9-143172.9-175.9165.4-175.80112.7
506S34.4Very low36.9Very low81 Ų81149.6 Ų149.657%0.56676%0.763SS**  trans58.8125.6155.868.70000121.2
507N31Very low37.2Very low167 Ų167152.7 Ų152.789%0.89377%0.77SS**  trans70.1146.5133-54.67.3000119.9
508G34.5Very low37.3Very low72 Ų72149.2 Ų149.274%0.74276%0.76SS**  trans117.685.8-171.200000109.5
509E33.3Very low37.5Very low147 Ų147149.6 Ų149.669%0.68776%0.762SS**  77.3107.550.3-160.9-163.9163.400113.5
510R34.9Very low37.8Very low186 Ų186147.3 Ų147.370%0.70276%0.758SS**  trans64.1162.3165.1-75.3-179.3-61.6105.1-0.5115.3
511D37.4Very low37.9Very low101 Ų101154.5 Ų154.554%0.5478%0.777SS.*  cis-146.4172.4-0.1-133.9-44.7000112.9
512N35.3Very low38.1Very low128 Ų128156.7 Ų156.768%0.68478%0.782SS**  trans-55.9144172.7-59.7-94.8000114.7
513R37.9Very low38Very low215 Ų215156.1 Ų156.181%0.81178%0.778SS**  -179.7153.7118.1-109.5161.8-85.3-143.1-5.4117.9
514T39.4Very low38.3Very low113 Ų113156.5 Ų156.569%0.69378%0.777SS**  trans57.6108.5147.7-50.70000117.5
515L38.7Very low38.1Very low143 Ų143155 Ų15575%0.74977%0.767SS**  79.6136.759.9-73.4173.5000115.9
516D39.5Very low38.5Very low126 Ų126152.8 Ų152.867%0.67476%0.763SS**  trans58.195.4150.5-51.6-24.7000121.3
517F38.7Very low38.8Very low207 Ų207157.6 Ų157.691%0.90878%0.776SS**  trans-167.3144.8139.9-86.4-57.8000106.8
518L42.4Very low39.4Very low132 Ų132156.9 Ų156.969%0.69177%0.768SS**  cis-155.8140.6-1.6177.775.8000106.2L520L518-L520 HydrophobicContact CD2-CD1 4.02Å
519F41.9Very low39.7Very low208 Ų208163.5 Ų163.591%0.91277%0.77SS**  trans-101.5139.6165.1-131.5-84.7000109.9
520L49.1Very low40.3Very low140 Ų140164.8 Ų164.873%0.73378%0.777SS**  trans-86.8162.5-172.2-112.369000112.9L518L518-L520 HydrophobicContact CD2-CD1 4.02Å
521F48Very low40.8Very low279 Ų279162.9 Ų162.9100%1.22478%0.784SS**  trans-690156.3-104.2-91.4000110.8

Retrieved 521 of 521 residues in 210.4 ms (Link to these results)