A0A077ZAT9_TRITR Loading...

Protein giant

AlphaFold DB , UniProt , Accession A0A077ZAT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 564 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
1M50.1Low51.5Low219 Ų219131.5 Ų131.5100%1.07977%0.771SS**  061.50-54.5-177.9-175.400107.1
2E43.2Very low51.5Low156 Ų156134.8 Ų134.873%0.72977%0.769SS**  82.2108.372.9-75.8156.1122.500109.5
3E40.8Very low51.1Low166 Ų166132.4 Ų132.478%0.77677%0.766SS**  9311391.4-80.1-156.1145.100109.6
4V50.6Low51.1Low130 Ų130129.2 Ų129.279%0.78876%0.763SS**  85.8137.4701660000110.7
5P68.8Low50.8Low122 Ų122129.9 Ų129.979%0.79277%0.769SS**  trans-109.4-177.2-151.641.5-32.1000113.5
6A52.9Low50.7Low94 Ų94126.6 Ų126.678%0.77777%0.77SS**  trans-144.6139.8171.900000113.7
7A53.7Low50.4Low84 Ų84127.4 Ų127.469%0.69477%0.769SS**  trans66.1145.7132.100000119.3
8N48.6Very low50.2Low154 Ų154128 Ų12882%0.82476%0.762SS**  cis-165.6169.42.1-107.6-6.4000106.5
9S53Low49.9Very low93 Ų93126.8 Ų126.865%0.6576%0.761SS**  cis-172.9154.72.241.30000111
10S55.6Low49.6Very low95 Ų95126.3 Ų126.366%0.66476%0.764SS**  trans65.5115.3142.9-73.40000120.8
11D49.8Very low50Low133 Ų133126.7 Ų126.771%0.71177%0.769SS**  92.4146.681.7-78.8-56.3000111.7
12K50.7Low49.4Very low172 Ų172121.8 Ų121.875%0.74876%0.756SS**  cis-159.5130.512.8-120.9164.6-177.5173.90107.2
13S46.2Very low49.4Very low103 Ų103118.7 Ų118.772%0.7276%0.757SS**  85.1149.887.279.60000117.3
14A51.8Low49.6Very low88 Ų88115.2 Ų115.273%0.72776%0.757SS**  trans86.7136169.600000117.2
15T46.5Very low49.2Very low140 Ų140115.5 Ų115.586%0.85976%0.759SS**  cis155.2145.5-27.336.80000107.2
16G49.4Very low48.3Very low76 Ų76116.3 Ų116.378%0.78476%0.762SS**  trans113.695.2176.200000112.4
17D44.8Very low47.6Very low140 Ų140119.2 Ų119.275%0.74976%0.764SS**  cis99143.626.5-158.326.8000114.1
18Q46.4Very low47.4Very low139 Ų139121.7 Ų121.765%0.6577%0.771SS**  trans82.5111.2168.1-56-56.4-33.100123
19S44.8Very low47.1Very low106 Ų106120.6 Ų120.674%0.74177%0.765SS**  84.5117.4123.4-71.90000122.7
20S45Very low46.7Very low116 Ų116122.8 Ų122.881%0.81177%0.769SS**  trans-82.3166.8156-43.20000111.7
21P56.5Low46Very low135 Ų135125.2 Ų125.288%0.87778%0.775SS**  trans-133.9178.8133.236.4-24.9000113.8
22S38.7Very low45.5Very low115 Ų115124.2 Ų124.280%0.80478%0.778SS**  trans-124.7168.8-160.1-171.10000113.4
23A43.1Very low45.4Very low92 Ų92121.8 Ų121.876%0.7678%0.78SS**  trans73.5128152.200000121.7
24A45.3Very low44.9Very low93 Ų93122.3 Ų122.377%0.76978%0.784SS**  trans147.197.1143.900000108.1
25V42.1Very low44.5Very low136 Ų136124.3 Ų124.382%0.82479%0.787SS**  51.599.568.5-171.50000113.3
26T50Low44.3Very low139 Ų139123.6 Ų123.685%0.85378%0.783SS**  trans-161.9138131.420.30000110.4
27N37.8Very low43.9Very low154 Ų154126.3 Ų126.382%0.82478%0.784SS**  trans-75.9151.4167-59.7-44.2000109.7
28T48.4Very low43.9Very low137 Ų137124.1 Ų124.184%0.8479%0.786SS**  -166.4147.7123.7190000113.1
29D42.6Very low43.7Very low131 Ų131128.6 Ų128.670%0.70180%0.797SS**  trans-54.5150.4174.8-44.3-89.2000114
30N44.4Very low43.8Very low138 Ų138135.5 Ų135.574%0.73881%0.807SS**  162.6141.7109.2-88.9-68.7000114.7
31N42.1Very low44Very low147 Ų147135.1 Ų135.179%0.78680%0.804SS**  trans61.2122.2148.3-66.9-41.9000122.2
32S38.3Very low43.8Very low112 Ų112134.9 Ų134.978%0.78380%0.8SS**  trans-54.1163.8160.6-44.30000113.3
33P48.9Very low44.9Very low120 Ų120135.1 Ų135.178%0.77980%0.799SS**  -138.8155.998.737.6-26.7000115.3
34S35.7Very low45.3Very low114 Ų114136.7 Ų136.780%0.79780%0.801SS**  trans-60.1142.7175.6-41.40000113.2
35T44.3Very low45Very low131 Ų131140.7 Ų140.780%0.80481%0.809SS**  trans-158.6138150.50.30000114.5
36T42.8Very low45.5Very low124 Ų124139.4 Ų139.476%0.76181%0.806SS**  trans7584.9149.1-44.90000119.8A38T36-A38 PolarHBondContact O-N 3.39Å
37T39.3Very low45.5Very low133 Ų133142.5 Ų142.582%0.81681%0.807SS**  trans-43.8109.8150.9-55.50000113.3R39T37-R39 PolarHBondContact O-N 3.32Å
38A44.7Very low45.7Very low95 Ų95141.2 Ų141.279%0.78581%0.805SS**  trans-83.7103.7168.700000111T36 R40T36-A38 PolarHBondContact O-N 3.39Å; A38-R40 PolarHBondContact O-N 3.48Å
39R42Very low45.8Very low232 Ų232142.9 Ų142.988%0.87580%0.8SS**  trans-63.6117.1168.5-77.9179.3164.8-139-1.2109.7T37 S41T37-R39 PolarHBondContact O-N 3.32Å; R39-S41 PolarHBondContact O-N 3.43Å
40R47.1Very low45.9Very low252 Ų252142.1 Ų142.195%0.95180%0.801SS**  trans-80.4100.3170.3-163.7171.8-166.2-125.52.5110.3A38A38-R40 PolarHBondContact O-N 3.48Å
41S49Very low46.1Very low108 Ų108142.2 Ų142.276%0.75580%0.797SS**PPolyproline II helixtrans-68.9146.6175.327.90000112.6R39R39-S41 PolarHBondContact O-N 3.43Å
42T53.2Low46.8Very low130 Ų130140.3 Ų140.380%0.79879%0.792SS**PPolyproline II helixtrans-73.5139.4176.847.10000112.2
43P61.1Low47Very low119 Ų119139.3 Ų139.377%0.77379%0.791SS**PPolyproline II helixtrans-75.6148168.432.3-33.3000111.3
44P51.7Low46.6Very low125 Ų125142.4 Ų142.481%0.81280%0.795SS**PPolyproline II helixtrans-83.1147.7-170.732.4-35.7000114.3
45L39.6Very low46.9Very low178 Ų178143.2 Ų143.293%0.93280%0.795SS**PPolyproline II helixtrans-67.2134.2169.3-73.2156000111.2
46S52.2Low46.8Very low109 Ų109142.7 Ų142.776%0.76279%0.792SS**  trans-148.2132.6157.369.50000113.5
47K49.4Very low46.7Very low203 Ų203140.5 Ų140.588%0.88379%0.786SS**  trans60.472.1160.4-59.7-179.6-178.4178.10117.5K49K47-K49 PolarHBondContact O-N 3.2Å
48V43.4Very low46.6Very low127 Ų127143.4 Ų143.477%0.7779%0.788SS**  trans-66.4123.3149.6175.60000108.5
49K50.7Low46.5Very low172 Ų172145.8 Ų145.875%0.74879%0.787SS**  trans-95.6109.7161.7-178168.8173.8-179.40107.9K47 E51K47-K49 PolarHBondContact O-N 3.2Å; K49-E51 WeakPolarHBondContact CE-OE1 3.28Å; K49-E51 PolarHBondContact O-N 3.44Å
50T44.5Very low46.2Very low116 Ų116143.9 Ų143.971%0.71279%0.788SS**  trans-78.8106.7-178.1-51.40000110.1
51E48.7Very low45.7Very low140 Ų140135.5 Ų135.565%0.65478%0.78SS**PPolyproline II helixtrans-90.1135.6158.9-66.9-61.3150.300108.4K49K49-E51 WeakPolarHBondContact CE-OE1 3.28Å; K49-E51 PolarHBondContact O-N 3.44Å
52P56.3Low45.2Very low106 Ų106134.4 Ų134.469%0.68878%0.777SS**PPolyproline II helixtrans-73.7142.6-176.430.3-34.2000111.5E54P52-E54 PolarHBondContact O-N 2.93Å
53A41.5Very low44.5Very low91 Ų91134.7 Ų134.775%0.75278%0.779SS**PPolyproline II helixtrans-70.5117.8174.200000110.6T55A53-T55 PolarHBondContact O-N 3.29Å
54E42.3Very low43.7Very low185 Ų185137.9 Ų137.986%0.86478%0.781SS**  trans-67.3102.2165.2-78.6-165.7138.800109.9P52 V56P52-E54 PolarHBondContact O-N 2.93Å; E54-V56 PolarHBondContact O-N 3.32Å; E54-V56 VanDerWaalsContact O-N 3.15Å
55T42Very low43Very low131 Ų131138.4 Ų138.480%0.80478%0.777SS**  trans-69.6100.3165.521.80000109.3A53 A57A53-T55 PolarHBondContact O-N 3.29Å; T55-A57 PolarHBondContact O-N 3.15Å
56V42.3Very low42.9Very low121 Ų121135.5 Ų135.573%0.73377%0.77SS**  trans-71.776.3170-174.10000109.7E54 F58E54-V56 PolarHBondContact O-N 3.32Å; E54-V56 VanDerWaalsContact O-N 3.15Å; V56-F58 HydrophobicContact CG1-CD2 4.24Å; V56-F58 PolarHBondContact O-N 3.36Å
57A40.7Very low42Very low77 Ų77137.7 Ų137.764%0.63677%0.773SS**  trans-82.595.3163.300000108T55 N59T55-A57 PolarHBondContact O-N 3.15Å; A57-N59 PolarHBondContact O-N 3.48Å
58F37.2Very low41.6Very low194 Ų194134.2 Ų134.285%0.85177%0.769SS**  trans-82109.7173.2-131.6-87.2000109.3V56V56-F58 HydrophobicContact CG1-CD2 4.24Å; V56-F58 PolarHBondContact O-N 3.36Å
59N40.8Very low41.5Very low146 Ų146132.7 Ų132.778%0.78177%0.77SS**  trans-62.1133-175.7-71.1-44.5000112.3A57A57-N59 PolarHBondContact O-N 3.48Å
60E37.1Very low40.8Very low192 Ų192129.4 Ų129.490%0.89777%0.768SS**  trans-67.5150.2151.6-64.7-168.9143.400109.8
61G36.5Very low40.7Very low76 Ų76135.8 Ų135.878%0.78478%0.779SS**  trans101.383.9166.200000116.3
62A38.5Very low40.2Very low84 Ų84136 Ų13669%0.69479%0.785SS**  trans-154.174.4150.800000110.3K64A62-K64 PolarHBondContact O-N 3Å
63V37.4Very low39.5Very low137 Ų137136.2 Ų136.283%0.8379%0.789SS**  trans-64.6102.9172.3-168.90000108.3
64K44.7Very low39.6Very low185 Ų185138.3 Ų138.380%0.80479%0.792SS**  trans-99101.5174.1-77.6-173.2176.9178.90110A62 C66A62-K64 PolarHBondContact O-N 3Å; K64-C66 PolarHBondContact O-N 3.36Å
65N38Very low39.3Very low137 Ų137138.9 Ų138.973%0.73380%0.795SS**  trans-61.5116.4171.2-66.1-11000110.2
66C36Very low39.2Very low116 Ų116137 Ų13778%0.78479%0.793SS**  trans-99.981.9161.8-73.10000109.1K64 T68K64-C66 PolarHBondContact O-N 3.36Å; C66-T68 PolarHBondContact O-N 2.99Å
67N34.7Very low39.2Very low155 Ų155136.8 Ų136.883%0.82980%0.797SS**  trans-73.7111.4162-88.5-14.4000108.6
68T40.4Very low39.6Very low131 Ų131141 Ų14180%0.80481%0.805SS**  trans-122.798.7166.850.30000111C66C66-T68 PolarHBondContact O-N 2.99Å
69A40.8Very low39.9Very low95 Ų95138.6 Ų138.679%0.78580%0.801SS**  trans43.591.8145.200000118.9
70S36.2Very low39.6Very low102 Ų102141.3 Ų141.371%0.71380%0.801SS**  30.3115.6114.5-167.80000118.4
71R42.7Very low40.1Very low251 Ų251137.9 Ų137.995%0.94780%0.795SS**  trans-148.6103.3140.1-114.5173.1-179.5159.81.2110
72N37.8Very low40.1Very low144 Ų144141 Ų14177%0.7779%0.789SS**  trans-80134.5174.9-64.5-14.8000110.6
73S41.5Very low40.1Very low110 Ų110142 Ų14277%0.76979%0.786SS**  trans-15381.3157.1-62.40000107.2
74T44.3Very low40.6Very low135 Ų135144.8 Ų144.883%0.82879%0.787SS**  72.6127.3100.1540000115.2
75E35Very low40.1Very low197 Ų197142.2 Ų142.292%0.92178%0.782SS**  trans-81.8150-171.8-53.8159.712000113.4
76A41.2Very low40.7Very low93 Ų93145 Ų14577%0.76979%0.791SS**  trans-173.910614900000106.3
77S42.4Very low40.9Very low115 Ų115147.8 Ų147.880%0.80479%0.792SS**  45.8100.171.6-162.80000113.5
78M49.6Very low41.1Very low165 Ų165145.4 Ų145.481%0.81379%0.788SS**  -177.7123.7126.7-97.9-162.8-178.900113.6
79N43.3Very low41.1Very low144 Ų144144.4 Ų144.477%0.7778%0.782SS**  trans53.1125.3137.9-59.8-34.1000123.1
80R33.5Very low41.3Very low204 Ų204146.4 Ų146.477%0.7778%0.779SS**  trans-91.6135.7163.2169.6-173.7-175.6-145.83110.4
81P46.9Very low41.6Very low119 Ų119151.5 Ų151.577%0.77378%0.782SS**  trans-90.8160.7161.25.313.7000112.3
82Q38.2Very low41.5Very low143 Ų143146.5 Ų146.567%0.66877%0.774SS**  trans-122.1161.7-176.3-91.4-145.319.400112.7
83V38.3Very low41.9Very low103 Ų103147 Ų14762%0.62478%0.777SS**  trans67.4123.4153.3170.40000118.3
84K46.3Very low42Very low197 Ų197146.4 Ų146.486%0.85777%0.772SS**  -156.2140.9117.5-104.1171.7-174.6-173.30110.2
85N35.4Very low42.3Very low131 Ų131144.4 Ų144.470%0.70177%0.77SS**  trans-109.3146.3-177.4-46-24.2000108.1
86E51.3Low42.8Very low195 Ų195142.2 Ų142.291%0.91176%0.764SS**  trans-144.8145.7157.4-64.2-64.815300107.4
87E38.5Very low43Very low174 Ų174143.6 Ų143.681%0.81377%0.767SS**  trans-139129.1-161.5173-174148.500111.6
88S40.4Very low43.1Very low105 Ų105145.4 Ų145.473%0.73477%0.768SS**  trans176.2109.6156.2540000109.2
89T40.1Very low42.9Very low110 Ų110142.9 Ų142.968%0.67577%0.767SS**  60.1111.668.768.60000115.8
90L44.3Very low42.9Very low138 Ų138139.1 Ų139.172%0.72376%0.762SS**  152.6123.7122.4-80.3160.8000114.6
91R42.2Very low43.3Very low209 Ų209137.6 Ų137.679%0.78977%0.769SS**  trans61.1122.3141.7-61.9179.3-167.9-168.14.9119
92D41Very low42.8Very low146 Ų146139.8 Ų139.878%0.78177%0.769SS**  88.8147.856.2-73.1-50000113.3
93D46.2Very low43.6Very low155 Ų155137.1 Ų137.183%0.82976%0.764SS**  trans71.9146.5-179.9-66.2-51.7000118.4
94S43.4Very low43.8Very low96 Ų96140 Ų14067%0.67177%0.771SS**  cis164.6162-34.452.30000106.9
95A50.8Low43.6Very low94 Ų94138.2 Ų138.278%0.77777%0.769SS**  trans68.1161.8-179.200000117.2
96D46.1Very low43.8Very low150 Ų150135.7 Ų135.780%0.80277%0.766SS**  cis-169.4176.9-44-111.8-43.7000108.4
97C44.9Very low43.3Very low123 Ų123132.4 Ų132.483%0.83176%0.76SS**  trans72.4128.4172-46.50000115.9
98D44.6Very low43.5Very low152 Ų152129.3 Ų129.381%0.81375%0.753SS**  cis97.3140.326.7-163.836000115.8
99S45.9Very low43.6Very low113 Ų113130.5 Ų130.579%0.7976%0.756SS**  trans63.8144.1-174.573.20000116.7
100G42.8Very low43.9Very low65 Ų65131 Ų13167%0.6776%0.759SS**  cis132.6106.7-300000112
101N41.3Very low43.7Very low171 Ų171131.3 Ų131.391%0.91476%0.761SS**  trans173.4121.4151.6-92.7-13.2000113.7
102E37.6Very low43.8Very low165 Ų165127.4 Ų127.477%0.77177%0.767SS**  trans-74.2177.8144.5-87.4-81.2138.500108.5
103P54.1Low44Very low88 Ų88125.4 Ų125.457%0.57177%0.77SS**  cis-154.5-174.63130.3-1.5000119.1
104H42.8Very low43.9Very low164 Ų164123.4 Ų123.476%0.75977%0.768SS**  trans72.5158.2157.4-51-49.4000117.8
105L41.5Very low44.1Very low159 Ų159123.9 Ų123.983%0.83277%0.772SS**  cis-148.7167.42.9-158.264.4000110.4
106A40.1Very low43.9Very low77 Ų77124.2 Ų124.264%0.63677%0.774SS**  trans-77.2161.1174.600000114
107T41.6Very low44.3Very low127 Ų127124 Ų12478%0.77978%0.778SS**  176.7136109.538.20000116.2
108T41.4Very low44.6Very low109 Ų109123.2 Ų123.267%0.66977%0.772SS**  trans57.6125.2137.6620000124.8
109T42.1Very low45Very low129 Ų129124.4 Ų124.479%0.79178%0.777SS**  trans65.4153.9132.962.20000119.7
110T46.6Very low44.8Very low122 Ų122126.1 Ų126.175%0.74878%0.778SS**  cis-143.4167.812.436.90000112.3
111D40.9Very low44.8Very low143 Ų143130.5 Ų130.577%0.76579%0.785SS**  trans-29.8149166.3-52.3-69.4000120.4
112S44.3Very low44.9Very low128 Ų128127.2 Ų127.290%0.89578%0.775SS**  -169.6145.3119.1-81.90000112.2
113A44.4Very low45.3Very low103 Ų103125.3 Ų125.385%0.85178%0.775SS**  trans-94153.7-169.100000114.8
114S45Very low44.8Very low113 Ų113131.1 Ų131.179%0.7979%0.791SS**  trans-163.8128.1131.9-166.80000114.4
115S46.9Very low45.3Very low107 Ų107131.7 Ų131.775%0.74879%0.791SS**  trans6.9156.3155.866.80000125.7
116A46.5Very low45.3Very low101 Ų101135.8 Ų135.884%0.83580%0.796SS**  trans94.9109.514700000119.5
117T54.4Low45.6Very low144 Ų144141.6 Ų141.688%0.88380%0.801SS**  trans-81.9166.7179.523.70000114.2
118P51.9Low45.9Very low108 Ų108142 Ų14270%0.70180%0.804SS**  trans-104.2173.6-156.940.7-37.8000115.1
119L52.6Low46Very low176 Ų176142.8 Ų142.892%0.92180%0.804SS**  trans-123131.5157.8-74.5176.6000111.8
120N42.6Very low46.1Very low149 Ų149142.3 Ų142.380%0.79781%0.806SS**  trans-69.8144.7172.7-101.3-98000110.9
121L41.8Very low45.9Very low157 Ų157142.3 Ų142.382%0.82281%0.806SS**  -170.1149.1122.7-125.977000112.9
122S44.3Very low46Very low102 Ų102141.2 Ų141.271%0.71381%0.807SS**  trans93.2149.5153.9-49.80000121.1
123V45.7Very low45.9Very low126 Ų126143.4 Ų143.476%0.76480%0.802SS**  trans75.771.5160.5-153.40000119.4K125V123-K125 PolarHBondContact O-N 3.43Å
124K44.4Very low45.8Very low209 Ų209144.3 Ų144.391%0.90980%0.798SS**  28.990107.8-157.8168.6-165.4166.30116.5
125K52.1Low45.5Very low176 Ų176145.5 Ų145.577%0.76580%0.8SS**  trans-133.8118.8163.2-162162.5-173.9170.90111.7V123V123-K125 PolarHBondContact O-N 3.43Å
126R41.6Very low45.6Very low245 Ų245150 Ų15093%0.92581%0.806SS**  trans-68.4129.3165.1-61.1173.8-174.2145.5-0.9107.4
127R46.4Very low45.5Very low199 Ų199153.1 Ų153.175%0.75181%0.809SS**  trans-126.7113.6158-104.6-176.4169.5152-5.3108.7
128T47.7Very low45Very low136 Ų136158.2 Ų158.283%0.83481%0.812SS**  trans-79.9114.3155.845.10000106.6
129D44.8Very low44.2Very low126 Ų126158.5 Ų158.567%0.67482%0.815SS**  trans-122.3110.9164.5-78.3-55.8000107.8
130S43.6Very low43.7Very low118 Ų118157.3 Ų157.383%0.82581%0.809SS**  trans-96.2112.3174.951.90000108.7
131T43.2Very low43.5Very low123 Ų123158.1 Ų158.176%0.75581%0.813SS**  trans-108.6118.7171.3-50.10000109
132P41Very low43.5Very low120 Ų120159.7 Ų159.778%0.77982%0.816SS**  trans-80.7128.917432-30.7000109.5
133Q44.2Very low43.5Very low173 Ų173163.1 Ų163.181%0.80882%0.82SS**  trans-127104172.2-131.7176.20.400112
134T41.3Very low43.1Very low123 Ų123168.3 Ų168.376%0.75583%0.826SS**  trans49.8110.6141.558.30000119.2
135T39.6Very low43Very low137 Ų137164.5 Ų164.584%0.8483%0.826SS**  trans-56.1126.9158.340.70000113.1
136K47.2Very low42.5Very low202 Ų202160.6 Ų160.688%0.87883%0.826SS**  trans-163.7169.7148.4-100.8149.2-171.4-179.20107.7
137D44.8Very low42.4Very low167 Ų167158.9 Ų158.989%0.89383%0.826SS**  trans71.863.2-179.8-53.8-15000116.7
138R44Very low42.2Very low250 Ų250157.8 Ų157.894%0.94383%0.829SS**  trans-106.287.6156.4-177-167.7-171.9174.94.1109.8
139C36.1Very low41.9Very low114 Ų114158 Ų15877%0.7783%0.83SS**  trans-160.1157159.1-148.90000112.7
140L41.9Very low41.9Very low152 Ų152158.6 Ų158.680%0.79684%0.838SS**SBendtrans65.373166.4-49.8-175.7000118.6
141L38.9Very low41.6Very low165 Ų165156 Ų15686%0.86483%0.83SS**  -166.4104.6101.8-124.179.3000110
142H41.7Very low41.8Very low191 Ų191161.9 Ų161.988%0.88484%0.839SS**  trans-120.6115.2161.5-93.447.9000107.1
143Q44.2Very low42Very low174 Ų174164.7 Ų164.781%0.81385%0.847SS**  trans-133.5106155.8-77.6-155.12.100110.7
144R37.3Very low41.8Very low235 Ų235159.9 Ų159.989%0.88784%0.844SS**  trans57.795.9139.4-65175.7158.1173.8-8.1117.8
145S42.1Very low42Very low129 Ų129160 Ų16090%0.90285%0.847SS**  -127.7129.4126-173.80000107.9
146A40.7Very low42.2Very low93 Ų93161.4 Ų161.477%0.76985%0.846SS**  trans-137.4113-179.300000109.1
147F39.8Very low42.1Very low209 Ų209159.4 Ų159.492%0.91784%0.843SS**  trans-147.7135.6150.5-152-95.2000108.3
148E41.6Very low41.9Very low176 Ų176154.2 Ų154.282%0.82283%0.83SS**  trans-81.6144.1-161.9-74.8167.2108.800114.1
149T41.6Very low41.9Very low140 Ų140149.1 Ų149.186%0.85983%0.826SS**  trans-77.5115.1164.5-19.60000109.4
150V44.6Very low42.3Very low140 Ų140150 Ų15085%0.84883%0.83SS**  trans-112.9110.9158.1-1790000107.4
151G38.7Very low42.4Very low63 Ų63147.7 Ų147.765%0.64983%0.834SS**  trans-86.8165.7-171.100000114.1
152R47.3Very low42.5Very low247 Ų247145.7 Ų145.793%0.93283%0.833SS**  trans-159.7111.8153-109.9175.5-176.7-153.30.2109.8
153N44Very low42.4Very low178 Ų178141.9 Ų141.995%0.95283%0.828SS**  trans-113.1129.2161.3-78.3-34000107.2
154G40Very low42.1Very low73 Ų73138.7 Ų138.775%0.75383%0.832SS**  trans162.599.7-176.200000110.3
155P45.7Very low42.3Very low126 Ų126134.8 Ų134.882%0.81883%0.827SS**  trans-92.3140.3-165.534.3-33.7000113.2
156M43.2Very low42.2Very low166 Ų166133.7 Ų133.782%0.81882%0.82SS**  trans-138.5111.8163.6-79.1-67.2-8000110.4
157I45.2Very low42.1Very low159 Ų159138.5 Ų138.582%0.81583%0.829SS**  trans27123.6135-58.8163.4000117.8
158G41.2Very low41.9Very low59 Ų59133.5 Ų133.561%0.60883%0.826SS**  trans131.5119.8137.300000118.5
159T44.7Very low41.7Very low143 Ų143133.4 Ų133.488%0.87783%0.83SS**  trans62.9122.7150.261.40000120.8
160P43.4Very low41.5Very low131 Ų131132.9 Ų132.985%0.85183%0.833SS**  trans-102.7136.9160.536-27.2000112
161A43.8Very low41.4Very low105 Ų105131.8 Ų131.887%0.86883%0.831SS**  trans-153.1148.9165.600000111.4
162S41.3Very low41.9Very low123 Ų123133.4 Ų133.486%0.8684%0.838SS**  trans-82.6167-169.7-55.10000114.8
163S39.7Very low42Very low111 Ų111127.5 Ų127.578%0.77683%0.832SS**  trans77.894154.5-155.60000117.9
164A39.2Very low41.9Very low107 Ų107123.3 Ų123.388%0.88482%0.816SS**  trans-126.992.2147.200000108.2
165L40.2Very low42.3Very low152 Ų152125.4 Ų125.480%0.79682%0.817SS**  trans-64.9153.3163-92.3165.4000109.8
166S39.9Very low42Very low107 Ų107129.2 Ų129.275%0.74882%0.816SS**  trans64.278.6157.8-55.80000118.3
167M37.9Very low42.3Very low194 Ų194127.8 Ų127.896%0.95682%0.816SS**  trans-158.2100.1137.9-80.9-144.7130.700111
168A36.7Very low42.3Very low104 Ų104128.4 Ų128.486%0.8682%0.82SS**  trans163.361152.500000112.1
169L37.8Very low42.3Very low174 Ų174133.6 Ų133.691%0.91183%0.834SS**  trans-85.4152.4148.7-74.6169.5000107.8
170S37.9Very low42.3Very low129 Ų129138.3 Ų138.390%0.90284%0.836SS**  trans74.582.1179.5-158.70000116.8
171S41.9Very low42.3Very low117 Ų117140 Ų14082%0.81884%0.837SS**  trans-158.998.4143.8-1740000109.3
172A48.9Very low42.4Very low96 Ų96142.4 Ų142.479%0.79383%0.834SS**  trans-91.6122.717400000109.6S174A172-S174 PolarHBondContact O-N 2.91Å
173P49.6Very low42.5Very low123 Ų123142.1 Ų142.180%0.79983%0.83SS**  trans-79.4113.7170.430.2-30.2000109.9
174S42.2Very low42.4Very low90 Ų90146.4 Ų146.463%0.62984%0.835SS**  trans-61.4134.1177.6-179.90000112.3A172 Y176A172-S174 PolarHBondContact O-N 2.91Å; S174-Y176 PolarHBondContact O-N 2.9Å
175P47.5Very low42.4Very low117 Ų117146.3 Ų146.376%0.7683%0.827SS**SBendtrans-85.970.9-174.135.7-36.6000112.7
176Y40.7Very low42.3Very low207 Ų207148.3 Ų148.381%0.81283%0.83SS**  trans-137.345.5179.8-86.5-75.2000115.1S174S174-Y176 PolarHBondContact O-N 2.9Å
177V47.9Very low42.1Very low135 Ų135152 Ų15282%0.81884%0.841SS**  trans-141.140.9174.1-149.80000115.3
178L46.9Very low42.2Very low172 Ų172147.9 Ų147.990%0.90183%0.831SS**  trans-138.165.6167.9-78.6-179.4000112.5
179N40.6Very low42.3Very low168 Ų168149.4 Ų149.490%0.89883%0.83SS**  trans-144.668.8167.6-116.1-14.8000111.8
180R45.1Very low42.3Very low242 Ų242145.4 Ų145.491%0.91382%0.822SS**  trans-148.984.3165.4-83.9-157.4173.1-136.4-1.4110.7
181L42.2Very low42.6Very low168 Ų168145.2 Ų145.288%0.8882%0.817SS**SBendtrans177.989.1150.2-98.8150.9000109.7
182L46.1Very low42.7Very low154 Ų154145.4 Ų145.481%0.80682%0.816SS**  trans159.9131.1137.4-84.7170.9000109.6
183P43.7Very low42.4Very low118 Ų118147.7 Ų147.777%0.76682%0.824SS**  trans-88.4137.2-174.634-33.2000112.6
184F38.2Very low42Very low201 Ų201145.7 Ų145.788%0.88283%0.826SS**  trans-117.1141.2162.3-80-83.9000109.3
185S39Very low41.8Very low104 Ų104145 Ų14573%0.72783%0.834SS**  trans-154.8152.9170.5-67.60000110.3
186F37.9Very low41.7Very low194 Ų194144.8 Ų144.885%0.85183%0.832SS**  trans75.287.1177.9-62.7-79.7000118.1
187L35.9Very low42Very low186 Ų186142.8 Ų142.897%0.97484%0.835SS**  trans-122.1133.6130.1-126.677000107.1
188S40.4Very low41.4Very low107 Ų107143.4 Ų143.475%0.74883%0.834SS**  trans-131.7113.5175.3-170.40000110.4
189T37.9Very low41.4Very low136 Ų136143.1 Ų143.183%0.83483%0.832SS**  trans19.8121.2148.4-480000119.5
190A39Very low41.4Very low90 Ų90142.1 Ų142.174%0.74483%0.826SS**PPolyproline II helixtrans-97.6156.5161.600000111.7
191P44.2Very low40.9Very low124 Ų124139 Ų13981%0.80583%0.825SS**PPolyproline II helixtrans-103.7149.7163.636.1-28.9000112.6
192P43.3Very low40.9Very low122 Ų122142.8 Ų142.879%0.79283%0.827SS**PPolyproline II helixtrans-103.4157.7-178.339.1-34.2000114.2
193C42.9Very low40.7Very low143 Ų143142 Ų14297%0.96683%0.828SS**  trans162.4141.4155-930000107.5
194G39.6Very low40.7Very low81 Ų81142.1 Ų142.184%0.83583%0.829SS**  cis157.2141.5-5.500000110.1
195G38.8Very low40.7Very low77 Ų77139.9 Ų139.979%0.79483%0.827SS**  trans119.5147.1163.100000116.9
196P45.9Very low40.9Very low112 Ų112142.5 Ų142.573%0.72783%0.832SS**  trans-115.1174-161.942.3-31.3000114.3
197N46.5Very low40.8Very low165 Ų165142.1 Ų142.188%0.88283%0.833SS**  trans-161.5121144.6-89.6-46.4000110.1
198D35.2Very low40.9Very low148 Ų148144 Ų14479%0.79183%0.827SS**  trans-66.9151.8162.9-59.6-86.7000110.9
199I47.4Very low41Very low165 Ų165144 Ų14485%0.84683%0.825SS**  trans-158.4133.8145.8-97.6141.5000110.2
200D40.3Very low40.9Very low147 Ų147142.3 Ų142.379%0.78682%0.818SS**  trans-25.4133.5-175.5-69.8-60.3000122.9
201M35.3Very low41Very low178 Ų178142 Ų14288%0.87781%0.81SS**  trans-14.9119.4133.4-71.5-79.4-129.200117
202R42Very low40.8Very low246 Ų246144 Ų14493%0.92881%0.809SS**  trans-164.3108.7138-109.1166.5-165.9-165.74.6111.6
203T41.8Very low40.5Very low137 Ų137145.9 Ų145.984%0.8481%0.813SS**  trans-74.3154.1160.244.70000110
204P44.3Very low40.3Very low121 Ų121147.1 Ų147.179%0.78681%0.806SS**  -138.4152109.634.9-22.4000114.7
205N37.3Very low40.4Very low155 Ų155151.3 Ų151.383%0.82981%0.808SS**  trans-11.9131.1166-63.3-34.5000118.5
206D42.7Very low40.4Very low158 Ų158156.3 Ų156.385%0.84582%0.816SS**  trans-145.3155.3133.4-119.8-35.1000111.9
207H36.7Very low39.9Very low187 Ų187154.5 Ų154.587%0.86682%0.818SS**  trans-67133.8-161.2-64.6-24.5000115.4
208R37.5Very low39.6Very low226 Ų226152.7 Ų152.785%0.85382%0.818SS**  trans-134.7122.1162.6-172.6176176.5-175.8-1.4110.6
209P43.4Very low40.1Very low107 Ų107156.3 Ų156.370%0.69582%0.822SS**  trans-70.7149.8178.229.6-34.4000111.3S211P209-S211 PolarHBondContact O-N 3.47Å
210S34.6Very low40Very low99 Ų99158 Ų15869%0.69282%0.824SS**  trans-57.6135.3175.5-176.60000111.1Q212S210-Q212 PolarHBondContact OG-N 2.97Å
211S42.1Very low40.1Very low83 Ų83154.7 Ų154.758%0.5883%0.825SS**  trans-129.543.9166.3-60.90000110.6P209 D213P209-S211 PolarHBondContact O-N 3.47Å; S211-D213 VanDerWaalsContact C-N 3.25Å; S211-D213 PolarHBondContact O-N 2.76Å
212Q38.8Very low40.4Very low168 Ų168153 Ų15379%0.78582%0.823SS**  trans-73.789.2148.5-77.4179.1-35.200107.2S210S210-Q212 PolarHBondContact OG-N 2.97Å
213D37.1Very low40.2Very low161 Ų161145.9 Ų145.986%0.86181%0.812SS**  trans16851.3156.5-86.2-16.7000111.2S211S211-D213 VanDerWaalsContact C-N 3.25Å; S211-D213 PolarHBondContact O-N 2.76Å
214M38.9Very low40.3Very low168 Ų168145.7 Ų145.783%0.82881%0.813SS**  trans-132.235.9171-74.4-153.1-61.300112.8
215L41.8Very low40.8Very low169 Ų169145.1 Ų145.189%0.88581%0.807SS**SBendtrans-126.816.6-175.7-116.3158.5000114.5
216L39.3Very low41Very low182 Ų182142.1 Ų142.195%0.95381%0.813SS**SBendtrans-160.979.7171.3-144.570.8000112.3
217G34.8Very low41.4Very low75 Ų75143.3 Ų143.377%0.77381%0.811SS**  trans-167.5-24.1-178.100000120.6Y219G217-Y219 PolarHBondContact O-N 3.3Å
218S40Very low41.7Very low126 Ų126144 Ų14488%0.88181%0.814SS**  trans-87.13.9-170.3-59.50000116.5F220S218-F220 PolarHBondContact O-N 3.29Å
219Y45.1Very low42.3Very low225 Ų225140.1 Ų140.188%0.88281%0.805SS**SBendtrans-92.163.4174-85.4-86.2000112.1G217G217-Y219 PolarHBondContact O-N 3.3Å
220F47.3Very low42.8Very low201 Ų201145.5 Ų145.588%0.88281%0.812SS**  trans-174.980152.3-96.2-61.3000110.3S218 V222S218-F220 PolarHBondContact O-N 3.29Å; F220-V222 PolarHBondContact O-N 3.49Å
221G40.5Very low43.9Very low77 Ų77146.7 Ų146.779%0.79482%0.817SS**  trans-71.591.9177.700000113.1S223G221-S223 PolarHBondContact O-N 3.04Å; G221-S223 VanDerWaalsContact O-N 3.15Å
222V42.2Very low44.7Very low141 Ų141149.9 Ų149.986%0.85582%0.821SS**  trans-65.7105166.9-85.20000110.6F220F220-V222 PolarHBondContact O-N 3.49Å
223S38Very low45.9Very low98 Ų98148.9 Ų148.969%0.68581%0.814SS**  trans-86.3125169.7-71.30000110.6G221 T225G221-S223 PolarHBondContact O-N 3.04Å; G221-S223 VanDerWaalsContact O-N 3.15Å; S223-T225 VanDerWaalsContact C-N 3.29Å; S223-T225 PolarHBondContact O-N 3.16Å
224P44.5Very low47.2Very low132 Ų132145.3 Ų145.386%0.85781%0.807SS**  trans-80.873.5-179.633.8-35.4000110.9
225T53.8Low48.6Very low110 Ų110144 Ų14468%0.67579%0.794SS**  trans-130.5111.8168.360.20000109.7S223 K227S223-T225 VanDerWaalsContact C-N 3.29Å; S223-T225 PolarHBondContact O-N 3.16Å; T225-K227 VanDerWaalsContact C-N 3.32Å; T225-K227 PolarHBondContact O-N 3.32Å
226G41.7Very low49.9Very low92 Ų92139.4 Ų139.495%0.94877%0.77SS**  trans-65.677.6-170.400000115
227K51.3Low51.3Low182 Ų182135.3 Ų135.379%0.79175%0.754SS**SBendtrans-129.7127161.9-64.5-175.3-179.6-177.60106.7T225 Q229T225-K227 VanDerWaalsContact C-N 3.32Å; T225-K227 PolarHBondContact O-N 3.32Å; K227-Q229 PolarHBondContact O-N 2.81Å
228H43.2Very low53.2Low203 Ų203138.9 Ų138.994%0.9475%0.753SS**  trans-60.696.5-178.9-74.6-80.4000110.9R230H228-R230 PolarHBondContact O-N 3.36Å
229Q49.4Very low54.6Low144 Ų144134.7 Ų134.767%0.67372%0.72SS**  trans-66.6111.7170.7-165.975.831.200107K227 F232K227-Q229 PolarHBondContact O-N 2.81Å; Q229-F232 HydrophobicContact CG-CE2 4.19Å; Q229-F232 VanDerWaalsContact NE2-CZ 3.3Å
230R53.9Low55.6Low219 Ų219126 Ų12683%0.82669%0.692SS**PPolyproline II helixtrans-54134.7167.7-85.7-175.4171.1-130.7-0.6107.9H228 F232H228-R230 PolarHBondContact O-N 3.36Å; R230-F232 PolarHBondContact O-N 3.2Å; R230-F232 VanDerWaalsContact O-N 3.12Å
231P59.2Low56.4Low125 Ų125120.4 Ų120.481%0.81267%0.669SS**PPolyproline II helixtrans-59.1122176.624.4-32.9000108.7K233P231-K233 PolarHBondContact O-N 3.34Å
232F57.8Low57.6Low149 Ų149117.3 Ų117.365%0.65464%0.635SS**PPolyproline II helixtrans-61129.8173.8-73.6-80.6000108.5Q229 R230 A234Q229-F232 HydrophobicContact CG-CE2 4.19Å; Q229-F232 VanDerWaalsContact NE2-CZ 3.3Å; R230-F232 PolarHBondContact O-N 3.2Å; R230-F232 VanDerWaalsContact O-N 3.12Å; F232-A234 PolarHBondContact O-N 3.23Å
233K63.3Low58.5Low147 Ų147113 Ų11364%0.63962%0.615SS**PPolyproline II helixtrans-62120.4171.3-160.479.7173-1760106.7P231 Y235 I246P231-K233 PolarHBondContact O-N 3.34Å; K233-Y235 PolarHBondContact O-N 2.89Å; K233-I246 WeakPolarHBondContact O-CG1 3.36Å
234A66Low59.3Low86 Ų86113.6 Ų113.671%0.71161%0.61SS**PPolyproline II helixtrans-61.7137.2-179.400000110.3F232 N236F232-A234 PolarHBondContact O-N 3.23Å; A234-N236 PolarHBondContact O-N 2.93Å
235Y67.6Low59.9Low140 Ų140112.7 Ų112.755%0.54959%0.594SS.*PPolyproline II helixtrans-62.3120.4172.6168.7-109.2000109.4K233 P237 A243K233-Y235 PolarHBondContact O-N 2.89Å; Y235-P237 HydrophobicContact CE1-CB 3.87Å; Y235-P237 WeakPolarHBondContact O-CD 3.39Å; Y235-A243 HydrophobicContact CD2-CB 4.07Å; Y235-A243 HydrophobicContact CE2-CB 4Å
236N70Confident60Low74 Ų74110.6 Ų110.640%0.39658%0.578SS.*  trans-94.4111.6171-178.84.6000108.8A234 M238 D239A234-N236 PolarHBondContact O-N 2.93Å; N236-M238 PolarHBondContact O-N 3.42Å; N236-M238 VanDerWaalsContact O-N 3.11Å; N236-M238 WeakPolarHBondContact OD1-CB 3.37Å; N236-M238 PolarHBondContact OD1-N 2.89Å; N236-D239 CarbonylContact O-C 3.6Å; N236-D239 PolarHBondContact O-N 3.16Å; N236-D239 VanDerWaalsContact O-O 3.11Å
237P67.5Low60.4Low95 Ų95109.7 Ų109.762%0.61756%0.557SS**THydrogen-bonded Turntrans-64.2-15.4178.826.9-34.8000113.5Y235Y235-P237 HydrophobicContact CE1-CB 3.87Å; Y235-P237 WeakPolarHBondContact O-CD 3.39Å
238M75.2Confident60.1Low151 Ų151104.9 Ų104.974%0.74456%0.559SS**THydrogen-bonded Turntrans-88.1-8175.5-60.8-57.6-61.900114N236N236-M238 PolarHBondContact O-N 3.42Å; N236-M238 VanDerWaalsContact O-N 3.11Å; N236-M238 WeakPolarHBondContact OD1-CB 3.37Å; N236-M238 PolarHBondContact OD1-N 2.89Å
239D69.6Low60.3Low37 Ų37101 Ų10120%0.19855%0.545CS..  trans-127106.4172.2169.941.7000111.3N236 M241 S242 R291N236-D239 CarbonylContact O-C 3.6Å; N236-D239 PolarHBondContact O-N 3.16Å; N236-D239 VanDerWaalsContact O-O 3.11Å; D239-M241 PolarHBondContact O-N 2.96Å; D239-M241 VanDerWaalsContact O-N 3.12Å; D239-M241 PolarHBondContact OD1-N 2.9Å; D239-M241 VanDerWaalsContact OD1-N 3.09Å; D239-S242 VanDerWaalsContact O-CB 3.26Å; D239-S242 WeakPolarHBondContact O-CB 3.48Å; D239-S242 PolarHBondContact O-N 3.4Å; D239-S242 PolarHBondContact OD2-N 2.94Å; D239-S242 PolarHBondContact OD2-OG 2.94Å; D239-R291 IonicContact OD1-NH2 3.13Å; D239-R291 PolarHBondContact OD1-NH2 2.89Å; D239-R291 VanDerWaalsContact OD1-NH2 3.13Å
240P65.1Low59.9Low44 Ų44101.5 Ų101.529%0.28655%0.552SS.*THydrogen-bonded Turntrans-65.5-16.1-179.626-34.5000114.1S242 L287P240-S242 VanDerWaalsContact C-N 3.33Å; P240-L287 HydrophobicContact CB-CD1 3.71Å; P240-L287 HydrophobicContact CB-CD2 4.15Å; P240-L287 HydrophobicContact CB-CG 4.42Å; P240-L287 HydrophobicContact CG-CD1 3.67Å; P240-L287 HydrophobicContact CG-CD2 3.97Å; P240-L287 HydrophobicContact CG-CG 4.06Å
241M64.6Low59.2Low82 Ų8297 Ų9740%0.40454%0.544SS..Hα-helixtrans-76.5-19.6171.1-67.2-156.7-24.700113.4D239 A243 L244 Q245D239-M241 PolarHBondContact O-N 2.96Å; D239-M241 VanDerWaalsContact O-N 3.12Å; D239-M241 PolarHBondContact OD1-N 2.9Å; D239-M241 VanDerWaalsContact OD1-N 3.09Å; M241-A243 PolarHBondContact O-N 3.15Å; M241-L244 WeakPolarHBondContact O-CA 3.24Å; M241-L244 PolarHBondContact O-N 2.98Å; M241-Q245 WeakPolarHBondContact O-CG 3.23Å; M241-Q245 PolarHBondContact O-N 2.81Å
242S65.1Low58.5Low12 Ų1296.5 Ų96.58%0.08454%0.541CS..Hα-helixtrans-61.8-29177.9-68.90000111.7D239 P240 I246D239-S242 VanDerWaalsContact O-CB 3.26Å; D239-S242 WeakPolarHBondContact O-CB 3.48Å; D239-S242 PolarHBondContact O-N 3.4Å; D239-S242 PolarHBondContact OD2-N 2.94Å; D239-S242 PolarHBondContact OD2-OG 2.94Å; P240-S242 VanDerWaalsContact C-N 3.33Å; S242-I246 WeakPolarHBondContact O-CD1 3.39Å; S242-I246 VanDerWaalsContact O-CG1 3.28Å; S242-I246 WeakPolarHBondContact O-CG1 3.37Å
243A60.7Low57.8Low52 Ų5296 Ų9643%0.4354%0.544SS..Hα-helixtrans-65.6-40.4169.600000113.1Y235 M241 I246Y235-A243 HydrophobicContact CD2-CB 4.07Å; Y235-A243 HydrophobicContact CE2-CB 4Å; M241-A243 PolarHBondContact O-N 3.15Å; A243-I246 PolarHBondContact O-N 2.93Å
244L56.3Low56.7Low110 Ų11099 Ų9958%0.57655%0.551SS**Hα-helixtrans-75-28.6180-65.4172.8000112.5M241 I246M241-L244 WeakPolarHBondContact O-CA 3.24Å; M241-L244 PolarHBondContact O-N 2.98Å; L244-I246 VanDerWaalsContact C-N 3.29Å; L244-I246 PolarHBondContact O-N 3.21Å
245Q57.1Low55.6Low113 Ų113102 Ų10253%0.52855%0.55SS.*Hα-helixtrans-72.8-15.8174.9-71.8-178.1-19.300114M241 S247M241-Q245 WeakPolarHBondContact O-CG 3.23Å; M241-Q245 PolarHBondContact O-N 2.81Å; Q245-S247 PolarHBondContact O-N 2.97Å
246I55.6Low54.1Low65 Ų6598.3 Ų98.333%0.33356%0.555SS.*THydrogen-bonded Turntrans-72.9-14.6-179.7-75.6163.9000112.6K233 S242 A243 L244K233-I246 WeakPolarHBondContact O-CG1 3.36Å; S242-I246 WeakPolarHBondContact O-CD1 3.39Å; S242-I246 VanDerWaalsContact O-CG1 3.28Å; S242-I246 WeakPolarHBondContact O-CG1 3.37Å; A243-I246 PolarHBondContact O-N 2.93Å; L244-I246 VanDerWaalsContact C-N 3.29Å; L244-I246 PolarHBondContact O-N 3.21Å
247S50.1Low52.6Low73 Ų73102.2 Ų102.251%0.5158%0.576SS.*SBendtrans-113.7136.7166.7-68.90000110.4Q245 L249Q245-S247 PolarHBondContact O-N 2.97Å; S247-L249 PolarHBondContact O-N 3.22Å
248G45.2Very low51.1Low81 Ų81100.5 Ų100.584%0.83558%0.575SS**  trans-71.155177.900000113.8N250G248-N250 PolarHBondContact O-N 3.34Å
249L46.7Very low49.7Very low122 Ų12299.2 Ų99.264%0.63958%0.576SS**  trans-7749176.5-62178.1000111.8S247 L251S247-L249 PolarHBondContact O-N 3.22Å; L249-L251 HydrophobicContact CB-CD1 4.08Å; L249-L251 HydrophobicContact CD2-CD1 3.85Å; L249-L251 PolarHBondContact O-N 3.11Å
250N40.8Very low48.1Very low155 Ų155104.8 Ų104.883%0.82961%0.606SS**  trans-69.583.8148.7-97.4-66.2000106.8G248 P252G248-N250 PolarHBondContact O-N 3.34Å; N250-P252 WeakPolarHBondContact O-CD 3.45Å
251L39.4Very low47Very low124 Ų124111 Ų11165%0.64964%0.636SS**  trans-77.6107.4159.2-88.674.3000106.5L249 L253L249-L251 HydrophobicContact CB-CD1 4.08Å; L249-L251 HydrophobicContact CD2-CD1 3.85Å; L249-L251 PolarHBondContact O-N 3.11Å; L251-L253 PolarHBondContact O-N 3.36Å; L251-L253 VanDerWaalsContact O-N 3.1Å
252P45.3Very low45.7Very low115 Ų115114.9 Ų114.975%0.74766%0.655SS**  trans-62.8117.7168.526.7-33000108N250 R254N250-P252 WeakPolarHBondContact O-CD 3.45Å; P252-R254 PolarHBondContact O-N 3.39Å
253L42.7Very low44.7Very low138 Ų138120.3 Ų120.372%0.72369%0.69SS**  trans-63.687.7165.4-88.172.6000107.8L251 H255L251-L253 PolarHBondContact O-N 3.36Å; L251-L253 VanDerWaalsContact O-N 3.1Å; L253-H255 PolarHBondContact O-N 3.16Å; L253-H255 PolarHBondContact O-ND1 3.14Å
254R40.8Very low43.7Very low210 Ų210127.4 Ų127.479%0.79271%0.711SS**  trans-71.384.7171.5-167.8177.9-172-89.6-4.8108.2P252P252-R254 PolarHBondContact O-N 3.39Å
255H43.1Very low42.9Very low148 Ų148125.3 Ų125.369%0.68572%0.716SS**  trans-52.4145.6170.4-73.975.2000109.8L253L253-H255 PolarHBondContact O-N 3.16Å; L253-H255 PolarHBondContact O-ND1 3.14Å
256G35.2Very low42.2Very low63 Ų63126.8 Ų126.865%0.64973%0.733SS**SBendtrans-64.1135.8-170.700000112.8
257N38Very low41.2Very low156 Ų156129.6 Ų129.683%0.83476%0.759SS**  trans179.7122.9135.6-88.4-19.7000107.6
258G36.5Very low40.7Very low59 Ų59132.1 Ų132.161%0.60878%0.776SS**  trans161.567.1-172.800000115.3
259T44.7Very low40.4Very low124 Ų124133.6 Ų133.676%0.76177%0.773SS**  trans54.5111.1148.560.20000120
260N36.6Very low39.9Very low154 Ų154133.3 Ų133.382%0.82478%0.782SS**  trans49.1105.8135-65.7-47.8000119
261L41.8Very low40.1Very low176 Ų176131.2 Ų131.292%0.92178%0.779SS**  -169.898.7126.4-99.8165.3000108.7
262M37.3Very low40.3Very low162 Ų162133.4 Ų133.480%0.79879%0.792SS**  trans-77.9150.4170.4-73171.364.200110.6
263P44.5Very low40.5Very low127 Ų127130.7 Ų130.783%0.82579%0.785SS**  -123.2155119.134.1-29.5000113
264K39.2Very low41.3Very low201 Ų201133.4 Ų133.487%0.87479%0.791SS**  trans-69.6145.1-173.7-62.8166.8175.5174.90112.2
265G39.5Very low42.4Very low65 Ų65130.1 Ų130.167%0.6779%0.794SS**  trans-176.598.2168.700000113.8
266T42.8Very low43.5Very low145 Ų145127.6 Ų127.689%0.8979%0.785SS**  trans46.8108.9160.258.10000119.3
267S34.9Very low45.6Very low124 Ų124127.7 Ų127.787%0.86778%0.776SS**  trans-67128.8161.950.10000112.8
268S39.9Very low47.6Very low125 Ų125125.3 Ų125.387%0.87477%0.767SS**  trans-142.3152.8149.665.50000109.7
269S39.6Very low49.7Very low112 Ų112125.4 Ų125.478%0.78376%0.762SS**  trans-110.1148.5-154.852.20000114.4
270S34.6Very low51.4Low117 Ų117124 Ų12482%0.81875%0.747SS**  trans60.796.8145.4-161.40000118.7
271S45.1Very low53.7Low110 Ų110122.8 Ų122.877%0.76973%0.732SS**  trans-151.8149.6131.465.60000109.8G273S271-G273 PolarHBondContact O-N 3.36Å
272N45Very low55.9Low171 Ų171118.6 Ų118.691%0.91471%0.709SS**  trans-78.648.2-172.7-73.1-47.4000113.5K274N272-K274 PolarHBondContact O-N 3.03Å; N272-K274 VanDerWaalsContact O-N 3.14Å
273G48.9Very low58.2Low58 Ų58113.3 Ų113.360%0.59869%0.687SS**  trans-76.992.617700000112.2S271 T275S271-G273 PolarHBondContact O-N 3.36Å; G273-T275 PolarHBondContact O-N 2.94Å
274K59.4Low60.1Low195 Ų195110.1 Ų110.185%0.84866%0.663SS**  trans-63.5105.7163-70.7-179.8-178.3175.70108.2N272 L276N272-K274 PolarHBondContact O-N 3.03Å; N272-K274 VanDerWaalsContact O-N 3.14Å; K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 3.24Å
275T63.5Low62.4Low141 Ų141106.4 Ų106.487%0.86565%0.648SS**  trans-68.790.5174.453.70000109.4G273G273-T275 PolarHBondContact O-N 2.94Å
276L66.1Low64.4Low95 Ų95108.7 Ų108.750%0.49764%0.644SS.*  trans-61.4135.4172.8-71.8166.4000109.4K274 Q280K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 3.24Å; L276-Q280 HydrophobicContact CB-CB 4.25Å; L276-Q280 HydrophobicContact CD2-CB 4Å
277S80.6Confident66.5Low64 Ų64103.5 Ų103.545%0.44861%0.611SS.*  trans-60.6148.7171174.50000110.1A279 Q280 Y281S277-A279 PolarHBondContact O-N 3.47Å; S277-A279 VanDerWaalsContact O-N 3.08Å; S277-A279 PolarHBondContact OG-N 2.97Å; S277-Q280 WeakPolarHBondContact O-CA 3.47Å; S277-Q280 WeakPolarHBondContact O-CB 3.38Å; S277-Q280 PolarHBondContact O-N 3.29Å; S277-Y281 PolarHBondContact O-N 3.28Å
278T79.9Confident69Low107 Ų107102 Ų10266%0.65659%0.59SS**Hα-helixtrans-50.2-37.3173.5-46.60000111.5Q280 Y281 L282T278-Q280 PolarHBondContact O-N 3.1Å; T278-Y281 PolarHBondContact O-N 3.4Å; T278-L282 HydrophobicContact CG2-CD1 4.19Å; T278-L282 HydrophobicContact CG2-CG 4.42Å; T278-L282 WeakPolarHBondContact O-CB 3.47Å; T278-L282 VanDerWaalsContact O-CG 3.25Å; T278-L282 WeakPolarHBondContact O-CG 3.41Å; T278-L282 PolarHBondContact O-N 2.98Å
279A79.8Confident71.3Confident60 Ų6099 Ų9950%0.49657%0.568SS.*Hα-helixtrans-64.2-37.3175.800000113.4S277 T283S277-A279 PolarHBondContact O-N 3.47Å; S277-A279 VanDerWaalsContact O-N 3.08Å; S277-A279 PolarHBondContact OG-N 2.97Å; A279-T283 WeakPolarHBondContact O-CB 3.47Å; A279-T283 PolarHBondContact O-N 2.9Å; A279-T283 VanDerWaalsContact O-N 3.11Å; A279-T283 PolarHBondContact O-OG1 3.05Å
280Q81Confident73.7Confident95 Ų9599.9 Ų99.944%0.44456%0.555SS.*Hα-helixtrans-70.5-46.1174.3-65.6175.4-7600110.7L276 S277 T278 L282 T283 D284L276-Q280 HydrophobicContact CB-CB 4.25Å; L276-Q280 HydrophobicContact CD2-CB 4Å; S277-Q280 WeakPolarHBondContact O-CA 3.47Å; S277-Q280 WeakPolarHBondContact O-CB 3.38Å; S277-Q280 PolarHBondContact O-N 3.29Å; T278-Q280 PolarHBondContact O-N 3.1Å; Q280-L282 PolarHBondContact O-N 2.94Å; Q280-T283 PolarHBondContact O-N 3.39Å; Q280-T283 VanDerWaalsContact O-N 3.09Å; Q280-D284 WeakPolarHBondContact O-CB 3.37Å; Q280-D284 PolarHBondContact O-N 3.2Å
281Y83.7Confident76.3Confident129 Ų12999.2 Ų99.251%0.50653%0.534SS..Hα-helixtrans-56.1-47.5177-178.6-90.1000112.1S277 T278 T283 Q285S277-Y281 PolarHBondContact O-N 3.28Å; T278-Y281 PolarHBondContact O-N 3.4Å; Y281-T283 VanDerWaalsContact C-N 3.33Å; Y281-T283 PolarHBondContact O-N 3.43Å; Y281-Q285 HydrophobicContact CD2-CG 3.87Å; Y281-Q285 HydrophobicContact CE1-CB 4.38Å; Y281-Q285 HydrophobicContact CE2-CB 4.24Å; Y281-Q285 HydrophobicContact CE2-CG 3.71Å; Y281-Q285 HydrophobicContact CG-CG 4.44Å; Y281-Q285 VanDerWaalsContact O-CB 3.28Å; Y281-Q285 WeakPolarHBondContact O-CB 3.32Å; Y281-Q285 PolarHBondContact O-N 3.35Å
282L88.1Confident78.4Confident87 Ų8799.9 Ų99.946%0.45553%0.526SS..Hα-helixtrans-63.8-37.7176.6-66.6173.4000112.3T278 Q280 L286 L287T278-L282 HydrophobicContact CG2-CD1 4.19Å; T278-L282 HydrophobicContact CG2-CG 4.42Å; T278-L282 WeakPolarHBondContact O-CB 3.47Å; T278-L282 VanDerWaalsContact O-CG 3.25Å; T278-L282 WeakPolarHBondContact O-CG 3.41Å; T278-L282 PolarHBondContact O-N 2.98Å; Q280-L282 PolarHBondContact O-N 2.94Å; L282-L286 HydrophobicContact CD2-CD1 3.78Å; L282-L286 WeakPolarHBondContact O-CB 3.44Å; L282-L286 PolarHBondContact O-N 2.93Å; L282-L287 PolarHBondContact O-N 2.87Å
283T86.5Confident80.5Confident52 Ų5297.4 Ų97.432%0.31950%0.504SS..Iπ-helixtrans-67.4-49.7178.3-58.40000111.4A279 Q280 Y281 L287 Q288A279-T283 WeakPolarHBondContact O-CB 3.47Å; A279-T283 PolarHBondContact O-N 2.9Å; A279-T283 VanDerWaalsContact O-N 3.11Å; A279-T283 PolarHBondContact O-OG1 3.05Å; Q280-T283 PolarHBondContact O-N 3.39Å; Q280-T283 VanDerWaalsContact O-N 3.09Å; Y281-T283 VanDerWaalsContact C-N 3.33Å; Y281-T283 PolarHBondContact O-N 3.43Å; T283-L287 WeakPolarHBondContact O-CB 3.24Å; T283-L287 PolarHBondContact O-N 2.95Å; T283-Q288 WeakPolarHBondContact O-CG 3.41Å; T283-Q288 PolarHBondContact O-N 3.49Å
284D84.6Confident82.4Confident60 Ų6097.7 Ų97.732%0.32149%0.492SS..Iπ-helixtrans-81.6-40.4-170.7-63.5-26.6000112.5Q280 Q288Q280-D284 WeakPolarHBondContact O-CB 3.37Å; Q280-D284 PolarHBondContact O-N 3.2Å; D284-Q288 PolarHBondContact OD1-NE2 3.5Å
285Q86.2Confident83.8Confident123 Ų12394 Ų9458%0.57548%0.477SS*.Iπ-helixtrans-92-23.5-173.7-63.3-68.7101.200114.7Y281Y281-Q285 HydrophobicContact CD2-CG 3.87Å; Y281-Q285 HydrophobicContact CE1-CB 4.38Å; Y281-Q285 HydrophobicContact CE2-CB 4.24Å; Y281-Q285 HydrophobicContact CE2-CG 3.71Å; Y281-Q285 HydrophobicContact CG-CG 4.44Å; Y281-Q285 VanDerWaalsContact O-CB 3.28Å; Y281-Q285 WeakPolarHBondContact O-CB 3.32Å; Y281-Q285 PolarHBondContact O-N 3.35Å
286L83Confident84.8Confident112 Ų11293.4 Ų93.459%0.58647%0.465SS*.Iπ-helixtrans-114.3-47.1178.8-69.4172.6000112.2L282 Y290L282-L286 HydrophobicContact CD2-CD1 3.78Å; L282-L286 WeakPolarHBondContact O-CB 3.44Å; L282-L286 PolarHBondContact O-N 2.93Å; L286-Y290 PolarHBondContact O-N 2.87Å
287L87.1Confident85.5Confident36 Ų3693.7 Ų93.719%0.18847%0.465CS..Iπ-helixtrans-81.5-37.6-168.2-156.763.4000114.2P240 L282 T283 Y290 R291P240-L287 HydrophobicContact CB-CD1 3.71Å; P240-L287 HydrophobicContact CB-CD2 4.15Å; P240-L287 HydrophobicContact CB-CG 4.42Å; P240-L287 HydrophobicContact CG-CD1 3.67Å; P240-L287 HydrophobicContact CG-CD2 3.97Å; P240-L287 HydrophobicContact CG-CG 4.06Å; L282-L287 PolarHBondContact O-N 2.87Å; T283-L287 WeakPolarHBondContact O-CB 3.24Å; T283-L287 PolarHBondContact O-N 2.95Å; L287-Y290 PolarHBondContact O-N 3.08Å; L287-R291 PolarHBondContact O-N 3.49Å; L287-R291 VanDerWaalsContact O-N 3.08Å
288Q85.7Confident85.4Confident93 Ų9396.6 Ų96.644%0.43547%0.471SS..Hα-helixtrans-62.7-48.9175-73.7-162.943.400112.6T283 D284 Y290 R291 Q292T283-Q288 WeakPolarHBondContact O-CG 3.41Å; T283-Q288 PolarHBondContact O-N 3.49Å; D284-Q288 PolarHBondContact OD1-NE2 3.5Å; Q288-Y290 VanDerWaalsContact C-N 3.31Å; Q288-Y290 PolarHBondContact O-N 3.07Å; Q288-R291 PolarHBondContact O-N 3.41Å; Q288-Q292 PolarHBondContact O-N 3.25Å
289P89.7Confident85.4Confident62 Ų6297 Ų9740%0.40347%0.466SS..Hα-helixtrans-58.4-40.1175.7-26.835.9000113.2R291 Q292 Y293P289-R291 PolarHBondContact O-N 3.04Å; P289-Q292 PolarHBondContact O-N 3.05Å; P289-Y293 PolarHBondContact O-N 3.41Å
290Y88.9Confident84.9Confident130 Ų13097.3 Ų97.351%0.5147%0.468SS..Hα-helixtrans-64.6-39.9177.6-173.8-113.7000112.6L286 L287 Q288 Y293 L294L286-Y290 PolarHBondContact O-N 2.87Å; L287-Y290 PolarHBondContact O-N 3.08Å; Q288-Y290 VanDerWaalsContact C-N 3.31Å; Q288-Y290 PolarHBondContact O-N 3.07Å; Y290-Y293 PolarHBondContact O-N 2.9Å; Y290-L294 HydrophobicContact CD1-CD1 4.07Å; Y290-L294 HydrophobicContact CE1-CD1 3.6Å; Y290-L294 HydrophobicContact CE1-CG 4.26Å; Y290-L294 HydrophobicContact CE2-CG 4.48Å; Y290-L294 WeakPolarHBondContact O-CG 3.39Å; Y290-L294 PolarHBondContact O-N 2.67Å
291R88.8Confident83.9Confident103 Ų10397.7 Ų97.739%0.38948%0.481SS..Hα-helixtrans-62.4-41.1173-79.6179164.1168.6-4.6112.2D239 L287 Q288 P289 L294 Q295D239-R291 IonicContact OD1-NH2 3.13Å; D239-R291 PolarHBondContact OD1-NH2 2.89Å; D239-R291 VanDerWaalsContact OD1-NH2 3.13Å; L287-R291 PolarHBondContact O-N 3.49Å; L287-R291 VanDerWaalsContact O-N 3.08Å; Q288-R291 PolarHBondContact O-N 3.41Å; P289-R291 PolarHBondContact O-N 3.04Å; R291-L294 PolarHBondContact O-N 3.49Å; R291-Q295 PolarHBondContact O-N 3.46Å; R291-Q295 VanDerWaalsContact O-N 3.11Å
292Q90.4Very high82.7Confident125 Ų12595.5 Ų95.558%0.58449%0.485SS*.Hα-helixtrans-64.4-43.4176.3-71.3176.5-2200112Q288 P289 Q295 Q296Q288-Q292 PolarHBondContact O-N 3.25Å; P289-Q292 PolarHBondContact O-N 3.05Å; Q292-Q295 PolarHBondContact O-N 3.2Å; Q292-Q296 PolarHBondContact O-N 2.99Å
293Y89.2Confident80.8Confident118 Ų11896.1 Ų96.146%0.46349%0.493SS..Hα-helixtrans-59.3-47.2175.7173.5-105.9000112.5P289 Y290 Q295 Q296 M297P289-Y293 PolarHBondContact O-N 3.41Å; Y290-Y293 PolarHBondContact O-N 2.9Å; Y293-Q295 VanDerWaalsContact C-N 3.27Å; Y293-Q295 PolarHBondContact O-N 3.37Å; Y293-Q296 PolarHBondContact O-N 2.93Å; Y293-M297 HydrophobicContact CD2-CG 4.45Å; Y293-M297 HydrophobicContact CE1-CG 4.11Å; Y293-M297 HydrophobicContact CE2-CG 4Å; Y293-M297 HydrophobicContact CE2-SD 4.24Å; Y293-M297 WeakPolarHBondContact O-CG 3.24Å; Y293-M297 PolarHBondContact O-N 3.27Å
294L89.2Confident79.1Confident65 Ų6599.1 Ų99.134%0.3451%0.513SS..Hα-helixtrans-61.3-35.9176.3-70.5177.8000112.6Y290 R291 Q298Y290-L294 HydrophobicContact CD1-CD1 4.07Å; Y290-L294 HydrophobicContact CE1-CD1 3.6Å; Y290-L294 HydrophobicContact CE1-CG 4.26Å; Y290-L294 HydrophobicContact CE2-CG 4.48Å; Y290-L294 WeakPolarHBondContact O-CG 3.39Å; Y290-L294 PolarHBondContact O-N 2.67Å; R291-L294 PolarHBondContact O-N 3.49Å; L294-Q298 WeakPolarHBondContact O-CG 3.33Å; L294-Q298 PolarHBondContact O-N 3.39Å; L294-Q298 VanDerWaalsContact O-N 3.16Å
295Q87Confident77.2Confident116 Ų116103.5 Ų103.554%0.54254%0.536SS..Hα-helixtrans-69.6-40176.3-169.5168.331.500112R291 Q292 Y293 Q298 Q299R291-Q295 PolarHBondContact O-N 3.46Å; R291-Q295 VanDerWaalsContact O-N 3.11Å; Q292-Q295 PolarHBondContact O-N 3.2Å; Y293-Q295 VanDerWaalsContact C-N 3.27Å; Y293-Q295 PolarHBondContact O-N 3.37Å; Q295-Q298 PolarHBondContact O-N 2.92Å; Q295-Q299 WeakPolarHBondContact O-CG 3.4Å; Q295-Q299 PolarHBondContact O-N 2.96Å
296Q85.1Confident75.2Confident130 Ų130103.3 Ų103.361%0.60755%0.546SS*.Hα-helixtrans-63.9-41.1175.1-169.2176.329.900111.7Q292 Y293 Q298 Q299 A300Q292-Q296 PolarHBondContact O-N 2.99Å; Y293-Q296 PolarHBondContact O-N 2.93Å; Q296-Q298 PolarHBondContact O-N 2.95Å; Q296-Q299 PolarHBondContact O-N 2.83Å; Q296-A300 WeakPolarHBondContact O-CB 3.44Å; Q296-A300 PolarHBondContact O-N 3.11Å
297M80.4Confident73.2Confident100 Ų100105.4 Ų105.449%0.49356%0.557SS.*Hα-helixtrans-62.4-40.4175.6-73.9-62.2-61.600112.7Y293 A300 S301Y293-M297 HydrophobicContact CD2-CG 4.45Å; Y293-M297 HydrophobicContact CE1-CG 4.11Å; Y293-M297 HydrophobicContact CE2-CG 4Å; Y293-M297 HydrophobicContact CE2-SD 4.24Å; Y293-M297 WeakPolarHBondContact O-CG 3.24Å; Y293-M297 PolarHBondContact O-N 3.27Å; M297-A300 PolarHBondContact O-N 3.05Å; M297-S301 PolarHBondContact O-N 3.13Å; M297-S301 VanDerWaalsContact O-N 3.16Å
298Q80.3Confident71.3Confident126 Ų126109.2 Ų109.259%0.58959%0.587SS**Hα-helixtrans-65.8-41.8175.1-72.3173.634.300111.7L294 Q295 Q296 S301 S302L294-Q298 WeakPolarHBondContact O-CG 3.33Å; L294-Q298 PolarHBondContact O-N 3.39Å; L294-Q298 VanDerWaalsContact O-N 3.16Å; Q295-Q298 PolarHBondContact O-N 2.92Å; Q296-Q298 PolarHBondContact O-N 2.95Å; Q298-S301 PolarHBondContact O-N 3.09Å; Q298-S301 PolarHBondContact O-OG 3.45Å; Q298-S302 PolarHBondContact O-N 3.37Å
299Q78.2Confident69.2Low114 Ų114110 Ų11053%0.53360%0.6SS.*Hα-helixtrans-62.9-44.5175.8-71.7174.99.400111.8Q295 Q296 S301 S302Q295-Q299 WeakPolarHBondContact O-CG 3.4Å; Q295-Q299 PolarHBondContact O-N 2.96Å; Q296-Q299 PolarHBondContact O-N 2.83Å; Q299-S301 VanDerWaalsContact C-N 3.26Å; Q299-S301 PolarHBondContact O-N 2.69Å; Q299-S302 WeakPolarHBondContact CA-OG 3.3Å; Q299-S302 PolarHBondContact O-N 3.34Å; Q299-S302 PolarHBondContact O-OG 3.09Å
300A69.9Low67Low67 Ų67114.8 Ų114.855%0.55462%0.621SS**Hα-helixtrans-62.5-29.5177.800000113.5Q296 M297 S302 T303Q296-A300 WeakPolarHBondContact O-CB 3.44Å; Q296-A300 PolarHBondContact O-N 3.11Å; M297-A300 PolarHBondContact O-N 3.05Å; A300-S302 VanDerWaalsContact C-N 3.32Å; A300-T303 PolarHBondContact O-OG1 3.05Å
301S60.4Low64.8Low103 Ų103114.6 Ų114.672%0.7264%0.639SS**THydrogen-bonded Turntrans-80.1-917368.30000114.7M297 Q298 Q299M297-S301 PolarHBondContact O-N 3.13Å; M297-S301 VanDerWaalsContact O-N 3.16Å; Q298-S301 PolarHBondContact O-N 3.09Å; Q298-S301 PolarHBondContact O-OG 3.45Å; Q299-S301 VanDerWaalsContact C-N 3.26Å; Q299-S301 PolarHBondContact O-N 2.69Å
302S57.2Low62.6Low83 Ų83115.5 Ų115.558%0.5866%0.656SS**SBendtrans-106.8-0.8-172.973.10000115Q298 Q299 A300 P304Q298-S302 PolarHBondContact O-N 3.37Å; Q299-S302 WeakPolarHBondContact CA-OG 3.3Å; Q299-S302 PolarHBondContact O-N 3.34Å; Q299-S302 PolarHBondContact O-OG 3.09Å; A300-S302 VanDerWaalsContact C-N 3.32Å; S302-P304 VanDerWaalsContact O-CD 3.23Å; S302-P304 WeakPolarHBondContact O-CD 3.29Å
303T49.6Very low59.9Low100 Ų100114.5 Ų114.561%0.61366%0.661SS**  trans-79.2113175.351.80000110.6A300 N305A300-T303 PolarHBondContact O-OG1 3.05Å; T303-N305 PolarHBondContact O-N 3.27Å
304P50.9Low57.7Low115 Ų115114.8 Ų114.875%0.74768%0.681SS**  trans-71127.1173.729.7-33.4000110S302 P306S302-P304 VanDerWaalsContact O-CD 3.23Å; S302-P304 WeakPolarHBondContact O-CD 3.29Å; P304-P306 VanDerWaalsContact O-CD 3.28Å; P304-P306 WeakPolarHBondContact O-CD 3.5Å
305N44.6Very low55.4Low152 Ų152119 Ų11981%0.81370%0.702SS**  trans-59.6119.6175.5-73.4-40.5000110.9T303 L307T303-N305 PolarHBondContact O-N 3.27Å; N305-L307 PolarHBondContact O-N 3Å
306P43.6Very low53.4Low120 Ų120118.4 Ų118.478%0.77971%0.711SS**  trans-96.836.9-177.738.9-34.5000112.7P304P304-P306 VanDerWaalsContact O-CD 3.28Å; P304-P306 WeakPolarHBondContact O-CD 3.5Å
307L41.8Very low51.5Low155 Ų155117 Ų11781%0.81272%0.716SS**  trans-14591.6-179.5-72.8177.6000112.2N305N305-L307 PolarHBondContact O-N 3Å
308S46Very low49.9Very low117 Ų117118.7 Ų118.782%0.81873%0.732SS**  trans-155.479.7161.763.30000113.1
309P42.2Very low48.1Very low110 Ų110116 Ų11671%0.71474%0.738SS**  trans-95.8112.2155.633.2-23.1000109.3
310L44.5Very low46.5Very low162 Ų162119.2 Ų119.285%0.84876%0.758SS**  trans-164.3117.2145-130.672.2000110
311S41.3Very low45.3Very low126 Ų126121.6 Ų121.688%0.88177%0.77SS**  trans-72.4136.3162-64.80000109.2
312T42.6Very low44.5Very low122 Ų122120.4 Ų120.475%0.74877%0.774SS**  trans-132.2119155-47.90000108.6
313C34.6Very low44Very low103 Ų103122.2 Ų122.270%0.69679%0.787SS**  trans-72.1132.3178.948.10000111.7
314S42.6Very low43.7Very low124 Ų124121.7 Ų121.787%0.86779%0.793SS**  trans-104.5116.5164-67.50000109.1
315I40.6Very low43.4Very low153 Ų153120.9 Ų120.979%0.78580%0.796SS**  trans-102.9110.3-177.8-53.4167.8000108.6
316S44.6Very low43.4Very low104 Ų104118.2 Ų118.273%0.72779%0.794SS**  trans-148.297.4164.5-58.50000107.7
317S45.8Very low43.3Very low102 Ų102117.3 Ų117.371%0.71380%0.798SS**  43.911197.272.40000112.2
318T47.2Very low43.4Very low135 Ų135114 Ų11483%0.82879%0.792SS**  cis-17014649.943.80000111.3
319G40.9Very low43.6Very low70 Ų70114.8 Ų114.872%0.72279%0.792SS**  trans49.4118.614600000121.2
320L46.1Very low43.7Very low180 Ų180119.5 Ų119.594%0.94280%0.795SS**  -163.7146.8116.2-100161.4000110.3
321S44.4Very low43.9Very low118 Ų118119.2 Ų119.283%0.82579%0.79SS**  trans-80142.1-168.651.20000114.1
322G43.1Very low44.3Very low77 Ų77123 Ų12379%0.79479%0.79SS**  trans-163.963.9-17900000116.7
323S46.7Very low44.3Very low122 Ų122128.2 Ų128.285%0.85380%0.796SS**  trans39.9122.4150.2-145.90000122.7
324A44.4Very low45Very low89 Ų89126.1 Ų126.174%0.73679%0.793SS**  trans78.2118.7132.200000122.9
325A43.5Very low45.1Very low98 Ų98126.8 Ų126.881%0.8179%0.786SS**  100.1118.5124.400000121.4
326A44.5Very low45.7Very low95 Ų95128.3 Ų128.379%0.78579%0.79SS**  trans90.8109.2135.300000120.7
327A42.3Very low45.5Very low102 Ų102130.1 Ų130.184%0.84380%0.797SS**  trans67.5154.113800000119.6
328A44Very low45.3Very low85 Ų85131.5 Ų131.570%0.70280%0.804SS**  cis-169.7146-26.600000109
329V49.1Very low44.7Very low133 Ų133131.6 Ų131.681%0.80680%0.8SS**  trans72.6113.2145.1171.60000119.8
330R45.2Very low44.9Very low209 Ų209133.2 Ų133.279%0.78980%0.8SS**  trans80.8104.9136.8-151.2172.1-162.9-172.63.9118.8
331E48.4Very low44.9Very low157 Ų157131.1 Ų131.173%0.73479%0.79SS**  76.7109.271.7-175-159.5-145.700115.1
332K49.6Very low44.6Very low205 Ų205133 Ų13389%0.89179%0.791SS**  -163.5140.4127.2-117-175.3177.9-1730111.8
333R42.5Very low44.6Very low231 Ų231137.1 Ų137.187%0.87280%0.795SS**  trans-95.1163174.8-62.2-176.3-177.8-150.22.9111.4
334G50.3Low44.3Very low60 Ų60140.1 Ų140.162%0.61980%0.795SS**  trans-169.780.5169.400000112.3
335D43.1Very low44.4Very low138 Ų138145.5 Ų145.574%0.73881%0.805SS**  trans-96.6125.4172-64.3-55.5000110.1
336H54.4Low44.4Very low185 Ų185148.2 Ų148.286%0.85681%0.806SS**  trans-135.8105.1174.1-59.4-36.7000110.6
337T39.6Very low44.3Very low142 Ų142149.2 Ų149.287%0.87181%0.808SS**  trans-105.1128.5171.5-57.30000109.2
338C42.1Very low44.3Very low130 Ų130150.4 Ų150.488%0.87881%0.809SS**  trans-147.2133.9157550000111.2
339N35.1Very low44.3Very low138 Ų138149.9 Ų149.974%0.73881%0.812SS**  trans-108.8142.9180170.739.1000108.3
340S44.7Very low44Very low103 Ų103149.7 Ų149.772%0.7282%0.817SS**  trans-167.2108.1158.3-84.60000113.5
341N45Very low43.7Very low137 Ų137144.8 Ų144.873%0.73382%0.815SS**  64.9133.5124.6-55.3-10.6000121.9
342N38.3Very low44.1Very low156 Ų156143.1 Ų143.183%0.83482%0.817SS**  trans-72.8162.1168.2-48.4-56.1000111.8
343N43.5Very low43.6Very low165 Ų165139 Ų13988%0.88282%0.815SS**  trans-155.4154.2139.4-101.6-10.1000110.4
344E40.1Very low43.8Very low185 Ų185139.2 Ų139.286%0.86482%0.816SS**  trans-79.1160.5-178.3-60.1159.4121.900111.9
345E48Very low43.3Very low201 Ų201141.9 Ų141.994%0.93983%0.825SS**  trans-167150.8131.4-111.6174.9-152.800112.6
346D41.6Very low43.5Very low155 Ų155142.2 Ų142.283%0.82983%0.831SS**  trans-74.9156-174.5-80.1-60.5000114.3
347S44Very low42.9Very low117 Ų117138.5 Ų138.582%0.81883%0.826SS**  159.7142.4118.6-73.40000114.5
348S42.4Very low43Very low126 Ų126139.6 Ų139.688%0.88183%0.826SS**  trans-57.6153.4175.347.40000116
349G42.5Very low43.4Very low74 Ų74139.6 Ų139.676%0.76382%0.824SS**  trans158.492.4156.800000120
350S43.7Very low43.5Very low129 Ų129141.8 Ų141.890%0.90283%0.83SS**  trans68.7150.9144.4-149.30000121.6
351S40Very low43.2Very low106 Ų106142 Ų14274%0.74183%0.831SS**  trans-83.6152.6-171-47.70000114.5
352P56.5Low43Very low122 Ų122142.1 Ų142.179%0.79284%0.837SS**  trans-100.3112.9163.334.3-26.9000112.1
353S38.7Very low43.3Very low120 Ų120140 Ų14084%0.83983%0.832SS**  trans-94.4116.1154.8-60.60000108.8
354R45.5Very low42.9Very low235 Ų235138.7 Ų138.789%0.88783%0.83SS**  trans-134.6119.8167.3-64.7-169.989.5-164.57.2111.1
355S40.8Very low42.9Very low116 Ų116134.9 Ų134.981%0.81182%0.824SS**  trans-66.5144.6169.850.50000112.5
356V46.1Very low42.7Very low145 Ų145132 Ų13288%0.87982%0.82SS**  trans-136.6143.3156.1-171.30000109.5
357S43.7Very low42.8Very low107 Ų107130.2 Ų130.275%0.74882%0.82SS**  trans-88.1161.4-160-41.40000115.5
358L40.4Very low42.3Very low165 Ų165130.1 Ų130.186%0.86482%0.818SS**  trans-65.2160.9158-78.774.9000111.1
359P50.5Low42.5Very low129 Ų129133.4 Ų133.484%0.83882%0.816SS**  trans-129.4173.4133.537.2-28.3000114.3
360Q38.6Very low42.3Very low185 Ų185137.8 Ų137.886%0.86482%0.817SS**  trans-105.5171.3-160-158.9171.19.600113.2
361S38.3Very low42Very low107 Ų107139 Ų13975%0.74881%0.808SS**  trans-56.8154.1-177.3520000117.8
362T40.1Very low42.1Very low139 Ų139142.2 Ų142.285%0.85381%0.811SS**  trans-133.5155.5165.552.40000113
363P44.3Very low41.1Very low113 Ų113141.7 Ų141.773%0.73481%0.81SS**  trans-121165.3-165.542.8-31.3000117.7
364T34.5Very low41Very low136 Ų136142 Ų14283%0.83481%0.81SS**  trans17.6134.8151.4580000122.9
365S39.8Very low40.9Very low106 Ų106141 Ų14174%0.74181%0.812SS**  trans-166.8169.4135.564.60000115.1
366T44.8Very low40.8Very low139 Ų139143.9 Ų143.985%0.85381%0.812SS**  trans79142.7177.975.40000115.5
367S43.5Very low40.7Very low118 Ų118143.9 Ų143.983%0.82581%0.813SS**  cis-149.9-172.2-11.5-157.80000111.8
368C34.4Very low40.3Very low115 Ų115146.5 Ų146.578%0.77782%0.819SS**  trans-129159.7-170.9-50.40000115.6
369K44.8Very low40.3Very low196 Ų196142.5 Ų142.585%0.85282%0.818SS**  trans-177.699.9146.1-101.1164.2-176-176.30109.1
370Q40.1Very low39.7Very low165 Ų165141.5 Ų141.577%0.77182%0.82SS**  70.8106.292.8-86.5177.4-15.600116.8
371Q36.9Very low40Very low154 Ų154137.1 Ų137.172%0.7282%0.815SS**  54.4137.2127.5-59.3177.3-1.900118.8
372H41Very low40.1Very low174 Ų174138 Ų13881%0.80682%0.819SS**  -152.5167.454.6-69.4-83.5000116.3
373S35.3Very low40.4Very low111 Ų111139.4 Ų139.478%0.77682%0.819SS**  trans-31151179.8-47.40000122.6
374P38.4Very low40.6Very low127 Ų127139.7 Ų139.783%0.82582%0.819SS**  trans-95.6162.1170.238.7-34.1000113.9
375K42.8Very low41Very low215 Ų215139.3 Ų139.394%0.93582%0.819SS**  trans-137.5137.3160.7-115.8-177-179.3-177.50111.5
376Q38.1Very low41.3Very low175 Ų175139.6 Ų139.682%0.81882%0.821SS**  trans-89.7147.9-179.3-56.2165.32.300110.9
377T43.7Very low41.6Very low145 Ų145138.6 Ų138.689%0.8982%0.817SS**  trans-150.8140.5141.242.30000109.9
378N36.8Very low42.2Very low162 Ų162139.1 Ų139.187%0.86682%0.817SS**  trans-88.2158.5-174.5-55.6-58.9000112.4
379G39.8Very low43Very low82 Ų82142.4 Ų142.485%0.84582%0.821SS**  trans-178.5104.8168.500000111.4
380A38.2Very low42.8Very low107 Ų107139.7 Ų139.788%0.88482%0.821SS**  trans-111.5142.1-172.700000112.6
381A45.1Very low43.3Very low93 Ų93137.7 Ų137.777%0.76982%0.82SS**  trans-165.5134.7149.500000110.3
382P39.9Very low43.4Very low127 Ų127135.8 Ų135.883%0.82582%0.824SS**  trans-102.6143178.836.9-30.7000112.8
383I45.7Very low44Very low167 Ų167134 Ų13486%0.85683%0.825SS**  trans-136.5147.9168.7-49.3-179.9000110.4
384T47.9Very low44.6Very low119 Ų119133 Ų13373%0.7382%0.818SS**  trans-76159.4-164.448.80000116.4
385P43.3Very low44.6Very low129 Ų129135.2 Ų135.284%0.83882%0.817SS**  trans-86142.517334.9-33.2000113.2
386S45.8Very low44.8Very low112 Ų112130.9 Ų130.978%0.78381%0.811SS**  trans-121.8155.3172.4-73.80000111.4
387P52.4Low44.7Very low118 Ų118129.8 Ų129.877%0.76681%0.806SS**PPolyproline II helixtrans-85.9165.3-166.134.3-35.2000114.4
388P56.7Low44.8Very low128 Ų128129.7 Ų129.783%0.83181%0.805SS**PPolyproline II helixtrans-74.9148.8-164.929.3-36.6000115.4
389E49.3Very low44.6Very low184 Ų184129.8 Ų129.886%0.8680%0.801SS**PPolyproline II helixtrans-67.5149.6-177.5-70.1171.897.900114.6
390V42.3Very low44.7Very low139 Ų139131 Ų13184%0.84280%0.796SS**PPolyproline II helixtrans-94.1121.5162.6-72.10000109.2
391T49.4Very low44.6Very low123 Ų123133.6 Ų133.676%0.75579%0.79SS**  trans-10598.4174.5-37.60000110.2
392S40Very low44.5Very low114 Ų114137.3 Ų137.380%0.79779%0.791SS**  trans-77137.7163.5-63.90000109.4
393T53.2Low44.5Very low136 Ų136139.4 Ų139.483%0.83479%0.789SS**  trans-141.6136.2164.4-60.60000109.2
394S48.2Very low44.3Very low90 Ų90140.4 Ų140.463%0.62979%0.79SS**  trans-116129-157.850.90000113.1
395H38.6Very low44.2Very low174 Ų174142.5 Ų142.581%0.80679%0.791SS**  trans65.9164.8144.5-62.4-43.4000117.6
396P47Very low44.1Very low125 Ų125142.4 Ų142.481%0.81278%0.783SS**  cis-128.8178.615.640.7-22.9000117.9
397H36Very low44Very low151 Ų151144.1 Ų144.170%0.69978%0.784SS**  trans-62.2146.6176.7-90.9-126.3000114.2
398T44.3Very low43.3Very low144 Ų144144.1 Ų144.188%0.88378%0.777SS**  trans-137.5128.6135.143.20000109.6
399E33.7Very low42.8Very low164 Ų164147 Ų14777%0.76678%0.78SS**  trans-86.4138.4174.3-66.5175.1130.900110.1
400S42Very low42.2Very low108 Ų108145.6 Ų145.676%0.75577%0.772SS**  trans-150.6120.4159.1-173.90000110.1H402S400-H402 PolarHBondContact O-N 3.36Å
401H36.5Very low42.5Very low161 Ų161145.2 Ų145.275%0.74577%0.77SS**  trans-76.8118.4-179-74.8-95.8000111.1
402H41.4Very low41.9Very low170 Ų170145.2 Ų145.279%0.78777%0.766SS**  trans-124.8110.7162.4-89.64.9000112S400 H404S400-H402 PolarHBondContact O-N 3.36Å; H402-H404 PolarHBondContact O-N 3.4Å
403H40.8Very low41.7Very low171 Ų171146.1 Ų146.179%0.79277%0.77SS**  trans-59124.3175.3-76.60.1000111.4H405H403-H405 PolarHBondContact O-N 2.8Å; H403-H405 VanDerWaalsContact O-N 3.16Å
404H41.6Very low41Very low189 Ų189149 Ų14988%0.87577%0.766SS**  trans-76.197.9163.2-87.649.1000109.5H402 N406H402-H404 PolarHBondContact O-N 3.4Å; H404-N406 PolarHBondContact O-N 3.15Å; H404-N406 VanDerWaalsContact O-N 3.15Å
405H45.7Very low40.6Very low162 Ų162152.3 Ų152.375%0.7577%0.771SS**  trans-73104171.7-13583.8000109.4H403 N407H403-H405 PolarHBondContact O-N 2.8Å; H403-H405 VanDerWaalsContact O-N 3.16Å; H405-N407 PolarHBondContact O-N 3.03Å; H405-N407 VanDerWaalsContact O-N 3.16Å
406N40.3Very low40.8Very low128 Ų128151.3 Ų151.368%0.68477%0.771SS**  trans-8387.8-175.1-176.218.5000110.8H404 N408H404-N406 PolarHBondContact O-N 3.15Å; H404-N406 VanDerWaalsContact O-N 3.15Å; N406-N408 PolarHBondContact O-N 3.31Å
407N43.9Very low40.5Very low147 Ų147151.8 Ų151.879%0.78677%0.766SS**  trans-76.392.3176.7-93.7-24.5000111.7H405 H409H405-N407 PolarHBondContact O-N 3.03Å; H405-N407 VanDerWaalsContact O-N 3.16Å; N407-H409 PolarHBondContact O-N 3.27Å
408N39Very low40.5Very low119 Ų119149.3 Ų149.364%0.63677%0.772SS**  trans-63.1121.5165.4-74.7-68.6000110.6N406N406-N408 PolarHBondContact O-N 3.31Å
409H45.2Very low40.1Very low189 Ų189145.9 Ų145.988%0.87577%0.765SS**  trans-109.684.2154.3-11826.1000109.9N407 V411N407-H409 PolarHBondContact O-N 3.27Å; H409-V411 PolarHBondContact O-N 3.4Å
410H36.2Very low40.3Very low153 Ų153149.1 Ų149.171%0.70877%0.771SS**  trans-84.593.3178.6-178.2-48.3000109.3
411V48.5Very low39.9Very low131 Ų131150.5 Ų150.579%0.79478%0.779SS**  trans-89.9132168.5-1690000109.5H409H409-V411 PolarHBondContact O-N 3.4Å
412N38Very low39.9Very low124 Ų124149.4 Ų149.466%0.66378%0.778SS**  trans-52.9135.2-172-95.9-50.2000115.2
413C36.2Very low39.6Very low133 Ų133146.8 Ų146.890%0.89977%0.774SS**  trans-157.495.9141-99.90000109.7
414R37Very low39.3Very low197 Ų197143.2 Ų143.274%0.74377%0.768SS**  trans-88.2156.2168.2-89.3-176.9162.4-162.7-3109.9
415Q41.5Very low38.9Very low158 Ų158140.4 Ų140.474%0.73876%0.764SS**  trans68135.5159.8-72.6139-18.700115.6
416L42.8Very low38.6Very low153 Ų153138.4 Ų138.480%0.80177%0.769SS**  cis-136.4137.1-3.8-71.4110.5000107.4
417L38.9Very low38.7Very low135 Ų135138.5 Ų138.571%0.70778%0.776SS**  67.1112.173.8-165.664000116.7
418A37.7Very low38.7Very low100 Ų100137.5 Ų137.583%0.82678%0.78SS**  trans80.3147.3153.700000122.8
419G36Very low38.6Very low72 Ų72135.3 Ų135.374%0.74279%0.786SS**  trans89.793.917000000115.1
420R36.6Very low38.6Very low232 Ų232131.9 Ų131.988%0.87578%0.784SS**  cis63.195.533.9-131.6-172.4171.8177.2-4.9113.6
421C35.2Very low38.8Very low137 Ų137132.4 Ų132.493%0.92679%0.792SS**  trans-135.3143.3155.1-90.30000110.3
422L36.6Very low38.7Very low138 Ų138133.1 Ų133.172%0.72380%0.796SS**  trans-117.4155.9-177.5-80.1165.8000110.1
423T33.8Very low38.8Very low115 Ų115130.7 Ų130.771%0.70680%0.8SS**  trans54.699.2144.854.60000120.1
424S35Very low39.1Very low96 Ų96129.5 Ų129.567%0.67180%0.8SS**  40.9117.9112.463.70000121.2
425T33.9Very low39.5Very low129 Ų129125.2 Ų125.279%0.79180%0.8SS**  trans64.4117.2130.361.20000121.2
426S37.7Very low40Very low121 Ų121123.6 Ų123.685%0.84681%0.807SS**  -147133.4129.6-81.60000109.1
427P42.8Very low40Very low130 Ų130120 Ų12084%0.84481%0.806SS**  trans-93.4147.7176.635.7-31.9000111.8
428S43.9Very low40.1Very low125 Ų125117 Ų11787%0.87481%0.808SS**  trans-138.9132.9160.2-169.20000108.2
429G36.9Very low40.8Very low73 Ų73121 Ų12175%0.75381%0.812SS**  trans-102.8158.6-17700000112.5
430S45.7Very low41.4Very low118 Ų118124.7 Ų124.783%0.82582%0.815SS**  trans-158.6117.4157.253.20000108.9
431D39.9Very low41.6Very low164 Ų164118.6 Ų118.688%0.87781%0.808SS**  trans-70.2140.5175.3-59.4-76.7000112.3
432T47.7Very low42.2Very low145 Ų145117.7 Ų117.789%0.8980%0.803SS**  trans-156.3130.414044.20000108.5
433G39.8Very low42.7Very low73 Ų73117.8 Ų117.875%0.75381%0.809SS**  trans-105.5-148.9-174.400000115
434A42Very low43.4Very low108 Ų108118 Ų11889%0.89382%0.815SS**  trans76150.8-175.800000116.2
435S46.2Very low43.9Very low107 Ų107119.4 Ų119.475%0.74882%0.822SS**  cis-171.9160.8-31.6-168.10000108.3
436S51.1Low44.3Very low125 Ų125119.8 Ų119.887%0.87482%0.824SS**  trans64.2152.1172.374.50000117.5
437G42.6Very low44.5Very low76 Ų76119.6 Ų119.678%0.78482%0.818SS**  cis170.9161.1-6.500000112.3
438G41.5Very low44.6Very low73 Ų73118.1 Ų118.175%0.75381%0.811SS**  trans83.5121.6173.700000115.2
439M52.7Low44.5Very low183 Ų183120.2 Ų120.290%0.90181%0.807SS**  cis89.281.319-52.1178.17800118
440N48.1Very low44.9Very low151 Ų151125 Ų12581%0.80781%0.81SS**  trans171.4136.7135.947.818.4000109
441S41.3Very low44.6Very low103 Ų103124.8 Ų124.872%0.7281%0.806SS**  cis98.4131.92179.10000115.3
442S47.2Very low45.2Very low118 Ų118123.2 Ų123.283%0.82580%0.796SS**  trans78.1140.5-174.284.50000114
443T45.9Very low44.8Very low140 Ų140124.3 Ų124.386%0.85980%0.796SS**  cis-143167.211.221.20000113.5
444S49.2Very low45.3Very low119 Ų119131.3 Ų131.383%0.83280%0.8SS**  trans-71.4171.7-169.2-57.30000117.6
445P45.3Very low45.3Very low126 Ų126132 Ų13282%0.81880%0.795SS**  trans-107.4176.3-159.642-35.5000115.6
446V42.1Very low44.9Very low138 Ų138138.2 Ų138.284%0.83680%0.802SS**  trans-140.8145.6163.268.90000112.7
447T41.8Very low44.4Very low117 Ų117140.9 Ų140.972%0.71880%0.801SS**  trans-55.6152.2-17153.80000118.2
448S45.2Very low44.4Very low98 Ų98142.4 Ų142.469%0.68580%0.8SS**  149.7119.9113.7-72.40000114.9
449E42Very low44.3Very low169 Ų169146.8 Ų146.879%0.7981%0.806SS**  trans36.4109.9144.9-33.7-44.4111.100122
450E45Very low43.5Very low174 Ų174145.8 Ų145.881%0.81380%0.804SS**  171.4152.5103.6-104.4-137.4124.500113.2
451P39.1Very low43.3Very low114 Ų114146 Ų14674%0.7480%0.804SS**  trans-96.7117.1179.735.3-28.9000113.2
452I54.3Low43.1Very low131 Ų131144.6 Ų144.667%0.67281%0.805SS**  trans-110105.1176.6-60.7178.9000111.3R454I452-R454 HydrophobicContact CG2-CG 3.94Å; I452-R454 PolarHBondContact O-N 3.35Å
453D37.4Very low42.8Very low168 Ų168148.3 Ų148.390%0.89881%0.809SS**  trans-66.7115.6163-96.8-41.1000110.4
454R51.6Low42.4Very low220 Ų220147.1 Ų147.183%0.8381%0.807SS**  trans-141149.5164.2-76.6-169.2-164.4-111-2.7112.8I452I452-R454 HydrophobicContact CG2-CG 3.94Å; I452-R454 PolarHBondContact O-N 3.35Å
455P41Very low42.3Very low123 Ų123150.4 Ų150.480%0.79981%0.809SS**  trans-86.5150.4-163.133-31.4000113
456R39.1Very low42.2Very low236 Ų236149 Ų14989%0.89180%0.802SS**  trans-95.997.9-176.6-174175-177.8159.61.6112.1
457E40.2Very low42.1Very low182 Ų182149.6 Ų149.685%0.8580%0.8SS**  trans-70.7153.9162.2-65.6-174.9153.700110.8
458S42.6Very low42.3Very low108 Ų108156.2 Ų156.276%0.75581%0.812SS**  trans-119.6104.9-171.5-62.90000111.1
459N40.3Very low42Very low164 Ų164156.6 Ų156.688%0.87782%0.815SS**  trans-94137.2170.6-78.4-17.2000110.9
460N34.8Very low42.2Very low162 Ų162157.2 Ų157.287%0.86682%0.815SS**  trans-134.3119.6-178.1-159.215.5000107.2
461I44.5Very low42.1Very low157 Ų157156.5 Ų156.581%0.80582%0.816SS**  trans-124124.6177.7-62.6177000106.8
462G37.2Very low42.6Very low72 Ų72158.6 Ų158.674%0.74282%0.819SS**  trans-108.8150.9171.100000110.5
463E40Very low41.8Very low197 Ų197160.2 Ų160.292%0.92183%0.829SS**  trans-125.7157.1162-78.7-164.1116.500110.7
464S39Very low41.8Very low114 Ų114155.6 Ų155.680%0.79782%0.821SS**  trans-103.1-172.2-161.1-70.80000113.4
465Q45.9Very low41.1Very low189 Ų189153.1 Ų153.188%0.88382%0.824SS**  trans92135.7164-51-178.222.100114.6
466S42.4Very low41.4Very low96 Ų96151.7 Ų151.767%0.67182%0.817SS**  cis-161.9160.7-7.340.20000111.8
467D41.1Very low41.8Very low150 Ų150146.2 Ų146.280%0.80282%0.815SS**  trans34.1113.2151.4-59.5-49.4000121.8
468R45.9Very low42.2Very low256 Ų256145.1 Ų145.197%0.96681%0.81SS**  -158.9126.8118-111.3170.1-170.8-137.11.5112.1
469S39.9Very low42.4Very low106 Ų106143.9 Ų143.974%0.74181%0.806SS**  trans-108.4169178.358.30000112
470K44.4Very low42.7Very low183 Ų183139.8 Ų139.880%0.79680%0.795SS**  trans89.5131.3158.6-81.4-174.9176.6-176.90120.8
471L44.5Very low43.4Very low158 Ų158138.8 Ų138.883%0.82779%0.788SS**  trans78.4136.8151.1-61.9158.8000115.1
472I48.2Very low43.8Very low159 Ų159139.7 Ų139.782%0.81579%0.791SS**  cis-141.9155.318.8-65.3179000112
473N38.8Very low44.4Very low165 Ų165140.3 Ų140.388%0.88279%0.789SS**  trans-66157.7173.6-71.83.3000115.4
474G37.5Very low44.9Very low70 Ų70136.4 Ų136.472%0.72278%0.779SS**  trans179.3101.5160.200000115.9
475N37.1Very low45.5Very low168 Ų168140.4 Ų140.490%0.89879%0.785SS**  trans39.6105.8155.3-59.211.2000120.5
476S46.9Very low45.4Very low93 Ų93136.4 Ų136.465%0.6577%0.77SS**  -180122.4114.1-176.40000111.1E478S476-E478 PolarHBondContact O-N 3.49Å; S476-E478 VanDerWaalsContact O-N 3.15Å
477S47.6Very low45.7Very low121 Ų121138.1 Ų138.185%0.84677%0.769SS**THydrogen-bonded Turntrans-78.613.8-173.3420000115.2
478E47.7Very low46Very low160 Ų160137.1 Ų137.175%0.74877%0.774SS**THydrogen-bonded Turntrans-104.6-23.8-175.1-161170.1-173.500113.6S476 A480S476-E478 PolarHBondContact O-N 3.49Å; S476-E478 VanDerWaalsContact O-N 3.15Å; E478-A480 VanDerWaalsContact C-N 3.34Å; E478-A480 PolarHBondContact O-N 3.22Å
479A47.5Very low46Very low82 Ų82134.2 Ų134.268%0.67876%0.763SS**THydrogen-bonded Turntrans-74.1-18.3-17500000114.8
480A45.5Very low46.4Very low77 Ų77139.9 Ų139.964%0.63677%0.768SS**THydrogen-bonded Turntrans-82.3-19.9-170.200000114.9E478E478-A480 VanDerWaalsContact C-N 3.34Å; E478-A480 PolarHBondContact O-N 3.22Å
481I50.3Low46.7Very low141 Ų141140.5 Ų140.572%0.72377%0.77SS**THydrogen-bonded Turntrans-80-18.4-173.9-60.1178000112.3
482M53.6Low47.5Very low177 Ų177136.7 Ų136.787%0.87277%0.769SS**THydrogen-bonded Turntrans-88.2-3.8-177.4-76.3-90.9159.300114.6
483A48.1Very low48.6Very low85 Ų85140.3 Ų140.370%0.70277%0.773SS**SBendtrans-94.8-2.2-166.400000115.9
484T51.8Low50.3Low115 Ų115138.4 Ų138.471%0.70677%0.767SS**  trans-116.310.6-167.453.90000115.8D486T484-D486 VanDerWaalsContact C-N 3.27Å; T484-D486 PolarHBondContact O-N 2.92Å
485Q51.3Low52.2Low197 Ų197137.8 Ų137.892%0.92175%0.747SS**  trans-77.376.6174.1-74.2-161.1-2.900112.8
486D43.5Very low54.3Low106 Ų106133.2 Ų133.257%0.56773%0.726SS**  trans-71.9128.4174.7-158.245.3000111.9T484 S488T484-D486 VanDerWaalsContact C-N 3.27Å; T484-D486 PolarHBondContact O-N 2.92Å; D486-S488 PolarHBondContact O-N 3.06Å
487M48.5Very low55.7Low132 Ų132135 Ų13565%0.6572%0.724SS**  trans54.421.3149.3-56.1-59.3169.500122.2R489M487-R489 VanDerWaalsContact C-N 3.31Å; M487-R489 PolarHBondContact O-N 3.15Å
488S48.4Very low57.2Low129 Ų129135.1 Ų135.190%0.90272%0.72SS**  trans-77.976.1168.5-76.90000113.7D486D486-S488 PolarHBondContact O-N 3.06Å
489R44.9Very low58.7Low194 Ų194132 Ų13273%0.73271%0.708SS**  trans-54.7136.2173.8-81.9174.6-81.2-174.3-4.8113.7M487M487-R489 VanDerWaalsContact C-N 3.31Å; M487-R489 PolarHBondContact O-N 3.15Å
490R48.7Very low60.6Low225 Ų225130 Ų13085%0.84968%0.684SS**  trans69.770141.7-58.9167.6-176.9-163.40.6120
491K50.1Low62.9Low196 Ų196131 Ų13185%0.85268%0.679SS**  -156.2132.3128-147.179.6173.7-169.70109.7R493K491-R493 PolarHBondContact O-N 3.36Å
492G62.1Low64.9Low78 Ų78130.1 Ų130.180%0.80467%0.672SS**  trans-69.692.9172.800000109.8V494G492-V494 PolarHBondContact O-N 3.46Å
493R71.4Confident66.8Low235 Ų235124.3 Ų124.389%0.88765%0.652SS**PPolyproline II helixtrans-66.7123.9170.1-60-171.2-165.1-99.14.6107.3K491 L495K491-R493 PolarHBondContact O-N 3.36Å; R493-L495 PolarHBondContact O-N 3.35Å
494V74.7Confident69.1Low126 Ų126123.2 Ų123.276%0.76463%0.63SS**PPolyproline II helixtrans-62.3124.1172.1178.50000106.9G492G492-V494 PolarHBondContact O-N 3.46Å
495L77.4Confident71.1Confident57 Ų57122.8 Ų122.830%0.29862%0.615SS.*PPolyproline II helixtrans-62.6128.2177.8-169.766000108.4R493 L499 K500 Y504R493-L495 PolarHBondContact O-N 3.35Å; L495-L499 HydrophobicContact CD1-CB 3.91Å; L495-L499 HydrophobicContact CD1-CD1 4.09Å; L495-L499 HydrophobicContact CD2-CB 4.21Å; L495-L499 VanDerWaalsContact CD2-O 3.3Å; L495-L499 WeakPolarHBondContact CD2-O 3.37Å; L495-L499 HydrophobicContact CG-CB 3.89Å; L495-K500 HydrophobicContact CD2-CG 4.25Å; L495-K500 HydrophobicContact CG-CG 4.48Å; L495-K500 WeakPolarHBondContact O-CE 3.49Å; L495-Y504 HydrophobicContact CB-CE2 4.47Å; L495-Y504 HydrophobicContact CD2-CD2 3.44Å; L495-Y504 VanDerWaalsContact CD2-CD2 3.44Å; L495-Y504 HydrophobicContact CD2-CE2 3.68Å; L495-Y504 HydrophobicContact CD2-CG 4Å
496P79.9Confident73.3Confident72 Ų72116.5 Ų116.547%0.46859%0.586SS.*PPolyproline II helixtrans-52.7145.9174.8-27.135.4000111.5T498 L499P496-T498 PolarHBondContact O-N 3.1Å; P496-T498 VanDerWaalsContact O-N 3.16Å; P496-L499 HydrophobicContact CG-CD1 4.45Å; P496-L499 PolarHBondContact O-N 2.86Å
497E77.4Confident75.8Confident130 Ų130119.2 Ų119.261%0.60759%0.588SS**G310 helixtrans-57.2-34.7-176.9-155.364.9-14300112.2L499 K500E497-L499 PolarHBondContact O-N 3.48Å; E497-L499 VanDerWaalsContact O-N 3.11Å; E497-K500 PolarHBondContact O-N 2.84Å; E497-K500 VanDerWaalsContact O-N 3.12Å; E497-K500 WeakPolarHBondContact OE1-CD 3.47Å; E497-K500 IonicContact OE1-NZ 2.64Å; E497-K500 WeakPolarHBondContact OE2-CE 3.45Å; E497-K500 IonicContact OE2-NZ 3.18Å; E497-K500 PolarHBondContact OE2-NZ 3.08Å
498T77.7Confident78.1Confident124 Ų124117.6 Ų117.676%0.76158%0.575SS**G310 helixtrans-65.1-7.6177.454.10000115.2P496P496-T498 PolarHBondContact O-N 3.1Å; P496-T498 VanDerWaalsContact O-N 3.16Å
499L79.3Confident80.5Confident94 Ų94117.4 Ų117.449%0.49255%0.554SS.*G310 helixtrans-118.38.4177.2-61177.4000112.4L495 P496 E497 D501L495-L499 HydrophobicContact CD1-CB 3.91Å; L495-L499 HydrophobicContact CD1-CD1 4.09Å; L495-L499 HydrophobicContact CD2-CB 4.21Å; L495-L499 VanDerWaalsContact CD2-O 3.3Å; L495-L499 WeakPolarHBondContact CD2-O 3.37Å; L495-L499 HydrophobicContact CG-CB 3.89Å; P496-L499 HydrophobicContact CG-CD1 4.45Å; P496-L499 PolarHBondContact O-N 2.86Å; E497-L499 PolarHBondContact O-N 3.48Å; E497-L499 VanDerWaalsContact O-N 3.11Å; L499-D501 VanDerWaalsContact C-N 3.27Å; L499-D501 PolarHBondContact O-N 2.95Å
500K88.9Confident83Confident41 Ų41114.1 Ų114.118%0.17855%0.545CS..  trans-9060.1177.5-65.2-176.4-165.9165.40111.4L495 E497 Y504 W505L495-K500 HydrophobicContact CD2-CG 4.25Å; L495-K500 HydrophobicContact CG-CG 4.48Å; L495-K500 WeakPolarHBondContact O-CE 3.49Å; E497-K500 PolarHBondContact O-N 2.84Å; E497-K500 VanDerWaalsContact O-N 3.12Å; E497-K500 WeakPolarHBondContact OE1-CD 3.47Å; E497-K500 IonicContact OE1-NZ 2.64Å; E497-K500 WeakPolarHBondContact OE2-CE 3.45Å; E497-K500 IonicContact OE2-NZ 3.18Å; E497-K500 PolarHBondContact OE2-NZ 3.08Å; K500-Y504 HydrophobicContact CB-CD1 3.9Å; K500-Y504 HydrophobicContact CB-CE1 4.35Å; K500-Y504 HydrophobicContact CD-CD1 4.48Å; K500-Y504 HydrophobicContact CD-CE1 4.11Å; K500-Y504 HydrophobicContact CG-CD1 3.93Å; K500-Y504 HydrophobicContact CG-CE1 3.94Å; K500-W505 HydrophobicContact CB-CZ2 4.13Å; K500-W505 HydrophobicContact CD-CH2 4.26Å; K500-W505 HydrophobicContact CD-CZ2 3.77Å; K500-W505 VanDerWaalsContact O-CD1 3.29Å; K500-W505 PolarHBondContact O-NE1 2.83Å
501D92.3Very high85.4Confident98 Ų98108 Ų10852%0.52453%0.53SS..  trans-63.8167.5177.6-45.5-33.6000111.7L499 A503 Y504 W505L499-D501 VanDerWaalsContact C-N 3.27Å; L499-D501 PolarHBondContact O-N 2.95Å; D501-A503 PolarHBondContact O-N 3.48Å; D501-A503 VanDerWaalsContact O-N 3.13Å; D501-Y504 WeakPolarHBondContact O-CA 3.49Å; D501-Y504 VanDerWaalsContact O-CB 3.3Å; D501-Y504 WeakPolarHBondContact O-CB 3.45Å; D501-Y504 PolarHBondContact O-N 3.47Å; D501-W505 PolarHBondContact O-N 2.82Å
502E93.5Very high87.7Confident121 Ų121102.6 Ų102.657%0.56551%0.51SS*.Hα-helixtrans-55.9-34.6176.6-173.455.9-143.500112Y504 W505 E506 R509E502-Y504 VanDerWaalsContact C-N 3.27Å; E502-Y504 PolarHBondContact O-N 3.37Å; E502-W505 PolarHBondContact O-N 3.45Å; E502-W505 VanDerWaalsContact O-N 3.11Å; E502-E506 WeakPolarHBondContact O-CB 3.27Å; E502-E506 PolarHBondContact O-N 2.98Å; E502-R509 IonicContact OE1-CZ 2.73Å; E502-R509 IonicContact OE1-NH2 3.91Å; E502-R509 PolarHBondContact OE1-NH2 3.39Å
503A93Very high89.4Confident55 Ų55103.9 Ų103.946%0.45550%0.495SS..Hα-helixtrans-62.3-29.7174.100000113.5D501 R507D501-A503 PolarHBondContact O-N 3.48Å; D501-A503 VanDerWaalsContact O-N 3.13Å; A503-R507 WeakPolarHBondContact O-CG 3.28Å; A503-R507 PolarHBondContact O-N 2.93Å; A503-R507 PolarHBondContact O-NE 3.03Å
504Y95.7Very high90.7Very high62 Ų6295.1 Ų95.124%0.24347%0.473CS..Hα-helixtrans-70.9-46.1170.4170.4-92.9000111.1L495 K500 D501 E502 E506 R507 R508L495-Y504 HydrophobicContact CB-CE2 4.47Å; L495-Y504 HydrophobicContact CD2-CD2 3.44Å; L495-Y504 VanDerWaalsContact CD2-CD2 3.44Å; L495-Y504 HydrophobicContact CD2-CE2 3.68Å; L495-Y504 HydrophobicContact CD2-CG 4Å; K500-Y504 HydrophobicContact CB-CD1 3.9Å; K500-Y504 HydrophobicContact CB-CE1 4.35Å; K500-Y504 HydrophobicContact CD-CD1 4.48Å; K500-Y504 HydrophobicContact CD-CE1 4.11Å; K500-Y504 HydrophobicContact CG-CD1 3.93Å; K500-Y504 HydrophobicContact CG-CE1 3.94Å; D501-Y504 WeakPolarHBondContact O-CA 3.49Å; D501-Y504 VanDerWaalsContact O-CB 3.3Å; D501-Y504 WeakPolarHBondContact O-CB 3.45Å; D501-Y504 PolarHBondContact O-N 3.47Å; E502-Y504 VanDerWaalsContact C-N 3.27Å; E502-Y504 PolarHBondContact O-N 3.37Å; Y504-E506 PolarHBondContact O-N 2.94Å; Y504-R507 PolarHBondContact O-N 2.87Å; Y504-R508 WeakPolarHBondContact O-CB 3.28Å; Y504-R508 PolarHBondContact O-N 3.04Å
505W94.7Very high91.8Very high106 Ų10690.9 Ų90.940%0.40245%0.451SS..Hα-helixtrans-64.2-40.3179.7-68113.8000112.8K500 D501 E502 R508 R509K500-W505 HydrophobicContact CB-CZ2 4.13Å; K500-W505 HydrophobicContact CD-CH2 4.26Å; K500-W505 HydrophobicContact CD-CZ2 3.77Å; K500-W505 VanDerWaalsContact O-CD1 3.29Å; K500-W505 PolarHBondContact O-NE1 2.83Å; D501-W505 PolarHBondContact O-N 2.82Å; E502-W505 PolarHBondContact O-N 3.45Å; E502-W505 VanDerWaalsContact O-N 3.11Å; W505-R508 WeakPolarHBondContact O-CB 3.37Å; W505-R508 PolarHBondContact O-N 2.96Å; W505-R509 WeakPolarHBondContact O-CB 3.49Å; W505-R509 PolarHBondContact O-N 3.11Å
506E96.7Very high92.8Very high65 Ų6594.6 Ų94.630%0.30447%0.465SS..Hα-helixtrans-59.3-49.1173.3-17259.3-113.200111.7E502 Y504 R508 R509 K510E502-E506 WeakPolarHBondContact O-CB 3.27Å; E502-E506 PolarHBondContact O-N 2.98Å; Y504-E506 PolarHBondContact O-N 2.94Å; E506-R508 VanDerWaalsContact C-N 3.3Å; E506-R508 PolarHBondContact O-N 3.12Å; E506-R509 PolarHBondContact O-N 3.04Å; E506-R509 IonicContact OE1-NH1 3.99Å; E506-R509 PolarHBondContact OE1-NH1 2.94Å; E506-R509 IonicContact OE2-CZ 2.64Å; E506-R509 IonicContact OE2-NH1 3.62Å; E506-R509 PolarHBondContact OE2-NH1 3.23Å; E506-K510 HydrophobicContact CG-CD 4.26Å; E506-K510 WeakPolarHBondContact O-CG 3.38Å; E506-K510 PolarHBondContact O-N 3.26Å; E506-K510 WeakPolarHBondContact OE1-CE 3.46Å; E506-K510 IonicContact OE1-NZ 3.86Å
507R96.2Very high93.7Very high164 Ų16498.2 Ų98.262%0.61947%0.469SS*.Hα-helixtrans-59.6-40.8174.6-75-176.9-65.7-119.40.5111.8A503 Y504 N511A503-R507 WeakPolarHBondContact O-CG 3.28Å; A503-R507 PolarHBondContact O-N 2.93Å; A503-R507 PolarHBondContact O-NE 3.03Å; Y504-R507 PolarHBondContact O-N 2.87Å; R507-N511 WeakPolarHBondContact O-CB 3.37Å; R507-N511 PolarHBondContact O-N 3.2Å
508R97.5Very high94.7Very high97 Ų9795.2 Ų95.237%0.36646%0.463SS..Hα-helixtrans-65.5-39.7178.3-169.972.9-165.181.86.6111.7Y504 W505 E506 N512Y504-R508 WeakPolarHBondContact O-CB 3.28Å; Y504-R508 PolarHBondContact O-N 3.04Å; W505-R508 WeakPolarHBondContact O-CB 3.37Å; W505-R508 PolarHBondContact O-N 2.96Å; E506-R508 VanDerWaalsContact C-N 3.3Å; E506-R508 PolarHBondContact O-N 3.12Å; R508-N512 PolarHBondContact NH1-ND2 3.48Å; R508-N512 PolarHBondContact NH1-OD1 2.86Å; R508-N512 PolarHBondContact NH2-OD1 3.42Å; R508-N512 VanDerWaalsContact NH2-OD1 3.17Å; R508-N512 PolarHBondContact O-N 3.39Å; R508-N512 VanDerWaalsContact O-N 3.07Å; R508-N512 PolarHBondContact O-ND2 2.76Å
509R98Very high95.7Very high125 Ų12597.4 Ų97.447%0.47246%0.457SS..Hα-helixtrans-65-53176.7-157.2-176.5-55.6120-1.1110.9E502 W505 E506 N511 N512 E513E502-R509 IonicContact OE1-CZ 2.73Å; E502-R509 IonicContact OE1-NH2 3.91Å; E502-R509 PolarHBondContact OE1-NH2 3.39Å; W505-R509 WeakPolarHBondContact O-CB 3.49Å; W505-R509 PolarHBondContact O-N 3.11Å; E506-R509 PolarHBondContact O-N 3.04Å; E506-R509 IonicContact OE1-NH1 3.99Å; E506-R509 PolarHBondContact OE1-NH1 2.94Å; E506-R509 IonicContact OE2-CZ 2.64Å; E506-R509 IonicContact OE2-NH1 3.62Å; E506-R509 PolarHBondContact OE2-NH1 3.23Å; R509-N511 VanDerWaalsContact C-N 3.35Å; R509-N511 PolarHBondContact O-N 2.92Å; R509-N512 WeakPolarHBondContact O-CB 3.41Å; R509-N512 PolarHBondContact O-N 3.41Å; R509-N512 VanDerWaalsContact O-N 3.16Å; R509-E513 PolarHBondContact O-N 2.96Å
510K98.1Very high96.6Very high125 Ų12596.6 Ų96.654%0.54345%0.454SS..Hα-helixtrans-58-41.5175.9-72.3175.6176.11700112.8E506 E513 A514E506-K510 HydrophobicContact CG-CD 4.26Å; E506-K510 WeakPolarHBondContact O-CG 3.38Å; E506-K510 PolarHBondContact O-N 3.26Å; E506-K510 WeakPolarHBondContact OE1-CE 3.46Å; E506-K510 IonicContact OE1-NZ 3.86Å; K510-E513 PolarHBondContact O-N 3.06Å; K510-A514 WeakPolarHBondContact O-CB 3.45Å; K510-A514 PolarHBondContact O-N 3.1Å
511N98.5Very high97.1Very high97 Ų9797.7 Ų97.752%0.51947%0.47SS..Hα-helixtrans-66.9-39.5176.1177.9-100.4000112.9R507 R509 A514 A515R507-N511 WeakPolarHBondContact O-CB 3.37Å; R507-N511 PolarHBondContact O-N 3.2Å; R509-N511 VanDerWaalsContact C-N 3.35Å; R509-N511 PolarHBondContact O-N 2.92Å; N511-A514 PolarHBondContact O-N 2.97Å; N511-A515 VanDerWaalsContact O-CB 3.22Å; N511-A515 WeakPolarHBondContact O-CB 3.47Å; N511-A515 PolarHBondContact O-N 2.75Å
512N98.4Very high97.4Very high83 Ų83100.4 Ų100.444%0.44447%0.473SS..Hα-helixtrans-62.6-42.1173.8-81.7-25.7000111.8R508 R509 A515 K516R508-N512 PolarHBondContact NH1-ND2 3.48Å; R508-N512 PolarHBondContact NH1-OD1 2.86Å; R508-N512 PolarHBondContact NH2-OD1 3.42Å; R508-N512 VanDerWaalsContact NH2-OD1 3.17Å; R508-N512 PolarHBondContact O-N 3.39Å; R508-N512 VanDerWaalsContact O-N 3.07Å; R508-N512 PolarHBondContact O-ND2 2.76Å; R509-N512 WeakPolarHBondContact O-CB 3.41Å; R509-N512 PolarHBondContact O-N 3.41Å; R509-N512 VanDerWaalsContact O-N 3.16Å; N512-A515 PolarHBondContact O-N 3.45Å; N512-K516 WeakPolarHBondContact O-CB 3.41Å; N512-K516 PolarHBondContact O-N 3.46Å
513E98.3Very high97.6Very high104 Ų104102.1 Ų102.149%0.48647%0.474SS..Hα-helixtrans-64.6-46.6176.5-165.2-155.9131.500111.8R509 K510 A515 K516 R517R509-E513 PolarHBondContact O-N 2.96Å; K510-E513 PolarHBondContact O-N 3.06Å; E513-A515 VanDerWaalsContact C-N 3.35Å; E513-A515 PolarHBondContact O-N 3.46Å; E513-K516 WeakPolarHBondContact O-CB 3.43Å; E513-K516 PolarHBondContact O-N 3.2Å; E513-R517 WeakPolarHBondContact O-CB 3.38Å; E513-R517 PolarHBondContact O-N 3.02Å; E513-R517 IonicContact OE1-CZ 3.88Å; E513-R517 IonicContact OE1-NH1 2.96Å; E513-R517 PolarHBondContact OE1-NH1 2.78Å; E513-R517 IonicContact OE1-NH2 3.96Å; E513-R517 PolarHBondContact OE1-NH2 3.46Å
514A98.2Very high97.8Very high52 Ų52102.3 Ų102.343%0.4348%0.476SS..Hα-helixtrans-61.7-40.5175.600000112.3K510 N511 R517 S518K510-A514 WeakPolarHBondContact O-CB 3.45Å; K510-A514 PolarHBondContact O-N 3.1Å; N511-A514 PolarHBondContact O-N 2.97Å; A514-R517 PolarHBondContact O-N 3.41Å; A514-S518 VanDerWaalsContact O-CB 3.26Å; A514-S518 WeakPolarHBondContact O-CB 3.39Å; A514-S518 PolarHBondContact O-N 2.9Å
515A98.4Very high97.9Very high37 Ų37105.9 Ų105.931%0.30649%0.493SS..Hα-helixtrans-66.7-35.7175.400000112.3N511 N512 E513 R519N511-A515 VanDerWaalsContact O-CB 3.22Å; N511-A515 WeakPolarHBondContact O-CB 3.47Å; N511-A515 PolarHBondContact O-N 2.75Å; N512-A515 PolarHBondContact O-N 3.45Å; E513-A515 VanDerWaalsContact C-N 3.35Å; E513-A515 PolarHBondContact O-N 3.46Å; A515-R519 VanDerWaalsContact O-CG 3.27Å; A515-R519 WeakPolarHBondContact O-CG 3.16Å; A515-R519 PolarHBondContact O-N 3.26Å; A515-R519 VanDerWaalsContact O-N 3.11Å
516K98.5Very high98.1Very high135 Ų135105.9 Ų105.959%0.58750%0.497SS*.Hα-helixtrans-64.2-55.6170.9-171.9-169.6171.8-170.20110.3N512 E513 S518 R519 D520N512-K516 WeakPolarHBondContact O-CB 3.41Å; N512-K516 PolarHBondContact O-N 3.46Å; E513-K516 WeakPolarHBondContact O-CB 3.43Å; E513-K516 PolarHBondContact O-N 3.2Å; K516-S518 PolarHBondContact O-N 3.1Å; K516-R519 WeakPolarHBondContact O-CB 3.25Å; K516-R519 PolarHBondContact O-N 2.96Å; K516-D520 WeakPolarHBondContact CE-OD2 3.48Å; K516-D520 WeakPolarHBondContact CG-OD2 3.26Å; K516-D520 VanDerWaalsContact O-CG 3.28Å; K516-D520 PolarHBondContact O-N 3.45Å
517R98.2Very high98.2Very high147 Ų147107.8 Ų107.856%0.55551%0.509SS*.Hα-helixtrans-54.6-39178.2-174-179.1-76.6102.8-2.3112.4E513 A514 A521E513-R517 WeakPolarHBondContact O-CB 3.38Å; E513-R517 PolarHBondContact O-N 3.02Å; E513-R517 IonicContact OE1-CZ 3.88Å; E513-R517 IonicContact OE1-NH1 2.96Å; E513-R517 PolarHBondContact OE1-NH1 2.78Å; E513-R517 IonicContact OE1-NH2 3.96Å; E513-R517 PolarHBondContact OE1-NH2 3.46Å; A514-R517 PolarHBondContact O-N 3.41Å; R517-A521 VanDerWaalsContact O-CB 3.25Å; R517-A521 WeakPolarHBondContact O-CB 3.49Å; R517-A521 PolarHBondContact O-N 3.34Å
518S98.7Very high98.3Very high68 Ų68105 Ų10548%0.47650%0.503SS..Hα-helixtrans-67.7-37.9175.9179.10000113.4A514 K516 R522A514-S518 VanDerWaalsContact O-CB 3.26Å; A514-S518 WeakPolarHBondContact O-CB 3.39Å; A514-S518 PolarHBondContact O-N 2.9Å; K516-S518 PolarHBondContact O-N 3.1Å; S518-R522 WeakPolarHBondContact O-CB 3.48Å; S518-R522 PolarHBondContact O-N 3.46Å; S518-R522 VanDerWaalsContact O-N 3.13Å
519R98.7Very high98.3Very high170 Ų170105 Ų10564%0.64251%0.509SS*.Hα-helixtrans-68.6-43.6173.5-73.9167.9176177.5-1.1111.5A515 K516 R522 R523A515-R519 VanDerWaalsContact O-CG 3.27Å; A515-R519 WeakPolarHBondContact O-CG 3.16Å; A515-R519 PolarHBondContact O-N 3.26Å; A515-R519 VanDerWaalsContact O-N 3.11Å; K516-R519 WeakPolarHBondContact O-CB 3.25Å; K516-R519 PolarHBondContact O-N 2.96Å; R519-R522 PolarHBondContact O-N 2.8Å; R519-R523 WeakPolarHBondContact O-CG 3.41Å; R519-R523 PolarHBondContact O-N 3.12Å
520D98.5Very high98.3Very high77 Ų77101.8 Ų101.841%0.41251%0.51SS..Hα-helixtrans-66.2-42.4-179.2-61.8-12.9000110.5K516 R522 R523 A524K516-D520 WeakPolarHBondContact CE-OD2 3.48Å; K516-D520 WeakPolarHBondContact CG-OD2 3.26Å; K516-D520 VanDerWaalsContact O-CG 3.28Å; K516-D520 PolarHBondContact O-N 3.45Å; D520-R522 VanDerWaalsContact C-N 3.34Å; D520-R522 PolarHBondContact O-N 2.94Å; D520-R523 PolarHBondContact O-N 3.36Å; D520-A524 WeakPolarHBondContact O-CB 3.41Å; D520-A524 PolarHBondContact O-N 3.23Å
521A98.5Very high98.3Very high64 Ų64100.3 Ų100.353%0.52951%0.511SS..Hα-helixtrans-64-34.7173.700000113.3R517 K525R517-A521 VanDerWaalsContact O-CB 3.25Å; R517-A521 WeakPolarHBondContact O-CB 3.49Å; R517-A521 PolarHBondContact O-N 3.34Å; A521-K525 PolarHBondContact O-N 3.13Å
522R98.5Very high98.3Very high154 Ų154102.7 Ų102.758%0.58151%0.513SS*.Hα-helixtrans-67.8-47.7173.9-169-169.2-58.6-176.8-2111.3S518 R519 D520 A524 K525 E526S518-R522 WeakPolarHBondContact O-CB 3.48Å; S518-R522 PolarHBondContact O-N 3.46Å; S518-R522 VanDerWaalsContact O-N 3.13Å; R519-R522 PolarHBondContact O-N 2.8Å; D520-R522 VanDerWaalsContact C-N 3.34Å; D520-R522 PolarHBondContact O-N 2.94Å; R522-A524 PolarHBondContact O-N 3.22Å; R522-K525 WeakPolarHBondContact O-CB 3.31Å; R522-K525 PolarHBondContact O-N 2.92Å; R522-K525 VanDerWaalsContact O-N 3.13Å; R522-E526 WeakPolarHBondContact CD-OE1 3.3Å; R522-E526 HydrophobicContact CG-CG 4.46Å; R522-E526 VanDerWaalsContact CG-OE1 3.28Å; R522-E526 WeakPolarHBondContact CG-OE1 3.5Å; R522-E526 WeakPolarHBondContact O-CG 3.33Å; R522-E526 PolarHBondContact O-N 3.44Å
523R98Very high98.3Very high158 Ų158100.6 Ų100.660%0.59651%0.507SS*.Hα-helixtrans-57.3-48.2176.7-73.1170.4179.4-91.4-0.3111.3R519 D520 K525 E526 D527R519-R523 WeakPolarHBondContact O-CG 3.41Å; R519-R523 PolarHBondContact O-N 3.12Å; D520-R523 PolarHBondContact O-N 3.36Å; R523-K525 PolarHBondContact O-N 3.47Å; R523-E526 CarbonylContact O-C 3.57Å; R523-E526 WeakPolarHBondContact O-CA 3.34Å; R523-E526 WeakPolarHBondContact O-CB 3.28Å; R523-E526 PolarHBondContact O-N 3.34Å; R523-D527 WeakPolarHBondContact O-CB 3.49Å; R523-D527 VanDerWaalsContact O-CG 3.23Å; R523-D527 PolarHBondContact O-N 3.03Å
524A98Very high98.3Very high59 Ų5998.2 Ų98.249%0.48851%0.505SS..Hα-helixtrans-58-35.6177.200000113D520 R522 E528D520-A524 WeakPolarHBondContact O-CB 3.41Å; D520-A524 PolarHBondContact O-N 3.23Å; R522-A524 PolarHBondContact O-N 3.22Å; A524-E528 PolarHBondContact O-N 2.95Å
525K97.9Very high98.3Very high137 Ų137100.7 Ų100.760%0.59651%0.51SS*.Hα-helixtrans-72.3-39.7173.6-174.3177.5-179.81790112.6A521 R522 R523 D527 E528 I529A521-K525 PolarHBondContact O-N 3.13Å; R522-K525 WeakPolarHBondContact O-CB 3.31Å; R522-K525 PolarHBondContact O-N 2.92Å; R522-K525 VanDerWaalsContact O-N 3.13Å; R523-K525 PolarHBondContact O-N 3.47Å; K525-D527 VanDerWaalsContact C-N 3.32Å; K525-E528 PolarHBondContact O-N 3.33Å; K525-I529 HydrophobicContact CG-CD1 4.06Å; K525-I529 WeakPolarHBondContact O-CB 3.32Å; K525-I529 WeakPolarHBondContact O-CD1 3.12Å; K525-I529 VanDerWaalsContact O-CG1 3.23Å; K525-I529 WeakPolarHBondContact O-CG1 3.47Å; K525-I529 PolarHBondContact O-N 3.18Å
526E98.1Very high98.3Very high106 Ų106103.8 Ų103.850%0.49552%0.521SS..Hα-helixtrans-61.5-42.3173.7-70.1162178.600110.5R522 R523 I529 A530R522-E526 WeakPolarHBondContact CD-OE1 3.3Å; R522-E526 HydrophobicContact CG-CG 4.46Å; R522-E526 VanDerWaalsContact CG-OE1 3.28Å; R522-E526 WeakPolarHBondContact CG-OE1 3.5Å; R522-E526 WeakPolarHBondContact O-CG 3.33Å; R522-E526 PolarHBondContact O-N 3.44Å; R523-E526 CarbonylContact O-C 3.57Å; R523-E526 WeakPolarHBondContact O-CA 3.34Å; R523-E526 WeakPolarHBondContact O-CB 3.28Å; R523-E526 PolarHBondContact O-N 3.34Å; E526-I529 PolarHBondContact O-N 2.8Å; E526-A530 WeakPolarHBondContact O-CB 3.45Å; E526-A530 PolarHBondContact O-N 3.44Å
527D98.1Very high98.3Very high104 Ų104103.9 Ų103.956%0.55652%0.524SS*.Hα-helixtrans-65.9-43.2175.4-63.9-32.2000112R523 K525 I529 A530 V531R523-D527 WeakPolarHBondContact O-CB 3.49Å; R523-D527 VanDerWaalsContact O-CG 3.23Å; R523-D527 PolarHBondContact O-N 3.03Å; K525-D527 VanDerWaalsContact C-N 3.32Å; D527-I529 VanDerWaalsContact C-N 3.34Å; D527-I529 PolarHBondContact O-N 2.92Å; D527-A530 PolarHBondContact O-N 2.9Å; D527-V531 WeakPolarHBondContact O-CG2 3.49Å; D527-V531 PolarHBondContact O-N 3.2Å
528E98.4Very high98.3Very high105 Ų105103.4 Ų103.449%0.49153%0.528SS..Hα-helixtrans-59.8-43.9174.3-167.6-155.3145.200111.3A524 K525 V531 R532A524-E528 PolarHBondContact O-N 2.95Å; K525-E528 PolarHBondContact O-N 3.33Å; E528-V531 PolarHBondContact O-N 3.4Å; E528-R532 VanDerWaalsContact O-CB 3.3Å; E528-R532 WeakPolarHBondContact O-CB 3.23Å; E528-R532 PolarHBondContact O-N 3.27Å; E528-R532 IonicContact OE1-CZ 2.72Å; E528-R532 IonicContact OE1-NE 3.31Å; E528-R532 IonicContact OE1-NH2 3.1Å; E528-R532 PolarHBondContact OE1-NH2 3.13Å; E528-R532 VanDerWaalsContact OE1-NH2 3.1Å
529I98Very high98.2Very high97 Ų97105 Ų10550%0.49753%0.528SS..Hα-helixtrans-63.7-42.4177.3-69.7165.4000110.5K525 E526 D527 R532 A533K525-I529 HydrophobicContact CG-CD1 4.06Å; K525-I529 WeakPolarHBondContact O-CB 3.32Å; K525-I529 WeakPolarHBondContact O-CD1 3.12Å; K525-I529 VanDerWaalsContact O-CG1 3.23Å; K525-I529 WeakPolarHBondContact O-CG1 3.47Å; K525-I529 PolarHBondContact O-N 3.18Å; E526-I529 PolarHBondContact O-N 2.8Å; D527-I529 VanDerWaalsContact C-N 3.34Å; D527-I529 PolarHBondContact O-N 2.92Å; I529-R532 PolarHBondContact O-N 3.11Å; I529-A533 VanDerWaalsContact O-CB 3.32Å; I529-A533 WeakPolarHBondContact O-CB 3.44Å; I529-A533 PolarHBondContact O-N 3.42Å
530A98.1Very high98.2Very high58 Ų58100.3 Ų100.348%0.47952%0.515SS..Hα-helixtrans-63.3-44.5177.900000112.4E526 D527 A533 A534E526-A530 WeakPolarHBondContact O-CB 3.45Å; E526-A530 PolarHBondContact O-N 3.44Å; D527-A530 PolarHBondContact O-N 2.9Å; A530-A533 PolarHBondContact O-N 3.19Å; A530-A534 PolarHBondContact O-N 2.86Å
531V98.2Very high98.2Very high94 Ų94102.3 Ų102.357%0.5752%0.524SS*.Hα-helixtrans-63.8-44.7175.5172.50000111.1D527 E528 A533 A534 L535D527-V531 WeakPolarHBondContact O-CG2 3.49Å; D527-V531 PolarHBondContact O-N 3.2Å; E528-V531 PolarHBondContact O-N 3.4Å; V531-A533 PolarHBondContact O-N 2.88Å; V531-A534 PolarHBondContact O-N 2.98Å; V531-L535 HydrophobicContact CG1-CD1 4.18Å; V531-L535 WeakPolarHBondContact O-CG 3.38Å; V531-L535 PolarHBondContact O-N 3.15Å; V531-L535 VanDerWaalsContact O-N 3.1Å
532R98.3Very high98.2Very high148 Ų148105.4 Ų105.456%0.55852%0.522SS*.Hα-helixtrans-62-42.2177.4-175.6-177-66.1-97.93.1111.9E528 I529 L535 L536E528-R532 VanDerWaalsContact O-CB 3.3Å; E528-R532 WeakPolarHBondContact O-CB 3.23Å; E528-R532 PolarHBondContact O-N 3.27Å; E528-R532 IonicContact OE1-CZ 2.72Å; E528-R532 IonicContact OE1-NE 3.31Å; E528-R532 IonicContact OE1-NH2 3.1Å; E528-R532 PolarHBondContact OE1-NH2 3.13Å; E528-R532 VanDerWaalsContact OE1-NH2 3.1Å; I529-R532 PolarHBondContact O-N 3.11Å; R532-L535 PolarHBondContact O-N 3Å; R532-L536 HydrophobicContact CG-CD1 4.09Å; R532-L536 VanDerWaalsContact O-CG 3.31Å; R532-L536 WeakPolarHBondContact O-CG 3.39Å; R532-L536 PolarHBondContact O-N 2.73Å
533A98.4Very high98.2Very high39 Ų39101.3 Ų101.332%0.32251%0.511SS..Hα-helixtrans-61.9-48.7177.200000111.5I529 A530 V531 L535 L536 E537I529-A533 VanDerWaalsContact O-CB 3.32Å; I529-A533 WeakPolarHBondContact O-CB 3.44Å; I529-A533 PolarHBondContact O-N 3.42Å; A530-A533 PolarHBondContact O-N 3.19Å; V531-A533 PolarHBondContact O-N 2.88Å; A533-L535 VanDerWaalsContact C-N 3.32Å; A533-L535 PolarHBondContact O-N 3.41Å; A533-L536 PolarHBondContact O-N 2.72Å; A533-L536 VanDerWaalsContact O-N 3.15Å; A533-E537 WeakPolarHBondContact O-CG 3.44Å; A533-E537 PolarHBondContact O-N 3.39Å
534A98.1Very high98.2Very high53 Ų53102.2 Ų102.244%0.43852%0.515SS..Hα-helixtrans-60-39.3178.700000113A530 V531 E537 Q538A530-A534 PolarHBondContact O-N 2.86Å; V531-A534 PolarHBondContact O-N 2.98Å; A534-E537 PolarHBondContact O-N 3Å; A534-Q538 WeakPolarHBondContact O-CB 3.48Å; A534-Q538 PolarHBondContact O-N 3.21Å
535L98.4Very high98.2Very high104 Ų104104.9 Ų104.955%0.54552%0.519SS..Hα-helixtrans-65.3-43.2174.8-70.6172.1000112.1V531 R532 A533 Q538 E539V531-L535 HydrophobicContact CG1-CD1 4.18Å; V531-L535 WeakPolarHBondContact O-CG 3.38Å; V531-L535 PolarHBondContact O-N 3.15Å; V531-L535 VanDerWaalsContact O-N 3.1Å; R532-L535 PolarHBondContact O-N 3Å; A533-L535 VanDerWaalsContact C-N 3.32Å; A533-L535 PolarHBondContact O-N 3.41Å; L535-Q538 PolarHBondContact O-N 3.47Å; L535-E539 WeakPolarHBondContact O-CB 3.49Å; L535-E539 PolarHBondContact O-N 3.46Å
536L98.3Very high98.2Very high102 Ų102102.6 Ų102.653%0.53451%0.511SS..Hα-helixtrans-66.2-36.8176.9-71.2170.3000112R532 A533 N540R532-L536 HydrophobicContact CG-CD1 4.09Å; R532-L536 VanDerWaalsContact O-CG 3.31Å; R532-L536 WeakPolarHBondContact O-CG 3.39Å; R532-L536 PolarHBondContact O-N 2.73Å; A533-L536 PolarHBondContact O-N 2.72Å; A533-L536 VanDerWaalsContact O-N 3.15Å; L536-N540 WeakPolarHBondContact O-CB 3.25Å; L536-N540 PolarHBondContact O-N 2.85Å
537E98.2Very high98.3Very high137 Ų137100.9 Ų100.964%0.6451%0.508SS*.Hα-helixtrans-63.7-44.4173.7-74172.2-177.800111.6A533 A534 N540 M541A533-E537 WeakPolarHBondContact O-CG 3.44Å; A533-E537 PolarHBondContact O-N 3.39Å; A534-E537 PolarHBondContact O-N 3Å; E537-N540 PolarHBondContact O-N 3.47Å; E537-M541 WeakPolarHBondContact O-CB 3.45Å; E537-M541 PolarHBondContact O-N 2.9Å
538Q98.2Very high98.3Very high138 Ų13898.7 Ų98.765%0.64550%0.504SS*.Hα-helixtrans-62.1-46.8175.3-176.1-176.74.200111.8A534 L535 M541 R542A534-Q538 WeakPolarHBondContact O-CB 3.48Å; A534-Q538 PolarHBondContact O-N 3.21Å; L535-Q538 PolarHBondContact O-N 3.47Å; Q538-M541 PolarHBondContact O-N 2.92Å; Q538-R542 PolarHBondContact O-N 2.78Å
539E98.3Very high98.2Very high101 Ų10196.5 Ų96.547%0.47250%0.504SS..Hα-helixtrans-64.9-43178.2-177.7171.6-158.200111.7L535 M541 R542 L543L535-E539 WeakPolarHBondContact O-CB 3.49Å; L535-E539 PolarHBondContact O-N 3.46Å; E539-M541 VanDerWaalsContact C-N 3.31Å; E539-M541 PolarHBondContact O-N 3.45Å; E539-R542 WeakPolarHBondContact O-CB 3.49Å; E539-R542 PolarHBondContact O-N 2.93Å; E539-L543 HydrophobicContact CG-CD1 3.99Å; E539-L543 HydrophobicContact CG-CG 4.43Å; E539-L543 WeakPolarHBondContact O-CB 3.22Å; E539-L543 WeakPolarHBondContact O-CG 3.28Å; E539-L543 PolarHBondContact O-N 2.86Å
540N98.2Very high98.3Very high71 Ų7196.2 Ų96.238%0.3850%0.503SS..Hα-helixtrans-62.3-39177-162.7-91.7000111.6L536 E537 L543 R544L536-N540 WeakPolarHBondContact O-CB 3.25Å; L536-N540 PolarHBondContact O-N 2.85Å; E537-N540 PolarHBondContact O-N 3.47Å; N540-L543 PolarHBondContact O-N 2.96Å; N540-R544 WeakPolarHBondContact O-CB 3.34Å; N540-R544 VanDerWaalsContact O-CG 3.27Å; N540-R544 WeakPolarHBondContact O-CG 3.47Å; N540-R544 PolarHBondContact O-N 3.07Å; N540-R544 PolarHBondContact OD1-NE 2.97Å; N540-R544 PolarHBondContact OD1-NH2 2.92Å
541M98.1Very high98.3Very high119 Ų119100.2 Ų100.259%0.58651%0.509SS*.Hα-helixtrans-63.5-45.8173.4-171.3-179.2-61.800111.9E537 Q538 E539 L543 R544 I545E537-M541 WeakPolarHBondContact O-CB 3.45Å; E537-M541 PolarHBondContact O-N 2.9Å; Q538-M541 PolarHBondContact O-N 2.92Å; E539-M541 VanDerWaalsContact C-N 3.31Å; E539-M541 PolarHBondContact O-N 3.45Å; M541-L543 PolarHBondContact O-N 3.16Å; M541-R544 PolarHBondContact O-N 3.38Å; M541-I545 HydrophobicContact CG-CD1 4.32Å; M541-I545 WeakPolarHBondContact O-CG1 3.47Å; M541-I545 PolarHBondContact O-N 3.24Å; M541-I545 VanDerWaalsContact O-N 3.1Å
542R98.4Very high98.2Very high129 Ų12998.8 Ų98.849%0.48751%0.507SS..Hα-helixtrans-57.3-48175.8-168.7-164.27069.62.8111.4Q538 E539 I545 E546Q538-R542 PolarHBondContact O-N 2.78Å; E539-R542 WeakPolarHBondContact O-CB 3.49Å; E539-R542 PolarHBondContact O-N 2.93Å; R542-I545 PolarHBondContact O-N 2.83Å; R542-E546 IonicContact CZ-OE2 3.49Å; R542-E546 IonicContact NH1-OE2 2.67Å; R542-E546 PolarHBondContact NH1-OE2 3.31Å; R542-E546 IonicContact NH2-OE2 3.5Å; R542-E546 PolarHBondContact O-N 2.74Å
543L98.5Very high98.2Very high68 Ų6897.1 Ų97.136%0.35651%0.506SS..Hα-helixtrans-64.3-38.7178.4-72.3169.2000112.4E539 N540 M541 I545 E546 V547E539-L543 HydrophobicContact CG-CD1 3.99Å; E539-L543 HydrophobicContact CG-CG 4.43Å; E539-L543 WeakPolarHBondContact O-CB 3.22Å; E539-L543 WeakPolarHBondContact O-CG 3.28Å; E539-L543 PolarHBondContact O-N 2.86Å; N540-L543 PolarHBondContact O-N 2.96Å; M541-L543 PolarHBondContact O-N 3.16Å; L543-I545 VanDerWaalsContact C-N 3.33Å; L543-I545 PolarHBondContact O-N 3.44Å; L543-E546 PolarHBondContact O-N 3.43Å; L543-V547 WeakPolarHBondContact O-CB 3.48Å; L543-V547 VanDerWaalsContact O-CG2 3.28Å; L543-V547 WeakPolarHBondContact O-CG2 3.48Å; L543-V547 PolarHBondContact O-N 2.64Å
544R98.3Very high98.2Very high178 Ų17897.9 Ų97.967%0.67251%0.507SS*.Hα-helixtrans-61.8-40174.7-77.1173.5-175.31805.4112.2N540 M541 A548N540-R544 WeakPolarHBondContact O-CB 3.34Å; N540-R544 VanDerWaalsContact O-CG 3.27Å; N540-R544 WeakPolarHBondContact O-CG 3.47Å; N540-R544 PolarHBondContact O-N 3.07Å; N540-R544 PolarHBondContact OD1-NE 2.97Å; N540-R544 PolarHBondContact OD1-NH2 2.92Å; M541-R544 PolarHBondContact O-N 3.38Å; R544-A548 VanDerWaalsContact O-CB 3.29Å; R544-A548 WeakPolarHBondContact O-CB 3.26Å; R544-A548 PolarHBondContact O-N 2.84Å
545I98.3Very high98.1Very high115 Ų11599.5 Ų99.559%0.5951%0.505SS*.Hα-helixtrans-65.8-47.1176.2-65.8164.5000110.4M541 R542 L543 A548 A549M541-I545 HydrophobicContact CG-CD1 4.32Å; M541-I545 WeakPolarHBondContact O-CG1 3.47Å; M541-I545 PolarHBondContact O-N 3.24Å; M541-I545 VanDerWaalsContact O-N 3.1Å; R542-I545 PolarHBondContact O-N 2.83Å; L543-I545 VanDerWaalsContact C-N 3.33Å; L543-I545 PolarHBondContact O-N 3.44Å; I545-A548 PolarHBondContact O-N 3.37Å; I545-A549 PolarHBondContact O-N 3.17Å
546E98.3Very high98Very high88 Ų88101 Ų10141%0.41151%0.507SS..Hα-helixtrans-60.5-47.1178.2-174.8172.9-170.500112R542 L543 A548 A549 L550R542-E546 IonicContact CZ-OE2 3.49Å; R542-E546 IonicContact NH1-OE2 2.67Å; R542-E546 PolarHBondContact NH1-OE2 3.31Å; R542-E546 IonicContact NH2-OE2 3.5Å; R542-E546 PolarHBondContact O-N 2.74Å; L543-E546 PolarHBondContact O-N 3.43Å; E546-A548 VanDerWaalsContact C-N 3.33Å; E546-A548 PolarHBondContact O-N 3.21Å; E546-A549 PolarHBondContact O-N 3.19Å; E546-L550 HydrophobicContact CG-CD1 4.23Å; E546-L550 WeakPolarHBondContact O-CG 3.18Å; E546-L550 PolarHBondContact O-N 3.38Å
547V98.4Very high97.9Very high71 Ų71100.1 Ų100.143%0.4350%0.503SS..Hα-helixtrans-63.3-37.4175.4169.80000111.8L543 K551L543-V547 WeakPolarHBondContact O-CB 3.48Å; L543-V547 VanDerWaalsContact O-CG2 3.28Å; L543-V547 WeakPolarHBondContact O-CG2 3.48Å; L543-V547 PolarHBondContact O-N 2.64Å; V547-K551 HydrophobicContact CG1-CD 4.03Å; V547-K551 HydrophobicContact CG1-CG 4.43Å; V547-K551 VanDerWaalsContact O-CB 3.3Å; V547-K551 WeakPolarHBondContact O-CB 3.27Å; V547-K551 VanDerWaalsContact O-CG 3.24Å; V547-K551 WeakPolarHBondContact O-CG 3.22Å; V547-K551 PolarHBondContact O-N 3.5Å
548A98.2Very high97.9Very high57 Ų57100.7 Ų100.747%0.47150%0.499SS..Hα-helixtrans-66.5-42175.900000112R544 I545 E546 K551 A552R544-A548 VanDerWaalsContact O-CB 3.29Å; R544-A548 WeakPolarHBondContact O-CB 3.26Å; R544-A548 PolarHBondContact O-N 2.84Å; I545-A548 PolarHBondContact O-N 3.37Å; E546-A548 VanDerWaalsContact C-N 3.33Å; E546-A548 PolarHBondContact O-N 3.21Å; A548-K551 PolarHBondContact O-N 3.11Å; A548-A552 PolarHBondContact O-N 2.64Å
549A98.1Very high97.8Very high60 Ų6098.5 Ų98.550%0.49649%0.489SS..Hα-helixtrans-62.7-48.4176.100000111.8I545 E546 K551 A552 E553I545-A549 PolarHBondContact O-N 3.17Å; E546-A549 PolarHBondContact O-N 3.19Å; A549-K551 VanDerWaalsContact C-N 3.33Å; A549-K551 PolarHBondContact O-N 2.89Å; A549-A552 PolarHBondContact O-N 3.32Å; A549-A552 VanDerWaalsContact O-N 3.16Å; A549-E553 PolarHBondContact O-N 3.3Å
550L98.2Very high97.6Very high90 Ų9099.3 Ų99.347%0.47149%0.494SS..Hα-helixtrans-64.5-35177.1-68171000112.5E546 T554E546-L550 HydrophobicContact CG-CD1 4.23Å; E546-L550 WeakPolarHBondContact O-CG 3.18Å; E546-L550 PolarHBondContact O-N 3.38Å; L550-T554 WeakPolarHBondContact O-CB 3.35Å; L550-T554 WeakPolarHBondContact O-CG2 3.33Å; L550-T554 PolarHBondContact O-N 3.12Å; L550-T554 PolarHBondContact O-OG1 3.11Å
551K98.2Very high97.5Very high143 Ų143102.7 Ų102.762%0.62251%0.511SS*.Hα-helixtrans-64.9-42.3171.9-79.1178.7177.9-174.50111.8V547 A548 A549 T554 E555V547-K551 HydrophobicContact CG1-CD 4.03Å; V547-K551 HydrophobicContact CG1-CG 4.43Å; V547-K551 VanDerWaalsContact O-CB 3.3Å; V547-K551 WeakPolarHBondContact O-CB 3.27Å; V547-K551 VanDerWaalsContact O-CG 3.24Å; V547-K551 WeakPolarHBondContact O-CG 3.22Å; V547-K551 PolarHBondContact O-N 3.5Å; A548-K551 PolarHBondContact O-N 3.11Å; A549-K551 VanDerWaalsContact C-N 3.33Å; A549-K551 PolarHBondContact O-N 2.89Å; K551-T554 PolarHBondContact O-OG1 3.33Å; K551-E555 VanDerWaalsContact O-CB 3.24Å; K551-E555 WeakPolarHBondContact O-CB 3.46Å; K551-E555 PolarHBondContact O-N 2.93Å
552A97.8Very high97.3Very high64 Ų64104.3 Ų104.353%0.52952%0.521SS..Hα-helixtrans-66.3-39.1176.100000112.6A548 A549 K556A548-A552 PolarHBondContact O-N 2.64Å; A549-A552 PolarHBondContact O-N 3.32Å; A549-A552 VanDerWaalsContact O-N 3.16Å; A552-K556 WeakPolarHBondContact O-CB 3.49Å; A552-K556 PolarHBondContact O-N 2.84Å
553E97.5Very high96.7Very high112 Ų112106.7 Ų106.752%0.52354%0.535SS..Hα-helixtrans-66.7-49.3175.5-177.2173.9-16000112A549 E555 K556 L557A549-E553 PolarHBondContact O-N 3.3Å; E553-E555 VanDerWaalsContact C-N 3.27Å; E553-E555 PolarHBondContact O-N 3.19Å; E553-K556 WeakPolarHBondContact O-CB 3.36Å; E553-K556 PolarHBondContact O-N 3.13Å; E553-L557 HydrophobicContact CG-CD1 4.19Å; E553-L557 WeakPolarHBondContact O-CG 3.34Å; E553-L557 PolarHBondContact O-N 3.19Å
554T97.5Very high95.1Very high56 Ų56109.2 Ų109.234%0.34458%0.578SS.*Hα-helixtrans-62.6-34.6177.254.40000112.2L550 K551 L557 R558L550-T554 WeakPolarHBondContact O-CB 3.35Å; L550-T554 WeakPolarHBondContact O-CG2 3.33Å; L550-T554 PolarHBondContact O-N 3.12Å; L550-T554 PolarHBondContact O-OG1 3.11Å; K551-T554 PolarHBondContact O-OG1 3.33Å; T554-L557 PolarHBondContact O-N 3.36Å; T554-R558 VanDerWaalsContact O-CG 3.32Å; T554-R558 WeakPolarHBondContact O-CG 3.5Å; T554-R558 PolarHBondContact O-N 3.03Å; T554-R558 PolarHBondContact OG1-NH1 2.99Å
555E97.3Very high94.9Very high86 Ų86105.8 Ų105.840%0.40257%0.574SS.*Hα-helixtrans-67.6-44.7173.1-178.452.4-15200112.3K551 E553 L557 R558 Q559K551-E555 VanDerWaalsContact O-CB 3.24Å; K551-E555 WeakPolarHBondContact O-CB 3.46Å; K551-E555 PolarHBondContact O-N 2.93Å; E553-E555 VanDerWaalsContact C-N 3.27Å; E553-E555 PolarHBondContact O-N 3.19Å; E555-L557 VanDerWaalsContact C-N 3.3Å; E555-L557 PolarHBondContact O-N 2.93Å; E555-R558 PolarHBondContact O-N 3.16Å; E555-Q559 WeakPolarHBondContact O-CG 3.45Å; E555-Q559 PolarHBondContact O-N 3.15Å; E555-Q559 WeakPolarHBondContact OE1-CG 3.42Å; E555-Q559 PolarHBondContact OE1-NE2 3.16Å
556K96.4Very high94.8Very high136 Ų136105.3 Ų105.359%0.59157%0.573SS**Hα-helixtrans-56.6-43.8172.6179-175.2174.2-172.10111.6A552 E553 Q559 M560A552-K556 WeakPolarHBondContact O-CB 3.49Å; A552-K556 PolarHBondContact O-N 2.84Å; E553-K556 WeakPolarHBondContact O-CB 3.36Å; E553-K556 PolarHBondContact O-N 3.13Å; K556-Q559 PolarHBondContact O-N 3.16Å; K556-M560 HydrophobicContact CG-SD 4.42Å; K556-M560 WeakPolarHBondContact O-CG 3.3Å; K556-M560 PolarHBondContact O-N 3.26Å
557L96.7Very high94.6Very high84 Ų84106.3 Ų106.344%0.4458%0.582SS.*Hα-helixtrans-65.9-42.5177.5-69172.1000111.9E553 T554 E555 Q559 M560 L561E553-L557 HydrophobicContact CG-CD1 4.19Å; E553-L557 WeakPolarHBondContact O-CG 3.34Å; E553-L557 PolarHBondContact O-N 3.19Å; T554-L557 PolarHBondContact O-N 3.36Å; E555-L557 VanDerWaalsContact C-N 3.3Å; E555-L557 PolarHBondContact O-N 2.93Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 2.91Å; L557-M560 PolarHBondContact O-N 3.37Å; L557-L561 WeakPolarHBondContact O-CG 3.4Å; L557-L561 PolarHBondContact O-N 3.41Å
558R97Very high94.3Very high148 Ų148108.4 Ų108.456%0.55859%0.591SS**Hα-helixtrans-58.2-44172.2-75.3178.9-169.91036.1111.9T554 E555 M560 L561 L562T554-R558 VanDerWaalsContact O-CG 3.32Å; T554-R558 WeakPolarHBondContact O-CG 3.5Å; T554-R558 PolarHBondContact O-N 3.03Å; T554-R558 PolarHBondContact OG1-NH1 2.99Å; E555-R558 PolarHBondContact O-N 3.16Å; R558-M560 VanDerWaalsContact C-N 3.31Å; R558-M560 PolarHBondContact O-N 3.39Å; R558-L561 PolarHBondContact O-N 2.89Å; R558-L562 WeakPolarHBondContact O-CB 3.49Å; R558-L562 PolarHBondContact O-N 3.35Å
559Q95.8Very high94.1Very high92 Ų92111.6 Ų111.643%0.4360%0.598SS.*Hα-helixtrans-66.9-29.8177.8-70178.821.700113.3E555 K556 L557 K563E555-Q559 WeakPolarHBondContact O-CG 3.45Å; E555-Q559 PolarHBondContact O-N 3.15Å; E555-Q559 WeakPolarHBondContact OE1-CG 3.42Å; E555-Q559 PolarHBondContact OE1-NE2 3.16Å; K556-Q559 PolarHBondContact O-N 3.16Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 2.91Å; Q559-K563 WeakPolarHBondContact O-CB 3.3Å; Q559-K563 WeakPolarHBondContact O-CD 3.08Å; Q559-K563 VanDerWaalsContact O-CG 3.24Å; Q559-K563 WeakPolarHBondContact O-CG 3.42Å
560M94.7Very high93.8Very high118 Ų118115 Ų11558%0.58161%0.605SS**Hα-helixtrans-71.6-44.3171.7-72.3176.162.900111.3K556 L557 R558 L562 K563 G564K556-M560 HydrophobicContact CG-SD 4.42Å; K556-M560 WeakPolarHBondContact O-CG 3.3Å; K556-M560 PolarHBondContact O-N 3.26Å; L557-M560 PolarHBondContact O-N 3.37Å; R558-M560 VanDerWaalsContact C-N 3.31Å; R558-M560 PolarHBondContact O-N 3.39Å; M560-L562 PolarHBondContact O-N 3.48Å; M560-K563 PolarHBondContact O-N 2.99Å; M560-K563 VanDerWaalsContact O-N 3.15Å; M560-G564 PolarHBondContact O-N 3.15Å
561L95.2Very high93.5Very high142 Ų142116.8 Ų116.874%0.74361%0.614SS**Hα-helixtrans-68.4-17.6177.8-69.2172.7000114.4L557 R558L557-L561 WeakPolarHBondContact O-CG 3.4Å; L557-L561 PolarHBondContact O-N 3.41Å; R558-L561 PolarHBondContact O-N 2.89Å
562L93.8Very high93.2Very high153 Ų153114.8 Ų114.880%0.80161%0.614SS**THydrogen-bonded Turntrans-91.8-10.2174.2-171.759.3000112.9R558 M560R558-L562 WeakPolarHBondContact O-CB 3.49Å; R558-L562 PolarHBondContact O-N 3.35Å; M560-L562 PolarHBondContact O-N 3.48Å
563K86.6Confident92.8Very high179 Ų179119 Ų11978%0.77862%0.621SS**THydrogen-bonded Turntrans-108-8.8-177.1-75.8177-178.7173.70114.1Q559 M560Q559-K563 WeakPolarHBondContact O-CB 3.3Å; Q559-K563 WeakPolarHBondContact O-CD 3.08Å; Q559-K563 VanDerWaalsContact O-CG 3.24Å; Q559-K563 WeakPolarHBondContact O-CG 3.42Å; M560-K563 PolarHBondContact O-N 2.99Å; M560-K563 VanDerWaalsContact O-N 3.15Å
564G65Low92.4Very high122 Ų122119.6 Ų119.6100%1.25863%0.63SS**  trans-118.80174.500000110.7M560M560-G564 PolarHBondContact O-N 3.15Å

Retrieved 564 of 564 residues in 109.9 ms (Link to these results)