A0A087XXH1_POEFO Loading...

Zgc:162472

AlphaFold DB , UniProt , Accession A0A087XXH1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 531 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M46.2Very low50Low239 Ų239188.4 Ų188.4100%1.17788%0.878SS**  0119.40-67.8173.2175.600108.7
2F39.1Very low49.2Very low215 Ų215186.5 Ų186.594%0.94388%0.879SS**  trans-88.3125.9177.1-75.2-85.1000110.8R4F2-R4 PolarHBondContact O-N 3.21Å
3R56.5Low49Very low251 Ų251181.4 Ų181.495%0.94787%0.867SS**  trans-79.9101.1172.3-66.7-173.9-179.7-152.10109S5R3-S5 PolarHBondContact O-N 3.02Å
4R54.8Low48.5Very low237 Ų237173.1 Ų173.189%0.89485%0.854SS**  trans-67122.7167.8-75.6-177.6168.8-127.8-0.4109F2F2-R4 PolarHBondContact O-N 3.21Å
5S49.8Very low48Very low109 Ų109171.3 Ų171.376%0.76286%0.857SS**  trans-63.9149.5165.347.80000109.8R3R3-S5 PolarHBondContact O-N 3.02Å
6R64.9Low47.5Very low238 Ų238169.6 Ų169.690%0.89886%0.857SS**  trans-109.8104.9175.3-60.9-173.475.4134.92.1108.1
7F42.8Very low46.9Very low199 Ų199164.1 Ų164.187%0.87385%0.853SS**  trans-63.9133.6166.6-109.7-99000108.9
8S50.8Low46.2Very low112 Ų112167.9 Ų167.978%0.78386%0.855SS**  trans-11896.4174.857.90000109.5
9V46.4Very low45.7Very low128 Ų128165.7 Ų165.778%0.77685%0.851SS**PPolyproline II helixtrans-81.7124.6170.6-178.70000107.9
10R49.7Very low45.2Very low232 Ų232162.1 Ų162.188%0.87585%0.846SS**PPolyproline II helixtrans-88.8126.4165.3-81.2-179.4163.2-176.2-6.6108
11P48.7Very low44.6Very low112 Ų112159.5 Ų159.573%0.72785%0.848SS**PPolyproline II helixtrans-67.5135.1166.629.7-32.6000108.9
12N40.6Very low43.9Very low166 Ų166151 Ų15189%0.88882%0.823SS**PPolyproline II helixtrans-81.6130171.8-161.716000108.4
13V46.6Very low43.9Very low120 Ų120147.9 Ų147.973%0.72782%0.821SS**  trans-128.5101.1-178.7-174.90000107.9
14G42Very low43.3Very low66 Ų66141.7 Ų141.768%0.6881%0.813SS**  trans-70.6140.3178.100000111.9
15T41.3Very low42.2Very low146 Ų146140.1 Ų140.190%0.89682%0.816SS**  trans-86.7111.6171.846.80000109.9
16V39.3Very low41.3Very low143 Ų143143.3 Ų143.387%0.86782%0.819SS**  trans-127.6138.8169.2178.90000108.5
17G37.3Very low40.6Very low77 Ų77136.6 Ų136.679%0.79481%0.806SS**  trans-78.2176.6-174.200000115.2
18R34.8Very low40.9Very low233 Ų233132.6 Ų132.688%0.87980%0.8SS**  trans-136.6121.4175.5-144.5-166178-160.2-1.3102.8
19T35.8Very low39.9Very low126 Ų126132 Ų13277%0.77380%0.802SS**  167.9163.176.131.30000106.5
20A36.2Very low39.2Very low92 Ų92130.8 Ų130.876%0.7681%0.805SS**  cis-171.2-173.5-15.200000108.6
21A32.3Very low38.2Very low108 Ų108124.6 Ų124.689%0.89380%0.798SS**  trans76138.1-179.600000116.3
22G32.5Very low37.4Very low62 Ų62127.1 Ų127.164%0.63980%0.8SS**  cis178.3126.5-11.400000116.1
23T38.1Very low36.8Very low149 Ų149126 Ų12691%0.91479%0.789SS**  trans65.3158.8164.833.40000118.1
24P45.2Very low36Very low120 Ų120125.3 Ų125.378%0.77979%0.785SS**  trans-130.2163.9-142.242.6-28.6000117.3
25Q31.3Very low35.4Very low204 Ų204127.4 Ų127.495%0.95379%0.79SS**  trans-153.1167.7149.1-136.4167.6-20.600111.5
26E30.5Very low35Very low176 Ų176129.4 Ų129.482%0.82279%0.789SS**  trans-108.1-163.8-169.7-137.4-160.711800112
27P51.1Low34.4Very low98 Ų98127.2 Ų127.264%0.63678%0.776SS**  trans-109.4-157.9-13742.6-22.8000111.6
28P48.6Very low34Very low115 Ų115131.6 Ų131.675%0.74778%0.776SS**  cis-144.8-176.32.144.8-25.4000118.7
29A30.3Very low33.7Very low98 Ų98129.5 Ų129.581%0.8177%0.773SS**  trans82172.2140.700000121.9
30A30.8Very low33.4Very low103 Ų103131.2 Ų131.285%0.85177%0.772SS**  trans82.499.416900000119.8
31S28.9Very low33.9Very low102 Ų102131.6 Ų131.671%0.71377%0.767SS**  trans-50.4172.1157.8-40.20000117.1
32Q32.7Very low33.7Very low165 Ų165132.3 Ų132.377%0.77176%0.756SS**  trans71.8153.8155.9-71.4171.3-8300116.1
33E27.7Very low33.6Very low142 Ų142137.4 Ų137.466%0.66476%0.763SS**  cis-153.2-175.5-7.8-133.3172.9131.700112.2
34T28.3Very low33.2Very low106 Ų106133.7 Ų133.765%0.6575%0.754SS**  trans31.4115.3153.654.70000119.9
35S29.9Very low32.5Very low111 Ų111133.2 Ų133.278%0.77675%0.754SS**  81.915773.6-64.40000115.1
36Q33Very low32.4Very low187 Ų187130.8 Ų130.887%0.87475%0.747SS**  trans82.8149.8171.6-60.6-167.92200118.2
37T26.6Very low32.3Very low97 Ų97126.9 Ų126.960%0.59575%0.745SS**  cis-175.9147.5-32.4-99.80000108.5
38Q29.6Very low31.3Very low170 Ų170127.4 Ų127.479%0.79475%0.751SS**  trans66.5163169.5-77.9155.925.600115.5
39K29.2Very low30.5Very low188 Ų188129.8 Ų129.882%0.81776%0.756SS**  cis-148.5144.313-144.3176.4-177.2179.60113.1
40E28.6Very low30.6Very low163 Ų163129.4 Ų129.476%0.76275%0.753SS**  trans-68.5178.1155.7-78.9-86174.500111.4
41P45.9Very low30.6Very low99 Ų99128.8 Ų128.864%0.64374%0.743SS**  cis-133.2-173.2-6.927.2-3.1000114.7
42N28.1Very low30.7Very low123 Ų123131.5 Ų131.566%0.65875%0.749SS**  134.3150.5113.9-136.862.7000119.3
43E30.3Very low30.7Very low170 Ų170129.3 Ų129.379%0.79475%0.752SS**  trans-43.5159.7-179.4-5515513600117.4
44G29.8Very low30.7Very low70 Ų70130.5 Ų130.572%0.72276%0.763SS**  cis166.1-163.11.300000113.4
45S30.9Very low30.9Very low111 Ų111129.7 Ų129.778%0.77677%0.767SS**  trans79.4106.6166.2-61.50000122.6
46N28.6Very low31.1Very low153 Ų153131 Ų13182%0.81877%0.77SS**  66.3111.8122.4-59.9-22000124.9
47A29.2Very low31.7Very low94 Ų94128 Ų12878%0.77777%0.767SS**  98.6143.9116.400000125
48S29.8Very low31.8Very low108 Ų108127.5 Ų127.576%0.75577%0.768SS**  trans80.5113153.362.30000125.1
49L31.6Very low31.8Very low165 Ų165126.9 Ų126.986%0.86477%0.765SS**  70.6123.7127.9-71.1164.9000123.9
50A32.3Very low31.9Very low90 Ų90125.4 Ų125.474%0.74477%0.766SS**  trans66.3152.1140.600000120.1
51S30.6Very low32.2Very low90 Ų90122 Ų12263%0.62977%0.765SS**  cis-171.2166.1-17.751.40000110.6
52N33Very low32.1Very low159 Ų159122.5 Ų122.585%0.8577%0.769SS**  trans70.9155.3164-54.7-23.2000116.2
53S32.3Very low32.3Very low120 Ų120122 Ų12284%0.83978%0.775SS**  cis-152.8154.6-1.842.50000110.5
54D27.6Very low32.2Very low167 Ų167120.1 Ų120.189%0.89378%0.775SS**  trans-110.9157.5173.1-171.820.6000111.7
55A32.5Very low32.3Very low88 Ų88126.8 Ų126.873%0.72778%0.779SS**  trans-150.3126.8-172.400000115.7
56T33.4Very low32.5Very low138 Ų138128.1 Ų128.185%0.84778%0.777SS**  trans-69154.8167.89.40000112.7
57P45.5Very low32.8Very low124 Ų124124.9 Ų124.981%0.80578%0.78SS**  -145.1-172.279.821.14.4000113.7
58S29.7Very low33Very low88 Ų88127.2 Ų127.262%0.61578%0.779SS**  cis-159.7168.7-33.9-168.20000108.6
59E29.2Very low33.4Very low156 Ų156127.3 Ų127.373%0.72977%0.771SS**  trans27.6132.6155.5-70.3153.7110.200122.3
60N31.7Very low33.9Very low158 Ų158127.1 Ų127.185%0.84577%0.766SS**  -174.8143.394.2-102.9-79.9000114.3
61A33.4Very low34.1Very low90 Ų90130.3 Ų130.374%0.74477%0.771SS**  trans-160146.6162.200000107.9
62P44.8Very low34.2Very low111 Ų111129.5 Ų129.572%0.72178%0.777SS**  -154.717393.740.4-22.5000116.7
63S31.1Very low34.4Very low111 Ų111129.9 Ų129.978%0.77678%0.778SS**  trans60.7164.9158.476.70000117.8
64T29.7Very low34.4Very low131 Ų131127.8 Ų127.880%0.80478%0.776SS**  cis-137.6161.612.8-58.70000113.6
65R32.1Very low34.7Very low211 Ų211124.3 Ų124.380%0.79677%0.77SS**  trans-73.6167.3-179.3172.4-177.4179-176.12.7115.8
66D34.6Very low34.9Very low139 Ų139125.7 Ų125.774%0.74378%0.775SS**  trans9136.7162-54.1-48.7000120.8
67G34Very low35.2Very low85 Ų85124.6 Ų124.688%0.87677%0.773SS**  trans-171.7106.5168.200000115.9
68N34.6Very low34.8Very low142 Ų142124.2 Ų124.276%0.75977%0.773SS**  trans-74.4157.6-174.5-176.445.9000116.5
69D37.3Very low35.3Very low111 Ų111124.8 Ų124.859%0.59478%0.783SS**  trans74.5142.4148.1-97.6-25.3000126.9
70Q43.2Very low35.8Very low161 Ų161123.1 Ų123.175%0.75279%0.788SS**  trans57107.9142.2-70.617374.600124.4
71N35.4Very low36.3Very low157 Ų157122.4 Ų122.484%0.8479%0.79SS**  43.3116.2118.3-163.276.5000121.2
72G32.8Very low37Very low73 Ų73126.9 Ų126.975%0.75380%0.795SS**  trans-166149.5165.900000113.6
73D37.1Very low36.7Very low166 Ų166133.3 Ų133.389%0.88881%0.805SS**  trans-95.9155.3-170.2-67.5-83.6000115.3
74G33.4Very low38Very low76 Ų76139.3 Ų139.378%0.78481%0.811SS**  trans118.8138132.900000120.9
75A33.5Very low39.1Very low94 Ų94142.5 Ų142.578%0.77781%0.813SS**  trans72.390.8147.700000122.6
76S37.4Very low40.5Very low117 Ų117144 Ų14482%0.81882%0.819SS**  59.5105.6115.6-55.80000123.1
77S38.1Very low41.4Very low116 Ų116147 Ų14781%0.81183%0.826SS**  -179109120.3-840000110.7
78S37.3Very low42.1Very low116 Ų116147.9 Ų147.981%0.81182%0.819SS**  91.889.777.275.20000114.5
79A40.7Very low43.1Very low99 Ų99148.8 Ų148.882%0.81882%0.822SS**  trans-141.7126.7164.200000110.1
80S40Very low44.2Very low121 Ų121152.2 Ų152.285%0.84683%0.832SS**  trans-99.2108-16648.40000113.5
81V41.6Very low44.7Very low144 Ų144149.8 Ų149.887%0.87383%0.83SS**  trans-89.1115.5177-178.10000111.2R83V81-R83 PolarHBondContact O-N 3.47Å
82Q47.5Very low45.5Very low184 Ų184152.8 Ų152.886%0.8684%0.835SS**  trans-65.5115.1-178-70-179.9-17.800113R84Q82-R84 PolarHBondContact O-N 3.39Å
83R40.1Very low46.3Very low245 Ų245155.6 Ų155.693%0.92584%0.838SS**  trans-70.194.4178.8-175.4-177.6-177.5-175.22.7111.8V81 K85V81-R83 PolarHBondContact O-N 3.47Å; R83-K85 PolarHBondContact O-N 3.04Å
84R57.5Low47.4Very low237 Ų237151.6 Ų151.689%0.89483%0.828SS**PPolyproline II helixtrans-52.8132.1175-66.8-173.3-178.4-176.71.7111.5Q82Q82-R84 PolarHBondContact O-N 3.39Å
85K52.3Low48.3Very low198 Ų198154.3 Ų154.386%0.86183%0.831SS**PPolyproline II helixtrans-64.6134.4-179.2-68.7-176.1179178.20110.9R83R83-K85 PolarHBondContact O-N 3.04Å
86R61.7Low48.7Very low243 Ų243153.4 Ų153.492%0.91783%0.831SS**PPolyproline II helixtrans-92.2118.7170.1-74.7-178.3170.1-123.70.1109.6S88R86-S88 PolarHBondContact O-N 3.21Å
87F54Low49.5Very low201 Ų201159.4 Ų159.488%0.88284%0.836SS**PPolyproline II helixtrans-69.8124.8171.6-67.8-86.5000110.5
88S48.5Very low50.2Low104 Ų104159 Ų15973%0.72783%0.83SS**  trans-103.885.7-179.247.90000111.2R86 K90R86-S88 PolarHBondContact O-N 3.21Å; S88-K90 PolarHBondContact O-N 3.28Å
89I56.4Low50.6Low162 Ų162159.2 Ų159.283%0.83183%0.829SS**  trans-71100.9174.1-57176.2000108.8
90K58.9Low50.5Low183 Ų183159.4 Ų159.480%0.79683%0.831SS**  trans-76126.9170.2-67.7-177.7179.6178.20109.2S88S88-K90 PolarHBondContact O-N 3.28Å
91P53.8Low50.8Low110 Ų110161.1 Ų161.171%0.71483%0.829SS**  trans-66.7137.2171.728.3-33.5000110.2V93P91-V93 PolarHBondContact O-N 2.9Å
92K52.8Low50.7Low220 Ų220159.6 Ų159.696%0.95783%0.825SS**  trans-67.5113.8172.2-74-175.6176.6-179.40109.2
93V50.3Low50.4Low132 Ų132162.5 Ų162.580%0.883%0.828SS**PPolyproline II helixtrans-94.7132167.7179.80000107.7P91P91-V93 PolarHBondContact O-N 2.9Å
94A59.7Low51Low82 Ų82156.8 Ų156.868%0.67882%0.82SS**PPolyproline II helixtrans-68.5150.4178.800000111.5
95P53Low50.3Low133 Ų133151.7 Ų151.786%0.86482%0.818SS**PPolyproline II helixtrans-56.7139.8177.9-25.535.3000113
96G41.6Very low49.8Very low75 Ų75151.9 Ų151.977%0.77382%0.819SS**PPolyproline II helixtrans-72.3144.8-178.200000113.3
97R53.5Low48.9Very low242 Ų242145.1 Ų145.191%0.91381%0.809SS**PPolyproline II helixtrans-79.3136.6169.8-164.8-179.3-164.8-149.95.2109.7
98P53.9Low48.7Very low107 Ų107141.6 Ų141.670%0.69581%0.806SS**PPolyproline II helixtrans-65.3154.9179.126.3-35000112.7
99P44.5Very low48.1Very low122 Ų122142.8 Ų142.879%0.79281%0.808SS**PPolyproline II helixtrans-70.5136.4-178.829.3-34.8000111.8
100A39.8Very low47.3Very low103 Ų103144.3 Ų144.385%0.85181%0.809SS**PPolyproline II helixtrans-81.6136.817500000111.4
101I46.3Very low46Very low156 Ų156140 Ų14080%0.881%0.808SS**PPolyproline II helixtrans-71.3148.7-177.8-65.1167.5000111
102S38Very low45Very low113 Ų113138.9 Ų138.979%0.7981%0.808SS**PPolyproline II helixtrans-58.8142.9177.744.70000113.2
103R42.5Very low44.1Very low245 Ų245134.4 Ų134.493%0.92580%0.804SS**  trans-134.6140.8167.9-77.4-171.9163.2171.9-5110.8
104T52.3Low43.3Very low125 Ų125134.5 Ų134.577%0.76781%0.805SS**PPolyproline II helixtrans-81.4158.5-176.843.80000112.3
105P42.3Very low42.7Very low129 Ų129135.8 Ų135.884%0.83881%0.806SS**PPolyproline II helixtrans-68.4138.4171.329.5-34.4000110.9
106K41.9Very low41.8Very low203 Ų203134.7 Ų134.788%0.88380%0.802SS**PPolyproline II helixtrans-101.2143.5169.5-73.1-173173.1-172.30110.5
107S42.2Very low41.2Very low101 Ų101138 Ų13871%0.70680%0.802SS**PPolyproline II helixtrans-81.2161.6162.4500000111.4
108P51.1Low40.3Very low127 Ų127132.8 Ų132.883%0.82579%0.791SS**PPolyproline II helixtrans-86.9153.2177.835.2-35.1000112.8
109V34.7Very low39.2Very low129 Ų129135.4 Ų135.478%0.78279%0.794SS**  trans-149.5152.9178-178.40000111.1
110K40.6Very low38.9Very low194 Ų194138.1 Ų138.184%0.84379%0.794SS**  trans80.8148.5167.2-104.1179.1175.8179.10116.7
111A32.3Very low39.1Very low93 Ų93138.4 Ų138.477%0.76979%0.787SS**  cis-153.2172.96.400000112.1
112A32.1Very low38.2Very low86 Ų86135.3 Ų135.371%0.71178%0.779SS**  cis-178.8146.6-40.600000109.6
113S34.3Very low37.7Very low125 Ų125136.6 Ų136.687%0.87478%0.782SS**  trans-156.7170.817049.10000112.4
114T32.9Very low37.1Very low135 Ų135129.5 Ų129.583%0.82877%0.77SS**  trans-132.6-176-161.653.50000111.5
115P47.4Very low36.2Very low109 Ų109128.1 Ų128.171%0.70877%0.765SS**  cis-131.8-165.7-10.831.9-9000114.6
116S33.5Very low35.9Very low109 Ų109130.9 Ų130.976%0.76277%0.767SS**  trans68.5154.616152.50000118.6
117D28.9Very low35.5Very low145 Ų145129.3 Ų129.378%0.77577%0.768SS**  cis-147.8-175.87.8-149.4-0.8000115.6
118L34.4Very low35Very low132 Ų132128.6 Ų128.669%0.69177%0.768SS**  trans-48.5143.3179.2-76.2145.3000119.4
119E32.2Very low34.2Very low162 Ų162131.9 Ų131.976%0.75777%0.769SS**  168.7172.5101.1-105.9-46.4145.100114.8
120K36.9Very low34.2Very low180 Ų180132 Ų13278%0.78377%0.771SS**  trans-115.2-164.1171.7-127.2-178.4-177.7174.40108.9
121P44Very low34.5Very low108 Ų108128.2 Ų128.270%0.70177%0.766SS**  cis-145171.224.544.8-23.8000119.3
122S27.4Very low34.4Very low92 Ų92128.3 Ų128.364%0.64377%0.767SS**  trans42.8153.4139.468.30000126.2
123T28.3Very low35Very low139 Ų139129.6 Ų129.685%0.85377%0.767SS**  trans83140.8149.3-50.50000117.1
124S29.6Very low34.9Very low97 Ų97135.4 Ų135.468%0.67877%0.77SS**  cis-168.3165.8-24.2-176.40000111.6
125S33.9Very low34.7Very low95 Ų95132.5 Ų132.566%0.66477%0.767SS**  trans61.7128.1146.852.60000125.3
126Q35.3Very low34.1Very low187 Ų187135.5 Ų135.587%0.87478%0.776SS**  trans65.5106.5134.9-68.1-176-27.200124.3
127L33.4Very low34Very low170 Ų170138.6 Ų138.689%0.8978%0.779SS**  30.3112.1116.9-167.974.3000121.2
128A31.7Very low34.6Very low87 Ų87136.1 Ų136.172%0.71977%0.773SS**  154139.6122.700000116.4
129K34.6Very low35.3Very low196 Ų196135 Ų13585%0.85277%0.773SS**  trans62.6101.6157.4-66.4177.9-179.91770121.6
130T33.8Very low35.3Very low132 Ų132138.4 Ų138.481%0.8178%0.779SS**  35138.2123.8-12.70000120.2
131P46.8Very low35.1Very low114 Ų114140 Ų14074%0.7478%0.78SS**  cis-150.1158.735.541.8-21.1000121.3
132A31.6Very low34.6Very low95 Ų95146.1 Ų146.179%0.78579%0.789SS**  trans63170155.400000118.6
133P44.2Very low35.1Very low112 Ų112152.9 Ų152.973%0.72780%0.801SS**  cis-127.4178.8-5.743-28.4000115.7
134R32.7Very low35.2Very low248 Ų248154 Ų15494%0.93680%0.801SS**  trans40.4128.7154-71.8178.5174.2-118.10.1121.1
135G28.7Very low35.4Very low73 Ų73153.7 Ų153.775%0.75380%0.798SS**  trans158.479139.500000121.6
136L34.3Very low35.4Very low172 Ų172156.8 Ų156.890%0.90180%0.802SS**  trans51103.8143.9-55.5177.8000121.2
137Q30.6Very low35.2Very low175 Ų175155.1 Ų155.182%0.81880%0.799SS**  trans-119.8145.2131.2-60.8-161.228.700106.7
138S41.6Very low35.5Very low93 Ų93150.3 Ų150.365%0.6578%0.784SS**  65.814750.5120.80000113.2
139P49.4Very low35.7Very low108 Ų108154.9 Ų154.970%0.70179%0.788SS**  cis-142.2178.3-2540.6-23000114.9
140R32.4Very low35.8Very low233 Ų233152.7 Ų152.788%0.87978%0.78SS**  trans68125.6145.3-121.4178.8-173.6178.92.9122.6
141R33.2Very low35.8Very low215 Ų215154.1 Ų154.181%0.81178%0.778SS**  trans88.3149.5136.6-126.6-174.7-158.6-87.15.2121.6
142R32.6Very low35Very low235 Ų235157.5 Ų157.589%0.88778%0.781SS**  trans85.8171.1165.9-88.6-179.1170.5151.4-3.7119.2
143R37.9Very low35.2Very low235 Ų235160.9 Ų160.989%0.88778%0.784SS**  trans-123.3-178.9-165.1-66.4-173177.6-166.31.1110.9
144L30.5Very low34.7Very low162 Ų162162.8 Ų162.885%0.84878%0.783SS**  trans97.1140.4-177.8-57.6171.4000111.1
145S34.1Very low35.4Very low90 Ų90156.4 Ų156.463%0.62977%0.774SS**  cis71128.745.8-143.50000110.4
146E33.2Very low35.5Very low161 Ų161161.1 Ų161.175%0.75277%0.773SS**  cis-141.8171.221.7-118115.4129.100113.2
147D31.7Very low35.5Very low152 Ų152159.2 Ų159.281%0.81377%0.769SS**  18.9160.1125.9-115.6-31.6000121.3
148A40.3Very low35.3Very low69 Ų69153.8 Ų153.857%0.5776%0.76SS**  cis-164.5178.618.300000117.1
149K35.4Very low35.5Very low183 Ų183155.3 Ų155.380%0.79677%0.768SS**  trans89149.7161.8-56.1170.2-174.8174.20116
150Q35.9Very low34.5Very low149 Ų149156.2 Ų156.270%0.69677%0.771SS**  cis-159.8174-19-110.3163.9-41.200106.1
151H33.8Very low34.3Very low162 Ų162150.5 Ų150.575%0.7577%0.767SS**  cis-118.8171.716-72.2-113.2000110
152K30.9Very low34.2Very low186 Ų186146.1 Ų146.181%0.80977%0.769SS**  59.4115.256.5-135.6174.4-178.9-179.30112.3
153I35.8Very low34Very low165 Ų165143.7 Ų143.785%0.84677%0.768SS**  -138.5166.455.9-75.1159.6000113.3
154Q33.8Very low34.1Very low152 Ų152142 Ų14271%0.7177%0.767SS**  trans-135.5160175.8-136.4-166.866.700109.5
155P46.9Very low34.8Very low114 Ų114139.9 Ų139.974%0.7476%0.763SS**  -134170.173.223.20.4000113.3
156K31.4Very low34.5Very low172 Ų172139 Ų13975%0.74877%0.767SS**  68.9133.650.9-118-174.4177.9-176.30112
157V33.5Very low35.6Very low132 Ų132137.2 Ų137.280%0.877%0.77SS**  cis-143.2167.420.3-163.30000110.4
158G27Very low36.3Very low62 Ų62135.7 Ų135.764%0.63977%0.769SS**  trans-96-149.2165.300000112.8
159P46.5Very low35.7Very low125 Ų125137.3 Ų137.381%0.81278%0.775SS**  cis-147.3-171.51.344.6-24.6000117
160V27.3Very low35.5Very low127 Ų127135.2 Ų135.277%0.7778%0.778SS**  trans79140.1157.3-1800000120.9
161S29.4Very low35.2Very low112 Ų112133 Ų13378%0.78378%0.778SS**  trans61.9136.1161.7-74.50000122.8
162S31.3Very low35.8Very low124 Ų124130.2 Ų130.287%0.86778%0.775SS**  trans-155127.9153.6-175.90000108.9
163E27.8Very low35.8Very low184 Ų184126.5 Ų126.586%0.8677%0.773SS**  trans-102166.3179.9-67.1-170.9111.500112.3
164K39.2Very low35.6Very low199 Ų199127.3 Ų127.387%0.86577%0.773SS**  trans-82.4176163.9-117.7-178.6176.7-177.60109.1
165P44.8Very low35.3Very low118 Ų118127.2 Ų127.277%0.76678%0.777SS**  cis-138.5-172.9-4.241.1-23.2000115.2
166G28Very low34.6Very low70 Ų70126.2 Ų126.272%0.72277%0.773SS**  trans120.5135138.400000118.4
167P56.2Low34.7Very low125 Ų125126.3 Ų126.381%0.81278%0.781SS**  trans-109158.9173.539.8-32.7000114.4
168P47Very low34.7Very low120 Ų120128.4 Ų128.478%0.77978%0.779SS**  -146.6173.7126.934.4-17.5000113.9
169S27.3Very low35.4Very low102 Ų102131.6 Ų131.671%0.71379%0.788SS**  cis-171.1169.5-37.357.80000110.8
170V31.6Very low34.4Very low140 Ų140130 Ų13085%0.84878%0.777SS**  trans66.2157.8165.7-129.20000120.5
171S30.5Very low34.5Very low101 Ų101132.7 Ų132.771%0.70678%0.78SS**  trans-121.2-166.2173.959.20000108.4
172P45.5Very low35Very low105 Ų105134.2 Ų134.268%0.68278%0.779SS**  cis-140.6-178.6-0.741.4-21.6000117
173S30.2Very low35.9Very low108 Ų108134.2 Ų134.276%0.75578%0.776SS**  trans80138136.5-85.60000125.4
174E32.1Very low36.1Very low181 Ų181129.8 Ų129.885%0.84677%0.771SS**  trans91.7123.9144.1-59.3-93.2100.400123.4
175D28.4Very low35.7Very low150 Ų150126.6 Ų126.680%0.80276%0.763SS**  trans86.8164.1141.6-138.29.6000124.7
176S31.6Very low35.1Very low93 Ų93131.3 Ų131.365%0.6577%0.766SS**  trans-88.5167.6-143.9-61.40000117.7
177L33Very low35.5Very low175 Ų175132.4 Ų132.492%0.91676%0.762SS**  -167.9172.2115-101.9168.2000115
178K33.8Very low34.8Very low175 Ų175135.2 Ų135.276%0.76176%0.762SS**  trans-88.8176.9-169.2-120.9179.4-178.1171.40112.7
179P41.7Very low34.1Very low129 Ų129137 Ų13784%0.83876%0.759SS**  cis-146-175.848.140.2-17.3000118.9
180T25.5Very low34.4Very low93 Ų93137.8 Ų137.857%0.57176%0.76SS**  trans-95.4161-169.2-46.60000114.2
181H29.5Very low34.4Very low182 Ų182138.6 Ų138.684%0.84376%0.755SS**  trans-150.6153.9141.8-119.4-80.3000114.7
182L39.1Very low34.4Very low144 Ų144139.2 Ų139.275%0.75475%0.75SS**  trans-146.5-179.4178.2-81.2-178.6000107.9
183P51.9Low33.7Very low124 Ų124141 Ų14181%0.80575%0.752SS**  cis-111.7-136.92.126.9-1.8000111.4
184A30.3Very low33.8Very low91 Ų91141 Ų14175%0.75275%0.752SS**  cis-163.9-177.15.600000108.5
185D31Very low33.7Very low133 Ų133137.4 Ų137.471%0.71174%0.743SS**  cis-159.9169.9-2.7-179.328000108.8
186R33Very low33.9Very low217 Ų217134.8 Ų134.882%0.81974%0.736SS**  trans72.3151.6163.8-55.8-165175.4-174.7-4.5121.3
187S35.4Very low33.8Very low92 Ų92139 Ų13964%0.64375%0.746SS**  cis-177.4136.3-36.257.40000111.4
188K41.6Very low33.6Very low185 Ų185134.7 Ų134.780%0.80474%0.735SS**  trans63.3164.1161.7-60178172.8-173.20116.6
189Q33.2Very low33.7Very low156 Ų156135.8 Ų135.873%0.72974%0.74SS**  cis-165.1169.5-30.9-98.3175.2-89.500104.7
190V34.4Very low33Very low120 Ų120137.6 Ų137.673%0.72774%0.737SS**  cis-136.6-176.514.5-168.20000109
191E31.3Very low33.2Very low157 Ų157138.3 Ų138.373%0.73474%0.741SS**  trans-72.5-173.4170-50.2146-166.400112.8
192N29.8Very low33.2Very low113 Ų113137.9 Ų137.960%0.60474%0.739SS**  cis-149133.319.2-105.9-54.8000114.3
193I30.4Very low32.8Very low143 Ų143136.4 Ų136.473%0.73374%0.741SS**  40.6123.1122-58.5-178.7000121.1
194S32.6Very low31.7Very low108 Ų108142 Ų14276%0.75575%0.746SS**  -154.8108.4123.8-166.60000113.6
195T29.4Very low31.9Very low106 Ų106142 Ų14265%0.6575%0.746SS**  trans8.7120.8135.7270000119.2
196S33.1Very low32Very low94 Ų94145.1 Ų145.166%0.65776%0.756SS**  75.8145.484.982.20000114.1
197Q30.8Very low32Very low182 Ų182141.8 Ų141.885%0.8575%0.754SS**  cis-152.4-172.126.2-70.8-174.49.900109
198A28.5Very low32Very low85 Ų85148.6 Ų148.670%0.70277%0.766SS**  cis-170.2174.8-44.900000108.7
199K34.3Very low32.1Very low197 Ų197146 Ų14686%0.85777%0.765SS**  trans69.3148.7178.2-66.6179173.3177.20117.3
200E27.9Very low32.5Very low167 Ų167144 Ų14478%0.7877%0.766SS**  cis155.6163.6-30.8-178-176.7-160.100108.5
201V29.6Very low32.9Very low108 Ų108143.9 Ų143.966%0.65577%0.767SS**  trans91.793.4163-164.30000119.4
202H30.5Very low33.3Very low174 Ų174142.1 Ų142.181%0.80677%0.772SS**  trans67.4141.9136.3-60.9-24.6000126.8
203S30.2Very low33.9Very low113 Ų113144 Ų14479%0.7978%0.781SS**  trans9699.5134.766.40000123.4
204R27.5Very low34.7Very low242 Ų242141.8 Ų141.891%0.91378%0.776SS**  52.797.6121.4-160.4173.1-167.9161.33.4121
205A35.7Very low35.4Very low90 Ų90143.2 Ų143.274%0.74478%0.775SS**  trans43.4126.1132.600000121.9
206H33.1Very low36.6Very low198 Ų198146.7 Ų146.792%0.91778%0.781SS**  trans-142149145.3-104.3-80.4000111.3
207D33.3Very low37.4Very low147 Ų147149.6 Ų149.679%0.78678%0.784SS**  trans-74.6140175.6173.333.5000112.1
208R33.9Very low38.3Very low235 Ų235143.5 Ų143.589%0.88777%0.765SS**  trans-166.7142.4160.4-109.5162.7-156.2-125.72.9112.8
209V43.9Very low39.5Very low130 Ų130143.8 Ų143.879%0.78876%0.758SS**PPolyproline II helixtrans-55.9135.1-179.3179.40000113.1
210P42.2Very low40.7Very low114 Ų114139.7 Ų139.774%0.7474%0.742SS**PPolyproline II helixtrans-69.8136.5171.5-17.631.4000112.8
211P42.9Very low41.9Very low118 Ų118137.5 Ų137.577%0.76673%0.734SS**PPolyproline II helixtrans-79.9165.817832.8-35.8000113.7
212S40.2Very low43.2Very low120 Ų120135.1 Ų135.184%0.83972%0.723SS**PPolyproline II helixtrans-67.4138.1179.550.30000114.4
213I41.5Very low44.4Very low153 Ų153132.2 Ų132.279%0.78571%0.71SS**PPolyproline II helixtrans-85.8140.6170.7-64.2175.6000109
214P47.4Very low45.5Very low96 Ų96132.8 Ų132.862%0.62370%0.698SS**PPolyproline II helixtrans-85.5155.9-16232.7-37.8000116.4K216P214-K216 PolarHBondContact O-N 2.86Å
215D48.4Very low46.8Very low139 Ų139123.8 Ų123.874%0.74368%0.675SS**THydrogen-bonded Turntrans-60.65.4-171.6-61.4-80000118.5E217 A218D215-E217 VanDerWaalsContact C-N 3.33Å; D215-E217 PolarHBondContact O-N 3.44Å; D215-A218 PolarHBondContact O-N 3.05Å
216K54.4Low47.6Very low179 Ų179125.2 Ų125.278%0.77867%0.665SS**Hα-helixtrans-72.6-21-169.2-67.3-166.3176-175.10114.8P214 T219P214-K216 PolarHBondContact O-N 2.86Å; K216-T219 PolarHBondContact O-OG1 2.74Å
217E48.5Very low48.5Very low155 Ų155120.5 Ų120.572%0.72465%0.65SS**Hα-helixtrans-85.3-24.6174.8-64.9178.3-157.600112.4D215 T219 E220 I221D215-E217 VanDerWaalsContact C-N 3.33Å; D215-E217 PolarHBondContact O-N 3.44Å; E217-T219 VanDerWaalsContact C-N 3.32Å; E217-T219 PolarHBondContact O-N 2.8Å; E217-E220 PolarHBondContact O-N 3.12Å; E217-I221 WeakPolarHBondContact O-CG1 3.46Å; E217-I221 PolarHBondContact O-N 2.69Å
218A51.4Low49.3Very low54 Ų54120 Ų12045%0.44665%0.647SS.*Hα-helixtrans-69.5-27.7-176.100000113.3D215 I221 S222D215-A218 PolarHBondContact O-N 3.05Å; A218-I221 WeakPolarHBondContact O-CG1 3.12Å; A218-S222 WeakPolarHBondContact O-CB 3.38Å; A218-S222 PolarHBondContact O-N 3.36Å
219T52.5Low49.9Very low91 Ų91116 Ų11656%0.55864%0.641SS**Hα-helixtrans-76.8-41.5175.849.50000112.1K216 E217 S222 E223K216-T219 PolarHBondContact O-OG1 2.74Å; E217-T219 VanDerWaalsContact C-N 3.32Å; E217-T219 PolarHBondContact O-N 2.8Å; T219-S222 VanDerWaalsContact O-CB 3.3Å; T219-S222 WeakPolarHBondContact O-CB 3.35Å; T219-S222 PolarHBondContact O-N 3.2Å; T219-S222 VanDerWaalsContact O-N 3.11Å; T219-E223 VanDerWaalsContact O-CG 3.26Å; T219-E223 WeakPolarHBondContact O-CG 3.25Å; T219-E223 PolarHBondContact O-N 3.43Å
220E59.2Low50.1Low111 Ų111114.9 Ų114.952%0.51964%0.639SS.*Hα-helixtrans-68.1-39.2-177-155-166.7130.800112.3E217 S222 E223 K224E217-E220 PolarHBondContact O-N 3.12Å; E220-S222 VanDerWaalsContact C-N 3.27Å; E220-S222 PolarHBondContact O-N 3.33Å; E220-E223 PolarHBondContact O-N 3.11Å; E220-K224 PolarHBondContact O-N 3.43Å; E220-K224 WeakPolarHBondContact OE1-CE 3.37Å; E220-K224 IonicContact OE1-NZ 2.78Å; E220-K224 PolarHBondContact OE1-NZ 3.01Å
221I54.3Low50Low120 Ų120113.4 Ų113.462%0.61563%0.632SS**Hα-helixtrans-66.4-30.1172.165.6-178.7000112.2E217 A218 A225E217-I221 WeakPolarHBondContact O-CG1 3.46Å; E217-I221 PolarHBondContact O-N 2.69Å; A218-I221 WeakPolarHBondContact O-CG1 3.12Å; I221-A225 WeakPolarHBondContact O-CB 3.41Å; I221-A225 PolarHBondContact O-N 3.05Å
222S55.8Low50.7Low58 Ų58117.2 Ų117.241%0.40664%0.636SS.*Hα-helixtrans-70.3-38.2176-174.60000111.9A218 T219 E220 A225 K226A218-S222 WeakPolarHBondContact O-CB 3.38Å; A218-S222 PolarHBondContact O-N 3.36Å; T219-S222 VanDerWaalsContact O-CB 3.3Å; T219-S222 WeakPolarHBondContact O-CB 3.35Å; T219-S222 PolarHBondContact O-N 3.2Å; T219-S222 VanDerWaalsContact O-N 3.11Å; E220-S222 VanDerWaalsContact C-N 3.27Å; E220-S222 PolarHBondContact O-N 3.33Å; S222-A225 PolarHBondContact O-N 2.89Å; S222-K226 WeakPolarHBondContact O-CG 3.36Å; S222-K226 PolarHBondContact O-N 2.84Å
223E55.1Low51.3Low114 Ų114118.6 Ų118.653%0.53363%0.634SS.*Hα-helixtrans-69.5-45.2176-59.2-101.9101.400111.2T219 E220 A225 K226 T227T219-E223 VanDerWaalsContact O-CG 3.26Å; T219-E223 WeakPolarHBondContact O-CG 3.25Å; T219-E223 PolarHBondContact O-N 3.43Å; E220-E223 PolarHBondContact O-N 3.11Å; E223-A225 PolarHBondContact O-N 3.49Å; E223-K226 PolarHBondContact O-N 2.97Å; E223-K226 IonicContact OE1-NZ 2.66Å; E223-K226 PolarHBondContact OE1-NZ 3.3Å; E223-T227 PolarHBondContact O-N 3.33Å
224K55.1Low51.4Low124 Ų124118.1 Ų118.154%0.53964%0.638SS.*Hα-helixtrans-62-27.1173.7-74.7168.9172.6169.50113E220 T227E220-K224 PolarHBondContact O-N 3.43Å; E220-K224 WeakPolarHBondContact OE1-CE 3.37Å; E220-K224 IonicContact OE1-NZ 2.78Å; E220-K224 PolarHBondContact OE1-NZ 3.01Å; K224-T227 PolarHBondContact O-OG1 3.02Å
225A53.6Low51.3Low53 Ų53120.2 Ų120.244%0.43864%0.642SS.*Hα-helixtrans-75.2-29.9172.800000113.7I221 S222 E223I221-A225 WeakPolarHBondContact O-CB 3.41Å; I221-A225 PolarHBondContact O-N 3.05Å; S222-A225 PolarHBondContact O-N 2.89Å; E223-A225 PolarHBondContact O-N 3.49Å
226K53.4Low51.4Low121 Ų121118.9 Ų118.953%0.52664%0.644SS.*Hα-helixtrans-70.8-38.5-180-67.9164.9-157168.90112.3S222 E223 L228 I229S222-K226 WeakPolarHBondContact O-CG 3.36Å; S222-K226 PolarHBondContact O-N 2.84Å; E223-K226 PolarHBondContact O-N 2.97Å; E223-K226 IonicContact OE1-NZ 2.66Å; E223-K226 PolarHBondContact OE1-NZ 3.3Å; K226-L228 VanDerWaalsContact C-N 3.35Å; K226-L228 PolarHBondContact O-N 3.35Å; K226-I229 PolarHBondContact O-N 3.48Å
227T52Low50.9Low99 Ų99114.8 Ų114.861%0.60763%0.629SS**Hα-helixtrans-68.5-32.2-177.854.40000112.9E223 K224 I229 S230E223-T227 PolarHBondContact O-N 3.33Å; K224-T227 PolarHBondContact O-OG1 3.02Å; T227-I229 PolarHBondContact O-N 3.2Å; T227-S230 PolarHBondContact O-N 3.07Å
228L48.7Very low51.3Low137 Ų137111.5 Ų111.572%0.71762%0.619SS**THydrogen-bonded Turntrans-68.9-7.6178.3-72.4172.9000115.1K226K226-L228 VanDerWaalsContact C-N 3.35Å; K226-L228 PolarHBondContact O-N 3.35Å
229I48.6Very low51.6Low150 Ų150114.5 Ų114.577%0.76963%0.634SS**THydrogen-bonded Turntrans-95.7-10.2-179.3-61.2175.3000111.9K226 T227K226-I229 PolarHBondContact O-N 3.48Å; T227-I229 PolarHBondContact O-N 3.2Å
230S47.2Very low51.7Low106 Ų106114.2 Ų114.274%0.74164%0.636SS**THydrogen-bonded Turntrans-103.1-17.7-175-153.50000115T227 K232T227-S230 PolarHBondContact O-N 3.07Å; S230-K232 PolarHBondContact O-N 2.94Å
231S40.6Very low51.2Low84 Ų84110.2 Ų110.259%0.58762%0.622SS**  trans-85.668.6-174.646.20000113.7N233S231-N233 VanDerWaalsContact C-N 3.26Å; S231-N233 PolarHBondContact O-N 3.44Å
232K57.7Low51.2Low198 Ų198108.9 Ų108.986%0.86161%0.614SS**  trans-80.258.9-179.2-162-175.9176.3-1800114.3S230S230-K232 PolarHBondContact O-N 2.94Å
233N51.8Low51.2Low149 Ų149109.5 Ų109.580%0.79762%0.619SS**SBendtrans-174.9165.5150.4-100.8-14.3000111S231S231-N233 VanDerWaalsContact C-N 3.26Å; S231-N233 PolarHBondContact O-N 3.44Å
234V44.5Very low51.2Low142 Ų142109.2 Ų109.286%0.86162%0.62SS**  trans7880.1-170.4-1680000113.6
235I45.3Very low51.2Low141 Ų141105.2 Ų105.272%0.72361%0.608SS**  trans-96.2125152.6-63.7171.1000106.3M237I235-M237 HydrophobicContact CG2-CE 4.46Å; I235-M237 PolarHBondContact O-N 3.4Å
236S50.5Low51.4Low111 Ų111112.2 Ų112.278%0.77662%0.623SS**  trans-65.7100.3169.739.30000109.5T238S236-T238 PolarHBondContact O-N 3.39Å
237M44.1Very low51.6Low93 Ų93112.2 Ų112.246%0.45863%0.628SS.*  trans-66.1120.1-177.5-67.8-102.481.300110.3I235 A241 M242I235-M237 HydrophobicContact CG2-CE 4.46Å; I235-M237 PolarHBondContact O-N 3.4Å; M237-A241 HydrophobicContact CE-CB 3.69Å; M237-A241 HydrophobicContact SD-CB 4.34Å; M237-M242 HydrophobicContact CB-CG 3.66Å; M237-M242 HydrophobicContact CB-SD 4.17Å; M237-M242 HydrophobicContact CG-CG 4.38Å
238T56.9Low51.8Low86 Ų86112.6 Ų112.653%0.52863%0.626SS.*  trans-64.5149.4165.562.90000109.6S236 S240 A241 M242S236-T238 PolarHBondContact O-N 3.39Å; T238-S240 PolarHBondContact O-N 2.85Å; T238-S240 VanDerWaalsContact O-N 3.1Å; T238-A241 WeakPolarHBondContact O-CB 3.23Å; T238-A241 PolarHBondContact O-N 3.33Å; T238-M242 PolarHBondContact O-N 3.47Å
239P56.8Low52.6Low116 Ų116111.6 Ų111.675%0.75362%0.621SS**Hα-helixtrans-59.5-28.2-176.320.7-32.5000113.2M242 S243P239-M242 PolarHBondContact O-N 2.77Å; P239-S243 PolarHBondContact O-N 2.95Å
240S53.9Low54Low85 Ų85107.9 Ų107.959%0.59460%0.603SS**Hα-helixtrans-66.4-41.6172.6-173.80000112.7T238 M242 S243 L244T238-S240 PolarHBondContact O-N 2.85Å; T238-S240 VanDerWaalsContact O-N 3.1Å; S240-M242 VanDerWaalsContact C-N 3.27Å; S240-M242 PolarHBondContact O-N 2.98Å; S240-S243 WeakPolarHBondContact O-CB 3.27Å; S240-S243 PolarHBondContact O-N 3.37Å; S240-S243 VanDerWaalsContact O-N 3.11Å; S240-L244 PolarHBondContact O-N 3.36Å
241A49Very low55.7Low28 Ų28107.4 Ų107.423%0.23160%0.597CS.*Hα-helixtrans-65.1-31.2177.200000112.5M237 T238 S243 L244 S245M237-A241 HydrophobicContact CE-CB 3.69Å; M237-A241 HydrophobicContact SD-CB 4.34Å; T238-A241 WeakPolarHBondContact O-CB 3.23Å; T238-A241 PolarHBondContact O-N 3.33Å; A241-S243 VanDerWaalsContact C-N 3.28Å; A241-S243 PolarHBondContact O-N 2.96Å; A241-L244 PolarHBondContact O-N 3.33Å; A241-S245 PolarHBondContact O-N 3.12Å; A241-S245 PolarHBondContact O-OG 2.77Å
242M53.8Low57.8Low91 Ų91106.3 Ų106.345%0.44859%0.59SS.*Hα-helixtrans-68.7-23.7174.3-58.9-150.282.300113.8M237 T238 P239 S240 S245 R246M237-M242 HydrophobicContact CB-CG 3.66Å; M237-M242 HydrophobicContact CB-SD 4.17Å; M237-M242 HydrophobicContact CG-CG 4.38Å; T238-M242 PolarHBondContact O-N 3.47Å; P239-M242 PolarHBondContact O-N 2.77Å; S240-M242 VanDerWaalsContact C-N 3.27Å; S240-M242 PolarHBondContact O-N 2.98Å; M242-S245 WeakPolarHBondContact CA-OG 3.21Å; M242-S245 PolarHBondContact O-OG 3.3Å; M242-R246 WeakPolarHBondContact O-CG 3.37Å; M242-R246 PolarHBondContact O-N 3.34Å
243S57.7Low59.1Low72 Ų7298.5 Ų98.550%0.50356%0.557SS.*Hα-helixtrans-72-47.4173.6-170.60000111.2P239 S240 A241 R246 L247P239-S243 PolarHBondContact O-N 2.95Å; S240-S243 WeakPolarHBondContact O-CB 3.27Å; S240-S243 PolarHBondContact O-N 3.37Å; S240-S243 VanDerWaalsContact O-N 3.11Å; A241-S243 VanDerWaalsContact C-N 3.28Å; A241-S243 PolarHBondContact O-N 2.96Å; S243-R246 PolarHBondContact O-N 3.44Å; S243-L247 PolarHBondContact O-N 3.34Å
244L53.3Low60.7Low107 Ų10795 Ų9556%0.5654%0.541SS*.Hα-helixtrans-68.3-35.6178.3-65177.9000112.7S240 A241 L247 L248S240-L244 PolarHBondContact O-N 3.36Å; A241-L244 PolarHBondContact O-N 3.33Å; L244-L247 PolarHBondContact O-N 3.28Å; L244-L248 WeakPolarHBondContact O-CG 3.39Å; L244-L248 PolarHBondContact O-N 3Å; L244-L248 VanDerWaalsContact O-N 3.12Å
245S56.6Low63Low41 Ų4193.4 Ų93.429%0.28752%0.524SS..Hα-helixtrans-71-27.8176.4680000113A241 M242 N249A241-S245 PolarHBondContact O-N 3.12Å; A241-S245 PolarHBondContact O-OG 2.77Å; M242-S245 WeakPolarHBondContact CA-OG 3.21Å; M242-S245 PolarHBondContact O-OG 3.3Å; S245-N249 WeakPolarHBondContact O-CB 3.49Å; S245-N249 PolarHBondContact O-N 3.36Å; S245-N249 PolarHBondContact O-ND2 3.45Å
246R57.8Low65.1Low199 Ų19993.6 Ų93.675%0.75152%0.516SS*.Hα-helixtrans-68.7-43.2169.2-76.5177.4179.5177.51.7112M242 S243 L248 N249M242-R246 WeakPolarHBondContact O-CG 3.37Å; M242-R246 PolarHBondContact O-N 3.34Å; S243-R246 PolarHBondContact O-N 3.44Å; R246-L248 VanDerWaalsContact C-N 3.27Å; R246-L248 PolarHBondContact O-N 3.43Å; R246-N249 PolarHBondContact O-N 3.26Å
247L57.1Low67Low122 Ų12293.9 Ų93.964%0.63951%0.506SS*.Hα-helixtrans-63.8-27.9177.4-92.5164.1000114S243 L244S243-L247 PolarHBondContact O-N 3.34Å; L244-L247 PolarHBondContact O-N 3.28Å
248L55.3Low69.3Low106 Ų10695.2 Ų95.256%0.55552%0.515SS*.THydrogen-bonded Turntrans-95.3-0.3-179.9-68171000114.5L244 R246L244-L248 WeakPolarHBondContact O-CG 3.39Å; L244-L248 PolarHBondContact O-N 3Å; L244-L248 VanDerWaalsContact O-N 3.12Å; R246-L248 VanDerWaalsContact C-N 3.27Å; R246-L248 PolarHBondContact O-N 3.43Å
249N65.9Low71.1Confident116 Ų11697.3 Ų97.362%0.6252%0.517SS*.  trans-116.912.9178.4-76-64.4000113.7S245 R246S245-N249 WeakPolarHBondContact O-CB 3.49Å; S245-N249 PolarHBondContact O-N 3.36Å; S245-N249 PolarHBondContact O-ND2 3.45Å; R246-N249 PolarHBondContact O-N 3.26Å
250D78.9Confident72.9Confident72 Ų7294.4 Ų94.439%0.38550%0.502SS..  trans-58.4125165.2174-2.6000109.1S252 D253 V254D250-S252 PolarHBondContact O-N 2.77Å; D250-S252 VanDerWaalsContact O-N 3.12Å; D250-S252 WeakPolarHBondContact OD1-CB 3.34Å; D250-S252 PolarHBondContact OD1-N 2.75Å; D250-D253 HydrophobicContact CB-CB 4.19Å; D250-D253 WeakPolarHBondContact O-CA 3.28Å; D250-D253 PolarHBondContact O-N 2.93Å; D250-V254 PolarHBondContact O-N 3.02Å
251P81.4Confident74.8Confident96 Ų9699 Ų9962%0.62351%0.506SS*.Hα-helixtrans-57.2-27177.523.4-34.4000113.1Q255P251-Q255 WeakPolarHBondContact O-CG 3.44Å; P251-Q255 PolarHBondContact O-N 2.77Å
252S85.3Confident77Confident62 Ų62106.6 Ų106.643%0.43453%0.529SS..Hα-helixtrans-64.7-40.5171.1-167.10000111.9D250 Q255 R256D250-S252 PolarHBondContact O-N 2.77Å; D250-S252 VanDerWaalsContact O-N 3.12Å; D250-S252 WeakPolarHBondContact OD1-CB 3.34Å; D250-S252 PolarHBondContact OD1-N 2.75Å; S252-Q255 WeakPolarHBondContact O-CB 3.4Å; S252-Q255 PolarHBondContact O-N 3.47Å; S252-R256 PolarHBondContact O-N 2.91Å
253D85.1Confident79Confident33 Ų33107 Ų10718%0.17653%0.533CS..Hα-helixtrans-76.8-36.4178.9-144.669.2000112.3D250 Q255 R256 M257D250-D253 HydrophobicContact CB-CB 4.19Å; D250-D253 WeakPolarHBondContact O-CA 3.28Å; D250-D253 PolarHBondContact O-N 2.93Å; D253-Q255 VanDerWaalsContact C-N 3.28Å; D253-Q255 PolarHBondContact O-N 3.1Å; D253-R256 CarbonylContact O-C 3.58Å; D253-R256 WeakPolarHBondContact O-CA 3.42Å; D253-R256 VanDerWaalsContact O-CB 3.32Å; D253-R256 WeakPolarHBondContact O-CB 3.44Å; D253-R256 PolarHBondContact O-N 2.91Å; D253-R256 IonicContact OD1-CZ 3.15Å; D253-R256 IonicContact OD1-NE 2.69Å; D253-R256 PolarHBondContact OD1-NE 3.41Å; D253-R256 IonicContact OD1-NH2 2.74Å; D253-R256 PolarHBondContact OD1-NH2 3.04Å; D253-M257 WeakPolarHBondContact O-CG 3.32Å; D253-M257 PolarHBondContact O-N 2.96Å
254V86.6Confident80.7Confident76 Ų76113 Ų11346%0.46154%0.544SS..Hα-helixtrans-57-43.8168.7177.50000110.6D250 M257 L258D250-V254 PolarHBondContact O-N 3.02Å; V254-M257 PolarHBondContact O-N 3.09Å; V254-L258 WeakPolarHBondContact O-CB 3.45Å; V254-L258 PolarHBondContact O-N 3.27Å
255Q90.7Very high82.7Confident108 Ų108112 Ų11251%0.50554%0.537SS..Hα-helixtrans-64.3-38.5171.5-73.6-175.131.700112.7P251 S252 D253 L258 K259P251-Q255 WeakPolarHBondContact O-CG 3.44Å; P251-Q255 PolarHBondContact O-N 2.77Å; S252-Q255 WeakPolarHBondContact O-CB 3.4Å; S252-Q255 PolarHBondContact O-N 3.47Å; D253-Q255 VanDerWaalsContact C-N 3.28Å; D253-Q255 PolarHBondContact O-N 3.1Å; Q255-L258 PolarHBondContact O-N 3.25Å; Q255-K259 WeakPolarHBondContact O-CB 3.43Å; Q255-K259 WeakPolarHBondContact O-CD 3.46Å; Q255-K259 WeakPolarHBondContact O-CG 3.47Å; Q255-K259 PolarHBondContact O-N 2.99Å
256R90.9Very high84.6Confident146 Ų146114.4 Ų114.455%0.55155%0.546SS*.Hα-helixtrans-62.8-44.4177-150.2-163.9-39.7-93.4-2.6111.1S252 D253 K259 A260S252-R256 PolarHBondContact O-N 2.91Å; D253-R256 CarbonylContact O-C 3.58Å; D253-R256 WeakPolarHBondContact O-CA 3.42Å; D253-R256 VanDerWaalsContact O-CB 3.32Å; D253-R256 WeakPolarHBondContact O-CB 3.44Å; D253-R256 PolarHBondContact O-N 2.91Å; D253-R256 IonicContact OD1-CZ 3.15Å; D253-R256 IonicContact OD1-NE 2.69Å; D253-R256 PolarHBondContact OD1-NE 3.41Å; D253-R256 IonicContact OD1-NH2 2.74Å; D253-R256 PolarHBondContact OD1-NH2 3.04Å; R256-K259 PolarHBondContact O-N 2.84Å; R256-A260 VanDerWaalsContact O-CB 3.28Å; R256-A260 WeakPolarHBondContact O-CB 3.17Å; R256-A260 PolarHBondContact O-N 3.19Å
257M90Very high86.3Confident116 Ų116108.7 Ų108.757%0.57153%0.53SS*.Hα-helixtrans-63.7-43174.9-72.3-173.768.200112D253 V254 A260 R261D253-M257 WeakPolarHBondContact O-CG 3.32Å; D253-M257 PolarHBondContact O-N 2.96Å; V254-M257 PolarHBondContact O-N 3.09Å; M257-A260 PolarHBondContact O-N 2.84Å; M257-R261 WeakPolarHBondContact O-CB 3.49Å; M257-R261 PolarHBondContact O-N 3.11Å
258L92.4Very high88.1Confident121 Ų121111.2 Ų111.263%0.63453%0.531SS*.Hα-helixtrans-62.4-45.7176.2-170.871.6000111.4V254 Q255 R261 R262V254-L258 WeakPolarHBondContact O-CB 3.45Å; V254-L258 PolarHBondContact O-N 3.27Å; Q255-L258 PolarHBondContact O-N 3.25Å; L258-R261 PolarHBondContact O-N 3.42Å; L258-R262 WeakPolarHBondContact O-CB 3.4Å; L258-R262 PolarHBondContact O-N 2.92Å
259K94.4Very high89.9Confident131 Ų131110.3 Ų110.357%0.5752%0.524SS*.Hα-helixtrans-61.3-43.8174.6-71.3162.9-173.2163.80111.1Q255 R256 R262 L263Q255-K259 WeakPolarHBondContact O-CB 3.43Å; Q255-K259 WeakPolarHBondContact O-CD 3.46Å; Q255-K259 WeakPolarHBondContact O-CG 3.47Å; Q255-K259 PolarHBondContact O-N 2.99Å; R256-K259 PolarHBondContact O-N 2.84Å; K259-R262 PolarHBondContact O-N 3Å; K259-L263 WeakPolarHBondContact O-CB 3.42Å; K259-L263 PolarHBondContact O-N 2.91Å
260A94Very high91Very high54 Ų54110.6 Ų110.645%0.44652%0.522SS..Hα-helixtrans-66.4-37.4177.300000113.3R256 M257 R264R256-A260 VanDerWaalsContact O-CB 3.28Å; R256-A260 WeakPolarHBondContact O-CB 3.17Å; R256-A260 PolarHBondContact O-N 3.19Å; M257-A260 PolarHBondContact O-N 2.84Å; A260-R264 WeakPolarHBondContact O-CB 3.28Å; A260-R264 PolarHBondContact O-N 2.92Å
261R94.8Very high91.4Very high181 Ų181114.6 Ų114.668%0.68353%0.531SS*.Hα-helixtrans-64-48.2172.6-178.4175.8174171.9-2.3110.8M257 L258 L263 R264 E265M257-R261 WeakPolarHBondContact O-CB 3.49Å; M257-R261 PolarHBondContact O-N 3.11Å; L258-R261 PolarHBondContact O-N 3.42Å; R261-L263 VanDerWaalsContact C-N 3.34Å; R261-L263 PolarHBondContact O-N 3.42Å; R261-R264 PolarHBondContact O-N 3.38Å; R261-E265 WeakPolarHBondContact O-CB 3.47Å; R261-E265 PolarHBondContact O-N 2.61Å
262R95.4Very high91.5Very high188 Ų188113 Ų11371%0.70952%0.522SS*.Hα-helixtrans-60.6-40.1176.7-171.1172.7-179.1165.5-0.1112.1L258 K259 E265 L266L258-R262 WeakPolarHBondContact O-CB 3.4Å; L258-R262 PolarHBondContact O-N 2.92Å; K259-R262 PolarHBondContact O-N 3Å; R262-E265 WeakPolarHBondContact O-CB 3.21Å; R262-E265 PolarHBondContact O-N 3.19Å; R262-L266 HydrophobicContact CG-CD1 4.46Å; R262-L266 WeakPolarHBondContact O-CG 3.49Å; R262-L266 PolarHBondContact O-N 2.95Å
263L95.1Very high91.8Very high101 Ų101115.5 Ų115.553%0.52953%0.526SS..Hα-helixtrans-64.7-43.8173.7179.860.5000112.1K259 R261 E265 L266 L267K259-L263 WeakPolarHBondContact O-CB 3.42Å; K259-L263 PolarHBondContact O-N 2.91Å; R261-L263 VanDerWaalsContact C-N 3.34Å; R261-L263 PolarHBondContact O-N 3.42Å; L263-E265 VanDerWaalsContact C-N 3.29Å; L263-E265 PolarHBondContact O-N 3.27Å; L263-L266 PolarHBondContact O-N 2.88Å; L263-L267 HydrophobicContact CD1-CD1 4.09Å; L263-L267 HydrophobicContact CD1-CG 4.21Å; L263-L267 HydrophobicContact CG-CD1 4.01Å; L263-L267 WeakPolarHBondContact O-CB 3.21Å; L263-L267 WeakPolarHBondContact O-CG 3.44Å; L263-L267 PolarHBondContact O-N 2.81Å
264R94.1Very high91.7Very high196 Ų196120.1 Ų120.174%0.7455%0.546SS*.Hα-helixtrans-63.2-34.7176.1-172.2-178.9-67.4-171-0.3112.3A260 R261 R268A260-R264 WeakPolarHBondContact O-CB 3.28Å; A260-R264 PolarHBondContact O-N 2.92Å; R261-R264 PolarHBondContact O-N 3.38Å; R264-R268 WeakPolarHBondContact O-CB 3.48Å; R264-R268 PolarHBondContact O-N 2.93Å; R264-R268 VanDerWaalsContact O-N 3.15Å
265E94.9Very high91.6Very high87 Ų87120.2 Ų120.241%0.40755%0.547SS..Hα-helixtrans-65.3-49.6172.8-162.499-113.100111R261 R262 L263 L267 R268 Q269R261-E265 WeakPolarHBondContact O-CB 3.47Å; R261-E265 PolarHBondContact O-N 2.61Å; R262-E265 WeakPolarHBondContact O-CB 3.21Å; R262-E265 PolarHBondContact O-N 3.19Å; L263-E265 VanDerWaalsContact C-N 3.29Å; L263-E265 PolarHBondContact O-N 3.27Å; E265-L267 PolarHBondContact O-N 3.29Å; E265-R268 CarbonylContact O-C 3.58Å; E265-R268 WeakPolarHBondContact O-CA 3.2Å; E265-R268 WeakPolarHBondContact O-CB 2.7Å; E265-R268 PolarHBondContact O-N 3.43Å; E265-Q269 WeakPolarHBondContact O-CG 3.34Å; E265-Q269 PolarHBondContact O-N 2.98Å
266L96.4Very high91.4Very high92 Ų92119.6 Ų119.648%0.48254%0.544SS..Hα-helixtrans-60.3-46.4177.5-71.7167.7000112R262 L263 R268 Q269 E270R262-L266 HydrophobicContact CG-CD1 4.46Å; R262-L266 WeakPolarHBondContact O-CG 3.49Å; R262-L266 PolarHBondContact O-N 2.95Å; L263-L266 PolarHBondContact O-N 2.88Å; L266-R268 PolarHBondContact O-N 2.9Å; L266-Q269 PolarHBondContact O-N 3.39Å; L266-Q269 VanDerWaalsContact O-N 3.12Å; L266-E270 WeakPolarHBondContact O-CB 3.35Å; L266-E270 PolarHBondContact O-N 3.19Å
267L94.4Very high90.8Very high79 Ų79117 Ų11741%0.41454%0.541SS..Hα-helixtrans-67.6-13.9175.4-67.6171000113.8L263 E265 R271L263-L267 HydrophobicContact CD1-CD1 4.09Å; L263-L267 HydrophobicContact CD1-CG 4.21Å; L263-L267 HydrophobicContact CG-CD1 4.01Å; L263-L267 WeakPolarHBondContact O-CB 3.21Å; L263-L267 WeakPolarHBondContact O-CG 3.44Å; L263-L267 PolarHBondContact O-N 2.81Å; E265-L267 PolarHBondContact O-N 3.29Å; L267-R271 PolarHBondContact O-NE 3.41Å
268R93.2Very high90.4Very high174 Ų174116.3 Ų116.366%0.65754%0.539SS*.Hα-helixtrans-87.9-41.1169.3172.5178.9152.9178-9.2110.6R264 E265 L266 S272R264-R268 WeakPolarHBondContact O-CB 3.48Å; R264-R268 PolarHBondContact O-N 2.93Å; R264-R268 VanDerWaalsContact O-N 3.15Å; E265-R268 CarbonylContact O-C 3.58Å; E265-R268 WeakPolarHBondContact O-CA 3.2Å; E265-R268 WeakPolarHBondContact O-CB 2.7Å; E265-R268 PolarHBondContact O-N 3.43Å; L266-R268 PolarHBondContact O-N 2.9Å; R268-S272 PolarHBondContact O-N 2.83Å; R268-S272 PolarHBondContact O-OG 2.87Å
269Q93.2Very high89.8Confident87 Ų87117.6 Ų117.641%0.40754%0.54SS..Hα-helixtrans-60.9-46172.7-70.2-17512.500111.3E265 L266 R271 S272 K273E265-Q269 WeakPolarHBondContact O-CG 3.34Å; E265-Q269 PolarHBondContact O-N 2.98Å; L266-Q269 PolarHBondContact O-N 3.39Å; L266-Q269 VanDerWaalsContact O-N 3.12Å; Q269-R271 PolarHBondContact O-N 3.38Å; Q269-S272 WeakPolarHBondContact CA-OG 3.4Å; Q269-S272 CarbonylContact O-C 3.46Å; Q269-S272 PolarHBondContact O-N 2.96Å; Q269-S272 VanDerWaalsContact O-N 3.12Å; Q269-S272 PolarHBondContact O-OG 3.37Å; Q269-K273 WeakPolarHBondContact O-CG 3.42Å; Q269-K273 PolarHBondContact O-N 2.64Å
270E90.7Very high88.8Confident123 Ų123118.3 Ų118.358%0.57554%0.539SS*.Hα-helixtrans-57.7-51178.4-173.4173.5-141.800111.9L266 S272 K273 E274L266-E270 WeakPolarHBondContact O-CB 3.35Å; L266-E270 PolarHBondContact O-N 3.19Å; E270-S272 VanDerWaalsContact C-N 3.3Å; E270-S272 PolarHBondContact O-N 2.95Å; E270-K273 CarbonylContact O-C 3.5Å; E270-K273 WeakPolarHBondContact O-CB 3.47Å; E270-K273 PolarHBondContact O-N 2.82Å; E270-E274 PolarHBondContact O-N 3.26Å
271R86.5Confident87.8Confident155 Ų155118.2 Ų118.259%0.58554%0.538SS*.Hα-helixtrans-63.5-31174.5-73.5-177.8-68.4161.8-1.7113.5L267 Q269 T275L267-R271 PolarHBondContact O-NE 3.41Å; Q269-R271 PolarHBondContact O-N 3.38Å; R271-T275 WeakPolarHBondContact O-CB 3.41Å; R271-T275 WeakPolarHBondContact O-CG2 3.47Å; R271-T275 PolarHBondContact O-N 3.42Å; R271-T275 PolarHBondContact O-OG1 3.3Å
272S84Confident86.7Confident62 Ų62116.1 Ų116.143%0.43453%0.534SS..Hα-helixtrans-69.8-36.5171.371.20000112.6R268 Q269 E270 T275 Q276R268-S272 PolarHBondContact O-N 2.83Å; R268-S272 PolarHBondContact O-OG 2.87Å; Q269-S272 WeakPolarHBondContact CA-OG 3.4Å; Q269-S272 CarbonylContact O-C 3.46Å; Q269-S272 PolarHBondContact O-N 2.96Å; Q269-S272 VanDerWaalsContact O-N 3.12Å; Q269-S272 PolarHBondContact O-OG 3.37Å; E270-S272 VanDerWaalsContact C-N 3.3Å; E270-S272 PolarHBondContact O-N 2.95Å; S272-T275 WeakPolarHBondContact CA-OG1 3.44Å; S272-T275 PolarHBondContact O-OG1 3.25Å; S272-Q276 WeakPolarHBondContact O-CB 3.37Å; S272-Q276 PolarHBondContact O-N 2.79Å
273K91Very high85.2Confident116 Ų116110.9 Ų110.950%0.50452%0.523SS..Hα-helixtrans-69-44.1174.5-72.1170179.2177.30111.1Q269 E270 Q276 N277Q269-K273 WeakPolarHBondContact O-CG 3.42Å; Q269-K273 PolarHBondContact O-N 2.64Å; E270-K273 CarbonylContact O-C 3.5Å; E270-K273 WeakPolarHBondContact O-CB 3.47Å; E270-K273 PolarHBondContact O-N 2.82Å; K273-Q276 PolarHBondContact O-N 2.67Å; K273-N277 VanDerWaalsContact O-CB 3.24Å; K273-N277 WeakPolarHBondContact O-CB 3.39Å; K273-N277 PolarHBondContact O-N 2.87Å; K273-N277 PolarHBondContact O-ND2 2.89Å
274E83.2Confident83.5Confident130 Ų130115.5 Ų115.561%0.60753%0.533SS*.Hα-helixtrans-58.9-50173.9-174.9-176.2-155.200111.4E270 Q276 N277 L278E270-E274 PolarHBondContact O-N 3.26Å; E274-Q276 PolarHBondContact O-N 2.71Å; E274-N277 PolarHBondContact O-N 3.24Å; E274-L278 WeakPolarHBondContact O-CB 3.02Å; E274-L278 PolarHBondContact O-N 3.04Å
275T84.3Confident81.9Confident77 Ų77113.4 Ų113.447%0.47253%0.525SS..Hα-helixtrans-68.9-31.5178.252.20000113.3R271 S272 K279R271-T275 WeakPolarHBondContact O-CB 3.41Å; R271-T275 WeakPolarHBondContact O-CG2 3.47Å; R271-T275 PolarHBondContact O-N 3.42Å; R271-T275 PolarHBondContact O-OG1 3.3Å; S272-T275 WeakPolarHBondContact CA-OG1 3.44Å; S272-T275 PolarHBondContact O-OG1 3.25Å; T275-K279 VanDerWaalsContact O-CG 3.3Å; T275-K279 WeakPolarHBondContact O-CG 3.42Å; T275-K279 PolarHBondContact O-N 3.24Å
276Q85.4Confident80.3Confident96 Ų96115.3 Ų115.345%0.44953%0.532SS..Hα-helixtrans-69.5-40171.3-172.4-179.532.300111.8S272 K273 E274 K279 R280S272-Q276 WeakPolarHBondContact O-CB 3.37Å; S272-Q276 PolarHBondContact O-N 2.79Å; K273-Q276 PolarHBondContact O-N 2.67Å; E274-Q276 PolarHBondContact O-N 2.71Å; Q276-K279 PolarHBondContact O-N 3.02Å; Q276-R280 WeakPolarHBondContact O-CB 3.27Å; Q276-R280 WeakPolarHBondContact O-CG 3.43Å; Q276-R280 PolarHBondContact O-N 3.49Å
277N79.9Confident78.8Confident91 Ų91115.5 Ų115.549%0.48753%0.534SS..Hα-helixtrans-67.7-40.4176-73.2-16.5000111.2K273 E274 K279 R280 A281K273-N277 VanDerWaalsContact O-CB 3.24Å; K273-N277 WeakPolarHBondContact O-CB 3.39Å; K273-N277 PolarHBondContact O-N 2.87Å; K273-N277 PolarHBondContact O-ND2 2.89Å; E274-N277 PolarHBondContact O-N 3.24Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 2.98Å; N277-R280 PolarHBondContact O-N 3.42Å; N277-A281 VanDerWaalsContact O-CB 3.26Å; N277-A281 WeakPolarHBondContact O-CB 3.46Å; N277-A281 PolarHBondContact O-N 2.98Å
278L80.6Confident77.6Confident102 Ų102114.2 Ų114.253%0.53453%0.525SS..Hα-helixtrans-64.1-36.4173.2-176.562.1000112E274 K282E274-L278 WeakPolarHBondContact O-CB 3.02Å; E274-L278 PolarHBondContact O-N 3.04Å; L278-K282 WeakPolarHBondContact O-CG 3.29Å; L278-K282 PolarHBondContact O-N 3.49Å; L278-K282 VanDerWaalsContact O-N 3.15Å
279K79.7Confident76.7Confident148 Ų148109.3 Ų109.364%0.64351%0.514SS*.Hα-helixtrans-64.3-52.6170.4-76.7174.9178-172.80111.3T275 Q276 N277 A281 K282 T283T275-K279 VanDerWaalsContact O-CG 3.3Å; T275-K279 WeakPolarHBondContact O-CG 3.42Å; T275-K279 PolarHBondContact O-N 3.24Å; Q276-K279 PolarHBondContact O-N 3.02Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 2.98Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 2.91Å; K279-K282 WeakPolarHBondContact O-CA 3.36Å; K279-K282 WeakPolarHBondContact O-CB 3.45Å; K279-K282 PolarHBondContact O-N 3.16Å; K279-T283 PolarHBondContact O-N 3.16Å; K279-T283 PolarHBondContact O-OG1 3.01Å
280R74.7Confident75.6Confident145 Ų145111.3 Ų111.355%0.54753%0.527SS..Hα-helixtrans-57.6-37.6177.5-76173165.6176.6-6.8112.9Q276 N277 K282 T283 R284Q276-R280 WeakPolarHBondContact O-CB 3.27Å; Q276-R280 WeakPolarHBondContact O-CG 3.43Å; Q276-R280 PolarHBondContact O-N 3.49Å; N277-R280 PolarHBondContact O-N 3.42Å; R280-K282 VanDerWaalsContact C-N 3.33Å; R280-T283 PolarHBondContact O-N 3.46Å; R280-R284 WeakPolarHBondContact O-CB 3.42Å; R280-R284 WeakPolarHBondContact O-CG 3.39Å; R280-R284 PolarHBondContact O-N 3.27Å
281A72.8Confident75.2Confident52 Ų52108 Ų10843%0.4351%0.514SS..Hα-helixtrans-70.7-26175.500000113.2N277 K279N277-A281 VanDerWaalsContact O-CB 3.26Å; N277-A281 WeakPolarHBondContact O-CB 3.46Å; N277-A281 PolarHBondContact O-N 2.98Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 2.91Å
282K70.4Confident74.8Confident138 Ų138106.1 Ų106.160%0.652%0.521SS*.Hα-helixtrans-79.3-36.4170.7-73.8179.3177.4-165.20112.4L278 K279 R280 R285L278-K282 WeakPolarHBondContact O-CG 3.29Å; L278-K282 PolarHBondContact O-N 3.49Å; L278-K282 VanDerWaalsContact O-N 3.15Å; K279-K282 WeakPolarHBondContact O-CA 3.36Å; K279-K282 WeakPolarHBondContact O-CB 3.45Å; K279-K282 PolarHBondContact O-N 3.16Å; R280-K282 VanDerWaalsContact C-N 3.33Å; K282-R285 WeakPolarHBondContact O-CB 3.3Å; K282-R285 PolarHBondContact O-N 3Å
283T65.4Low74.8Confident78 Ų78108.9 Ų108.948%0.47954%0.535SS..Hα-helixtrans-62.8-47.5171.9-48.20000110.5K279 R280 R285 K286 D287K279-T283 PolarHBondContact O-N 3.16Å; K279-T283 PolarHBondContact O-OG1 3.01Å; R280-T283 PolarHBondContact O-N 3.46Å; T283-R285 PolarHBondContact O-N 3.49Å; T283-K286 PolarHBondContact O-N 3.27Å; T283-D287 VanDerWaalsContact C-OD2 3.24Å; T283-D287 VanDerWaalsContact O-CG 3.25Å; T283-D287 PolarHBondContact O-N 3.43Å; T283-D287 VanDerWaalsContact O-N 3.16Å
284R59.6Low74.5Confident198 Ų198109.6 Ų109.675%0.74754%0.538SS*.THydrogen-bonded Turntrans-65.36.8172.1-71.1178.1173.4-112.83.6115.6R280 D287R280-R284 WeakPolarHBondContact O-CB 3.42Å; R280-R284 WeakPolarHBondContact O-CG 3.39Å; R280-R284 PolarHBondContact O-N 3.27Å; R284-D287 WeakPolarHBondContact CA-OD2 3.36Å; R284-D287 PolarHBondContact N-OD2 2.94Å
285R60.7Low74.5Confident152 Ų152104.9 Ų104.957%0.57452%0.517SS*.THydrogen-bonded Turntrans-1068.3166.1-81.2-176.1168.1-154.2-5.1112.8K282 T283 F288 H302K282-R285 WeakPolarHBondContact O-CB 3.3Å; K282-R285 PolarHBondContact O-N 3Å; T283-R285 PolarHBondContact O-N 3.49Å; R285-F288 WeakPolarHBondContact O-CZ 3.12Å; R285-H302 PolarHBondContact NE-CD2 2.72Å; R285-H302 PolarHBondContact NE-NE2 3.38Å; R285-H302 PolarHBondContact NH2-NE2 2.99Å
286K60.3Low74.6Confident127 Ų127104.7 Ų104.755%0.55252%0.516SS*.THydrogen-bonded Turntrans-123.5-29.4171.7-71.8178.9163.4-80.90111.1T283 F288 E315T283-K286 PolarHBondContact O-N 3.27Å; K286-F288 WeakPolarHBondContact O-CD2 3.45Å; K286-F288 PolarHBondContact O-N 3.42Å; K286-E315 IonicContact NZ-OE1 3.17Å; K286-E315 PolarHBondContact NZ-OE1 3.23Å
287D64.3Low74.6Confident96 Ų96106.7 Ų106.751%0.51353%0.527SS..  trans-72.184.5175.7-44.8-34.8000111.2T283 R284T283-D287 VanDerWaalsContact C-OD2 3.24Å; T283-D287 VanDerWaalsContact O-CG 3.25Å; T283-D287 PolarHBondContact O-N 3.43Å; T283-D287 VanDerWaalsContact O-N 3.16Å; R284-D287 WeakPolarHBondContact CA-OD2 3.36Å; R284-D287 PolarHBondContact N-OD2 2.94Å
288F70.6Confident74.7Confident52 Ų52111.1 Ų111.123%0.22854%0.537CS..  trans-102.6133.4178.9-60.9-59.3000113R285 K286 L290 M295 D299 H302 Y303R285-F288 WeakPolarHBondContact O-CZ 3.12Å; K286-F288 WeakPolarHBondContact O-CD2 3.45Å; K286-F288 PolarHBondContact O-N 3.42Å; F288-L290 PolarHBondContact O-N 3.31Å; F288-M295 HydrophobicContact CB-CE 4.15Å; F288-D299 HydrophobicContact CD1-CB 4.49Å; F288-H302 HydrophobicContact CE1-CB 3.65Å; F288-H302 VanDerWaalsContact CZ-C 3.46Å; F288-H302 HydrophobicContact CZ-CB 3.82Å; F288-H302 WeakPolarHBondContact CZ-O 3.47Å; F288-Y303 HydrophobicContact CB-CD2 4.11Å; F288-Y303 AromaticContact CD2-CD2 3.9Å; F288-Y303 HydrophobicContact CD2-CD2 3.9Å; F288-Y303 AromaticContact CG-CD2 3.97Å; F288-Y303 HydrophobicContact CG-CD2 3.97Å
289T73.6Confident74.8Confident70 Ų70107.6 Ų107.643%0.42952%0.518SS..  trans-78.1108.6171-57.50000109.7D291 K294 M295T289-D291 HydrophobicContact CG2-CB 4.13Å; T289-D291 PolarHBondContact O-N 3.02Å; T289-K294 HydrophobicContact CG2-CB 3.99Å; T289-M295 WeakPolarHBondContact O-CE 3.48Å; T289-M295 WeakPolarHBondContact O-CG 3.41Å
290L70.6Confident74.9Confident130 Ų130105.3 Ų105.368%0.68151%0.513SS*.  trans-763.4-175.1-58.9179000114.9F288 P292 Y303F288-L290 PolarHBondContact O-N 3.31Å; L290-P292 WeakPolarHBondContact O-CD 3.32Å; L290-Y303 HydrophobicContact CD2-CE2 3.7Å
291D81.3Confident75.3Confident54 Ų54104.2 Ų104.229%0.28952%0.516SS..  trans-87.1114.6177.1179.7-20.3000110.3T289 T293 K294 M295T289-D291 HydrophobicContact CG2-CB 4.13Å; T289-D291 PolarHBondContact O-N 3.02Å; D291-T293 PolarHBondContact O-N 3.46Å; D291-T293 VanDerWaalsContact O-N 3.14Å; D291-T293 WeakPolarHBondContact OD1-CB 3.44Å; D291-T293 PolarHBondContact OD1-N 3.16Å; D291-T293 PolarHBondContact OD1-OG1 2.99Å; D291-T293 PolarHBondContact OD2-OG1 2.83Å; D291-K294 HydrophobicContact CB-CB 4.27Å; D291-K294 HydrophobicContact CB-CG 4.48Å; D291-K294 PolarHBondContact O-N 3.35Å; D291-K294 WeakPolarHBondContact OD2-CD 3.38Å; D291-K294 IonicContact OD2-NZ 2.76Å; D291-K294 PolarHBondContact OD2-NZ 3.36Å; D291-M295 PolarHBondContact O-N 3.33Å
292P77.6Confident75.6Confident115 Ų115104.3 Ų104.375%0.74751%0.508SS*.THydrogen-bonded Turntrans-60.4-24.6-178.2-24.235.1000114.2L290 K294L290-P292 WeakPolarHBondContact O-CD 3.32Å; P292-K294 VanDerWaalsContact C-N 3.3Å
293T85.4Confident76Confident119 Ų119102.1 Ų102.173%0.7350%0.496SS*.THydrogen-bonded Turntrans-79-14.6178.569.30000113.1D291D291-T293 PolarHBondContact O-N 3.46Å; D291-T293 VanDerWaalsContact O-N 3.14Å; D291-T293 WeakPolarHBondContact OD1-CB 3.44Å; D291-T293 PolarHBondContact OD1-N 3.16Å; D291-T293 PolarHBondContact OD1-OG1 2.99Å; D291-T293 PolarHBondContact OD2-OG1 2.83Å
294K84.1Confident76.5Confident131 Ų131102.8 Ų102.857%0.5750%0.496SS*.THydrogen-bonded Turntrans-118.9-7.5-176.7-59.4-179.3-175.765.40113.4T289 D291 P292 T296T289-K294 HydrophobicContact CG2-CB 3.99Å; D291-K294 HydrophobicContact CB-CB 4.27Å; D291-K294 HydrophobicContact CB-CG 4.48Å; D291-K294 PolarHBondContact O-N 3.35Å; D291-K294 WeakPolarHBondContact OD2-CD 3.38Å; D291-K294 IonicContact OD2-NZ 2.76Å; D291-K294 PolarHBondContact OD2-NZ 3.36Å; P292-K294 VanDerWaalsContact C-N 3.3Å; K294-T296 PolarHBondContact O-N 2.81Å
295M84.1Confident77.3Confident32 Ų3295.8 Ų95.816%0.15848%0.477CS..  trans-57.1119.9170.2-100.3-88.1161.100111.2F288 T289 D291 D299 L300 Y303F288-M295 HydrophobicContact CB-CE 4.15Å; T289-M295 WeakPolarHBondContact O-CE 3.48Å; T289-M295 WeakPolarHBondContact O-CG 3.41Å; D291-M295 PolarHBondContact O-N 3.33Å; M295-D299 HydrophobicContact CE-CB 3.9Å; M295-D299 HydrophobicContact SD-CB 3.49Å; M295-D299 WeakPolarHBondContact SD-CB 3.24Å; M295-L300 HydrophobicContact CB-CD2 4.29Å; M295-L300 HydrophobicContact CB-CG 4.38Å; M295-L300 HydrophobicContact CG-CD2 4.27Å; M295-L300 HydrophobicContact SD-CD2 3.7Å; M295-L300 HydrophobicContact SD-CG 3.93Å; M295-Y303 HydrophobicContact CE-CD2 4.23Å; M295-Y303 HydrophobicContact CE-CG 4.11Å
296T86.4Confident77.7Confident72 Ų7295.9 Ų95.944%0.44249%0.494SS..  trans-86160.3171.578.90000110.8K294 R298 D299 L300K294-T296 PolarHBondContact O-N 2.81Å; T296-R298 PolarHBondContact O-N 3.22Å; T296-R298 WeakPolarHBondContact OG1-CB 3.35Å; T296-R298 PolarHBondContact OG1-N 3.15Å; T296-D299 WeakPolarHBondContact CA-OD2 3.18Å; T296-D299 VanDerWaalsContact CB-OD2 3.26Å; T296-D299 WeakPolarHBondContact CB-OD2 3.48Å; T296-D299 WeakPolarHBondContact CG2-OD2 3.2Å; T296-D299 PolarHBondContact N-OD2 3.12Å; T296-D299 PolarHBondContact O-N 3.06Å; T296-D299 VanDerWaalsContact OG1-CG 3.24Å; T296-D299 PolarHBondContact OG1-OD2 3.49Å; T296-L300 PolarHBondContact O-N 2.9Å; T296-L300 VanDerWaalsContact O-N 3.13Å
297M85.3Confident78.4Confident139 Ų13994.7 Ų94.769%0.68550%0.502SS*.Hα-helixtrans-53.8-24.8171.7-76.1-61.2-60.800113.6L300 I301M297-L300 HydrophobicContact SD-CD1 4.08Å; M297-I301 VanDerWaalsContact O-CD1 3.22Å; M297-I301 WeakPolarHBondContact O-CD1 3.46Å; M297-I301 WeakPolarHBondContact O-CG1 3.34Å; M297-I301 PolarHBondContact O-N 2.84Å
298R81.4Confident79Confident183 Ų18392.5 Ų92.569%0.69149%0.491SS*.Hα-helixtrans-69.9-38.4173.8170.8177.1-66.6168.22.5111.8T296 I301 H302T296-R298 PolarHBondContact O-N 3.22Å; T296-R298 WeakPolarHBondContact OG1-CB 3.35Å; T296-R298 PolarHBondContact OG1-N 3.15Å; R298-I301 PolarHBondContact O-N 2.99Å; R298-H302 PolarHBondContact O-ND1 2.93Å
299D83.5Confident79.1Confident29 Ų2996.2 Ų96.216%0.15552%0.52CS..Hα-helixtrans-77.8-42.6-172-48-44.7000108.8F288 M295 T296 I301 H302 Y303F288-D299 HydrophobicContact CD1-CB 4.49Å; M295-D299 HydrophobicContact CE-CB 3.9Å; M295-D299 HydrophobicContact SD-CB 3.49Å; M295-D299 WeakPolarHBondContact SD-CB 3.24Å; T296-D299 WeakPolarHBondContact CA-OD2 3.18Å; T296-D299 VanDerWaalsContact CB-OD2 3.26Å; T296-D299 WeakPolarHBondContact CB-OD2 3.48Å; T296-D299 WeakPolarHBondContact CG2-OD2 3.2Å; T296-D299 PolarHBondContact N-OD2 3.12Å; T296-D299 PolarHBondContact O-N 3.06Å; T296-D299 VanDerWaalsContact OG1-CG 3.24Å; T296-D299 PolarHBondContact OG1-OD2 3.49Å; D299-I301 PolarHBondContact O-N 2.56Å; D299-H302 PolarHBondContact O-N 2.8Å; D299-Y303 VanDerWaalsContact O-CB 3.31Å; D299-Y303 WeakPolarHBondContact O-CB 3.3Å; D299-Y303 PolarHBondContact O-N 2.9Å
300L81.9Confident78.6Confident99 Ų99100 Ų10052%0.51854%0.535SS..Hα-helixtrans-54.7-34.1169.8-65.6173.1000113.7M295 T296 M297 H302M295-L300 HydrophobicContact CB-CD2 4.29Å; M295-L300 HydrophobicContact CB-CG 4.38Å; M295-L300 HydrophobicContact CG-CD2 4.27Å; M295-L300 HydrophobicContact SD-CD2 3.7Å; M295-L300 HydrophobicContact SD-CG 3.93Å; T296-L300 PolarHBondContact O-N 2.9Å; T296-L300 VanDerWaalsContact O-N 3.13Å; M297-L300 HydrophobicContact SD-CD1 4.08Å; L300-H302 VanDerWaalsContact C-N 3.29Å; L300-H302 PolarHBondContact O-N 2.85Å
301I82.6Confident78.2Confident122 Ų122103.9 Ų103.963%0.62654%0.54SS*.THydrogen-bonded Turntrans-72.5-20.1177.9-75.4168.5000113M297 R298 D299M297-I301 VanDerWaalsContact O-CD1 3.22Å; M297-I301 WeakPolarHBondContact O-CD1 3.46Å; M297-I301 WeakPolarHBondContact O-CG1 3.34Å; M297-I301 PolarHBondContact O-N 2.84Å; R298-I301 PolarHBondContact O-N 2.99Å; D299-I301 PolarHBondContact O-N 2.56Å
302H78.4Confident77.2Confident54 Ų54103.8 Ų103.825%0.2554%0.544CS..THydrogen-bonded Turntrans-117-17.2-174.8-65.492.1000113.7R285 F288 R298 D299 L300 L304R285-H302 PolarHBondContact NE-CD2 2.72Å; R285-H302 PolarHBondContact NE-NE2 3.38Å; R285-H302 PolarHBondContact NH2-NE2 2.99Å; F288-H302 HydrophobicContact CE1-CB 3.65Å; F288-H302 VanDerWaalsContact CZ-C 3.46Å; F288-H302 HydrophobicContact CZ-CB 3.82Å; F288-H302 WeakPolarHBondContact CZ-O 3.47Å; R298-H302 PolarHBondContact O-ND1 2.93Å; D299-H302 PolarHBondContact O-N 2.8Å; L300-H302 VanDerWaalsContact C-N 3.29Å; L300-H302 PolarHBondContact O-N 2.85Å; H302-L304 PolarHBondContact O-N 2.94Å
303Y79.5Confident76.2Confident92 Ų92103.3 Ų103.336%0.36154%0.543SS..  trans-69.2113.3179.2179.4-113000111.1F288 L290 M295 D299 P305F288-Y303 HydrophobicContact CB-CD2 4.11Å; F288-Y303 AromaticContact CD2-CD2 3.9Å; F288-Y303 HydrophobicContact CD2-CD2 3.9Å; F288-Y303 AromaticContact CG-CD2 3.97Å; F288-Y303 HydrophobicContact CG-CD2 3.97Å; L290-Y303 HydrophobicContact CD2-CE2 3.7Å; M295-Y303 HydrophobicContact CE-CD2 4.23Å; M295-Y303 HydrophobicContact CE-CG 4.11Å; D299-Y303 VanDerWaalsContact O-CB 3.31Å; D299-Y303 WeakPolarHBondContact O-CB 3.3Å; D299-Y303 PolarHBondContact O-N 2.9Å; Y303-P305 HydrophobicContact CD1-CG 4.22Å; Y303-P305 HydrophobicContact CE1-CB 4.42Å; Y303-P305 HydrophobicContact CE1-CG 3.78Å
304L75.6Confident74.8Confident92 Ų92103.6 Ų103.648%0.48254%0.539SS..  trans-102.4115.4166.7-91.865.8000108.1H302H302-L304 PolarHBondContact O-N 2.94Å
305P75.6Confident73.3Confident52 Ų52101.2 Ų101.234%0.33853%0.53SS..  trans-59.9146.3170.9-2232.2000111.5Y303 S307 N308Y303-P305 HydrophobicContact CD1-CG 4.22Å; Y303-P305 HydrophobicContact CE1-CB 4.42Å; Y303-P305 HydrophobicContact CE1-CG 3.78Å; P305-S307 PolarHBondContact O-N 3.13Å; P305-N308 WeakPolarHBondContact O-CB 3.49Å; P305-N308 PolarHBondContact O-N 3.5Å
306T69.4Low71.7Confident153 Ų153105.6 Ų105.694%0.93955%0.55SS**THydrogen-bonded Turntrans-64.6-19.6173.247.80000113.2N308T306-N308 VanDerWaalsContact C-N 3.33Å
307S75.1Confident69.7Low103 Ų103109 Ų10972%0.7256%0.561SS**THydrogen-bonded Turntrans-83.11.3172.553.60000114.4P305 P309P305-S307 PolarHBondContact O-N 3.13Å; S307-P309 WeakPolarHBondContact O-CD 3.44Å
308N76Confident67.6Low50 Ų50108 Ų10827%0.26756%0.558SS.*  trans-66.8119.1178.2177.97.2000110.7P305 T306 M310P305-N308 WeakPolarHBondContact O-CB 3.49Å; P305-N308 PolarHBondContact O-N 3.5Å; T306-N308 VanDerWaalsContact C-N 3.33Å; N308-M310 PolarHBondContact ND2-O 2.77Å; N308-M310 PolarHBondContact O-N 3.49Å; N308-M310 PolarHBondContact OD1-N 3.18Å
309P73.4Confident65.8Low129 Ų129106.9 Ų106.984%0.83856%0.561SS**SBendtrans-66.4-19.3179.427.5-35.2000113.2S307 R311S307-P309 WeakPolarHBondContact O-CD 3.44Å; P309-R311 PolarHBondContact O-N 2.95Å
310M63.4Low63.9Low151 Ų151111.7 Ų111.774%0.74458%0.582SS**SBendtrans-95.285.5170.3-64.1-152.7-56.600111.1N308N308-M310 PolarHBondContact ND2-O 2.77Å; N308-M310 PolarHBondContact O-N 3.49Å; N308-M310 PolarHBondContact OD1-N 3.18Å
311R62.5Low62.2Low211 Ų211113 Ų11380%0.79659%0.59SS**  trans-58.9139.8170.3-70.2-177.3172.3-168.7-4.8110.8P309P309-R311 PolarHBondContact O-N 2.95Å
312S60.7Low60.3Low52 Ų52115.9 Ų115.936%0.36460%0.601SS.*  trans-84.2128.9173.996.80000110.1L314S312-L314 PolarHBondContact O-N 3.04Å
313S55.7Low58.1Low104 Ų104119.6 Ų119.673%0.72763%0.627SS**THydrogen-bonded Turntrans-73.930.3-173.565.10000114.5
314L55.1Low56.1Low125 Ų125121.6 Ų121.665%0.65465%0.649SS**THydrogen-bonded Turntrans-106.9-15.5-179.8-165.2138000112.4S312 N318S312-L314 PolarHBondContact O-N 3.04Å; L314-N318 PolarHBondContact O-ND2 3.46Å
315E54.4Low54.2Low82 Ų82124.4 Ų124.438%0.38366%0.663SS.*SBendtrans-105.7-27.8-172.4-81.7157.1155.800114.7K286 H317 N318K286-E315 IonicContact NZ-OE1 3.17Å; K286-E315 PolarHBondContact NZ-OE1 3.23Å; E315-H317 PolarHBondContact O-N 2.98Å; E315-N318 PolarHBondContact O-N 3.15Å; E315-N318 PolarHBondContact O-ND2 3.08Å
316E49Very low52.3Low124 Ų124127.1 Ų127.158%0.57968%0.681SS**Hα-helixtrans-51.1-35.2175.7-69.3177.8133.700113.3N318E316-N318 PolarHBondContact O-N 3.21Å; E316-N318 VanDerWaalsContact O-N 3.16Å
317H45.6Very low50.9Low144 Ų144125.5 Ų125.567%0.66767%0.673SS**Hα-helixtrans-745.5178.9-80.1-41.7000116.3E315 E320E315-H317 PolarHBondContact O-N 2.98Å; H317-E320 WeakPolarHBondContact CA-OE1 3.37Å; H317-E320 IonicContact CE1-OE1 2.75Å; H317-E320 IonicContact CG-OE1 3.92Å; H317-E320 IonicContact ND1-OE1 2.61Å; H317-E320 PolarHBondContact ND1-OE1 3.42Å
318N40.8Very low48.9Very low116 Ų116125.7 Ų125.762%0.6267%0.674SS**Hα-helixtrans-112.1-24.5177.5-57.2-85.3000113.5L314 E315 E316L314-N318 PolarHBondContact O-ND2 3.46Å; E315-N318 PolarHBondContact O-N 3.15Å; E315-N318 PolarHBondContact O-ND2 3.08Å; E316-N318 PolarHBondContact O-N 3.21Å; E316-N318 VanDerWaalsContact O-N 3.16Å
319E44.4Very low47.3Very low160 Ų160129.4 Ų129.475%0.74870%0.701SS**Hα-helixtrans-93-17.3-172.5-64.2179.3167.300112.7N321E319-N321 PolarHBondContact O-N 3.25Å
320E42.2Very low45.2Very low130 Ų130133.9 Ų133.961%0.60770%0.701SS**THydrogen-bonded Turntrans-69.226.4178.161.4177.4147.500115.4H317H317-E320 WeakPolarHBondContact CA-OE1 3.37Å; H317-E320 IonicContact CE1-OE1 2.75Å; H317-E320 IonicContact CG-OE1 3.92Å; H317-E320 IonicContact ND1-OE1 2.61Å; H317-E320 PolarHBondContact ND1-OE1 3.42Å
321N45.9Very low43.7Very low127 Ų127136.7 Ų136.768%0.67970%0.703SS**THydrogen-bonded Turntrans-131.116-175.8-80.2-101.2000115.3E319E319-N321 PolarHBondContact O-N 3.25Å
322E42.8Very low42.2Very low182 Ų182134.7 Ų134.785%0.8570%0.703SS**  trans-137.572.6175.2-161.9155.9-119.800113.7
323T33.5Very low40.8Very low132 Ų132136.1 Ų136.181%0.8173%0.726SS**  trans-127.2124.4166.1-53.80000110
324V36Very low39.2Very low135 Ų135137.4 Ų137.482%0.81873%0.734SS**  trans-80.9135.5179.8179.10000110.4
325I37.1Very low37.9Very low150 Ų150137.2 Ų137.277%0.76974%0.737SS**  trans-105.5122.5179.7-60.4173.2000109.7
326P34.8Very low36.5Very low110 Ų110138.9 Ų138.971%0.71476%0.757SS**  trans-78.4158.5172.232.4-34.2000112.4
327P41.1Very low35.4Very low119 Ų119141 Ų14177%0.77377%0.771SS**  trans-107.2134.3-158.937.1-31.9000117.4
328S33Very low34.8Very low107 Ų107140.9 Ų140.975%0.74877%0.774SS**  trans68.7165151.8-108.90000117.2
329P42.3Very low34.5Very low128 Ų128143.4 Ų143.483%0.83178%0.784SS**  cis-121.9172.233.538.7-23.2000118.4
330R29.8Very low34.2Very low223 Ų223140.8 Ų140.884%0.84278%0.781SS**  trans-75.8154.7-172.9-49161.1179.6-150.6-0.4113.7
331R32Very low33.6Very low209 Ų209142.7 Ų142.779%0.78980%0.795SS**  -161.3120.8118.2-90.9-161179.2133.27.3107.4
332E30.1Very low32.8Very low170 Ų170140.1 Ų140.179%0.79480%0.799SS**  73.6138.7103.6-69.1152.6-151.400112.7
333G30.3Very low32.2Very low82 Ų82139.6 Ų139.685%0.84580%0.801SS**  trans-159-174-162.800000115.5
334C24.1Very low31.9Very low131 Ų131139.9 Ų139.989%0.88580%0.803SS**  trans-144.6178.6178.6-1560000112.4
335V26.6Very low31.6Very low121 Ų121140.2 Ų140.273%0.73381%0.805SS**  trans-85.1141.2-159.4178.10000113.5
336C25.1Very low31.1Very low117 Ų117136.9 Ų136.979%0.79181%0.807SS**  trans-78.8114.2166-60.40000110.6
337L26.6Very low30.8Very low169 Ų169139.6 Ų139.689%0.88582%0.815SS**  trans-91.6142.4161-71.1176000110.1
338I31.7Very low30.2Very low141 Ų141142 Ų14272%0.72382%0.82SS**  trans-127125.2175.3-56.7169.7000106.5
339M35.1Very low30.1Very low169 Ų169144.8 Ų144.883%0.83382%0.824SS**  trans-148.1163.7150.3-89.4-58.69000110.1
340P37.3Very low29.5Very low105 Ų105147.7 Ų147.768%0.68283%0.826SS**  trans-121.4136.6-156.538.7-25000114.7
341D29.8Very low29.5Very low169 Ų169144.1 Ų144.190%0.90482%0.824SS**  trans-93.2123.2172.7-63.8-42.3000112.4
342G30.1Very low29.4Very low74 Ų74142.1 Ų142.176%0.76383%0.827SS**  trans-134.2116.5158.600000108
343L29.6Very low29.3Very low170 Ų170137 Ų13789%0.8982%0.819SS**  trans-124.5129.9180-100.1164000110.2
344T27.4Very low29.4Very low138 Ų138143.2 Ų143.285%0.84782%0.823SS**  trans-111.9143.9178.3-55.90000109.1
345V30.3Very low29.6Very low143 Ų143143.8 Ų143.887%0.86782%0.818SS**  trans-67.5137.8-176.7-1790000111.6
346G26.8Very low29.8Very low79 Ų79143 Ų14381%0.81481%0.813SS**  trans-154.8106.6167.200000110.6
347L27.6Very low29.9Very low167 Ų167143.6 Ų143.687%0.87481%0.813SS**  trans-117.3128.9175.2-17777.3000108.2
348L29Very low30Very low169 Ų169140.7 Ų140.789%0.88581%0.806SS**  trans-148156.5165.8-121.1174.3000111.9
349M31.3Very low30Very low166 Ų166138.4 Ų138.482%0.81881%0.809SS**  trans-88.8151.8-163.3-158.9148.554.900111.6
350E28.7Very low29.7Very low189 Ų189139.8 Ų139.888%0.88381%0.813SS**  trans-113.2156.7175-101.4-172.8156.900112.6
351N29.5Very low29.7Very low148 Ų148146 Ų14679%0.79182%0.823SS**  trans-132.9120.5-176.7-87.1-38.1000112.5
352I30.7Very low30.6Very low168 Ų168143.1 Ų143.186%0.86281%0.813SS**  trans32105.7141.8-47.9177.7000118.9
353G27.8Very low30.9Very low61 Ų61145 Ų14563%0.62981%0.812SS**  124.9136.2111.600000121.8
354K32.8Very low31.1Very low213 Ų213143.2 Ų143.293%0.92681%0.808SS**  trans75.2142152-60.8173.2-174.6177.30117.1
355N27.3Very low31.9Very low144 Ų144142.1 Ų142.177%0.7780%0.803SS**  cis-167.6176.4-9.6-170.618.6000111.4
356V31.2Very low32Very low105 Ų105143.9 Ų143.964%0.63680%0.802SS**  trans78.8114.8156.7-1210000123.7
357T27.8Very low32.5Very low129 Ų129146.3 Ų146.379%0.79180%0.801SS**  trans61.5150.5142.939.10000122.2
358S28.9Very low32.8Very low107 Ų107143.9 Ų143.975%0.74879%0.793SS**  cis-156.6162-2.8-156.90000111.3
359A31Very low33.5Very low94 Ų94141.4 Ų141.478%0.77779%0.787SS**  trans42.1146.2161.700000120.3
360E29.7Very low34Very low198 Ų198137.7 Ų137.793%0.92578%0.783SS**  cis-140.8-152.128.7-150.3-178.512900112.6
361R36.9Very low35Very low236 Ų236137.7 Ų137.789%0.89178%0.78SS**  trans-108.2179.9-165.4-113.4-156.6172.1179.5-0.8114.4
362P47.4Very low36.7Very low107 Ų107135.8 Ų135.870%0.69578%0.778SS**  trans-97.4-177.9-141.843.5-40.5000114.4
363P37.6Very low38.4Very low113 Ų113134.3 Ų134.373%0.73477%0.771SS**  -148.4160.9101.842.5-28.4000116.9
364V34.3Very low40.6Very low133 Ų133138.7 Ų138.781%0.80678%0.777SS**  trans52.6128.4165.4-156.20000119.8
365P42.7Very low43Very low115 Ų115132.7 Ų132.775%0.74776%0.758SS**  trans-84.2125167.833.4-31.7000112.6
366E32.2Very low45.9Very low181 Ų181129.8 Ų129.885%0.84675%0.747SS**  trans-86.7125.1161.1-172.4172.1-147.400109.5T368E366-T368 PolarHBondContact O-N 3.33Å
367V38.3Very low48.6Very low130 Ų130129.9 Ų129.979%0.78874%0.741SS**  trans-79.385.2-174.7-174.40000109.8P369V367-P369 WeakPolarHBondContact O-CD 3.48Å
368T33.4Very low51.6Low116 Ų116129.8 Ų129.871%0.71274%0.735SS**  trans-61.8120162.853.50000108.6E366 A370E366-T368 PolarHBondContact O-N 3.33Å; T368-A370 PolarHBondContact O-N 3.38Å
369P44.2Very low54.5Low117 Ų117130.9 Ų130.976%0.7673%0.726SS**  trans-66.9112.9176.426.3-32.2000108V367 K371V367-P369 WeakPolarHBondContact O-CD 3.48Å; P369-K371 PolarHBondContact O-N 3.25Å
370A41.8Very low57.5Low87 Ų87130.8 Ų130.872%0.71972%0.715SS**  trans-54.2140.917300000109.1T368 S372T368-A370 PolarHBondContact O-N 3.38Å; A370-S372 PolarHBondContact O-N 2.89Å
371K50.5Low60.2Low190 Ų190122.9 Ų122.983%0.82668%0.684SS**  trans-46.5112.3178.2-76.2175.8175.9172.10109.5P369 L373P369-K371 PolarHBondContact O-N 3.25Å; K371-L373 PolarHBondContact O-N 3.13Å
372S63.4Low62.6Low108 Ų108121.8 Ų121.876%0.75569%0.689SS**  trans-55.1103.6-177.9-470000109.2A370 M374A370-S372 PolarHBondContact O-N 2.89Å; S372-M374 PolarHBondContact O-N 3.42Å
373L67.8Low64.5Low136 Ų136122.8 Ų122.871%0.71269%0.689SS**  trans-69.2123.1-178.4-60.7-178.9000107K371 V375K371-L373 PolarHBondContact O-N 3.13Å; L373-V375 HydrophobicContact CB-CG2 4.11Å; L373-V375 PolarHBondContact O-N 3.28Å
374M73.4Confident66.9Low153 Ų153120 Ų12075%0.75468%0.68SS**SBendtrans-72.776.9-178.4-71.5160.644.300109.9S372 V395S372-M374 PolarHBondContact O-N 3.42Å; M374-V395 HydrophobicContact CB-CG2 4.4Å; M374-V395 HydrophobicContact CE-CG1 3.68Å; M374-V395 HydrophobicContact CE-CG2 4.08Å
375V83.4Confident69.4Low87 Ų87115.7 Ų115.753%0.52766%0.656SS.*SBendtrans-138.3137.1-175.7-178.40000106.5L373 Q377 S392L373-V375 HydrophobicContact CB-CG2 4.11Å; L373-V375 PolarHBondContact O-N 3.28Å; V375-Q377 PolarHBondContact O-N 3.02Å; V375-S392 PolarHBondContact O-OG 3.07Å
376P87.4Confident71.7Confident84 Ų84116.7 Ų116.755%0.54565%0.654SS.*  trans-58132.8176.7-24.834.9000112L393P376-L393 HydrophobicContact CB-CD1 4.32Å; P376-L393 HydrophobicContact CG-CD1 4.24Å
377Q89.6Confident74.4Confident106 Ų106112.4 Ų112.450%0.49564%0.636SS.*  trans-100.6162.4-179.7-67.2175.150.700111.5V375 D389 S392V375-Q377 PolarHBondContact O-N 3.02Å; Q377-D389 HydrophobicContact CB-CB 4.29Å; Q377-D389 PolarHBondContact O-N 3.47Å; Q377-S392 WeakPolarHBondContact CG-OG 3.37Å; Q377-S392 PolarHBondContact N-OG 3.12Å
378L90.5Very high76.8Confident127 Ų127110.7 Ų110.767%0.66562%0.622SS**EExtended strand (participates in β ladder)trans-115.5140.8174.4-60.2-179000109.3I387 I388L378-I387 CarbonylContact C-O 3.59Å; L378-I387 WeakPolarHBondContact CA-O 3.23Å; L378-I388 HydrophobicContact CD2-CB 4.3Å; L378-I388 HydrophobicContact CD2-CG1 3.7Å
379K88.4Confident79.5Confident130 Ų130107 Ų10757%0.56560%0.598SS**EExtended strand (participates in β ladder)trans-127.3143.5-178.5-177175.8175.8-177.60109.2I387 D389K379-I387 PolarHBondContact N-O 3.36Å; K379-I387 PolarHBondContact O-N 2.79Å; K379-I387 VanDerWaalsContact O-O 3.09Å; K379-D389 HydrophobicContact CB-CB 4.31Å
380V93.8Very high81.4Confident92 Ų92108.8 Ų108.856%0.55860%0.596SS**EExtended strand (participates in β ladder)trans-81130.6172.7-163.10000108.3S385 L386V380-S385 CarbonylContact C-O 3.57Å; V380-S385 WeakPolarHBondContact CA-O 3.38Å; V380-S385 WeakPolarHBondContact CG1-O 3.33Å; V380-L386 HydrophobicContact CG2-CD2 3.93Å
381A87.5Confident83.2Confident32 Ų32112.7 Ų112.726%0.26460%0.599SS.*  trans-83.2170.4175.500000112D383 G384 S385 I387A381-D383 WeakPolarHBondContact CB-OD1 3.41Å; A381-D383 PolarHBondContact O-N 3.36Å; A381-G384 PolarHBondContact O-N 3.31Å; A381-S385 PolarHBondContact N-O 2.82Å; A381-I387 HydrophobicContact CB-CD1 3.63Å; A381-I387 HydrophobicContact CB-CG1 4Å
382E86.5Confident84.8Confident213 Ų213105 Ų105100%0.99557%0.569SS**THydrogen-bonded Turntrans-67-18.6-175-60.6-178.4178.100113.5G384E382-G384 VanDerWaalsContact C-N 3.34Å
383D87Confident85.7Confident129 Ų129104.7 Ų104.769%0.6956%0.559SS**THydrogen-bonded Turntrans-86.6-1.4171.970.8-16.8000113.7A381 S385A381-D383 WeakPolarHBondContact CB-OD1 3.41Å; A381-D383 PolarHBondContact O-N 3.36Å; D383-S385 VanDerWaalsContact OD1-CB 3.23Å; D383-S385 WeakPolarHBondContact OD1-CB 3.5Å; D383-S385 PolarHBondContact OD1-N 3.47Å; D383-S385 PolarHBondContact OD1-OG 2.8Å; D383-S385 PolarHBondContact OD2-OG 3.28Å
384G88.6Confident86.3Confident54 Ų54103.2 Ų103.256%0.55756%0.555SS**SBendtrans84.52.2-175.700000115.1A381 E382A381-G384 PolarHBondContact O-N 3.31Å; E382-G384 VanDerWaalsContact C-N 3.34Å
385S87.9Confident86.5Confident42 Ų4299.7 Ų99.729%0.29454%0.543SS..  trans-75.7159.8176.270.60000112.5V380 A381 D383V380-S385 CarbonylContact C-O 3.57Å; V380-S385 WeakPolarHBondContact CA-O 3.38Å; V380-S385 WeakPolarHBondContact CG1-O 3.33Å; A381-S385 PolarHBondContact N-O 2.82Å; D383-S385 VanDerWaalsContact OD1-CB 3.23Å; D383-S385 WeakPolarHBondContact OD1-CB 3.5Å; D383-S385 PolarHBondContact OD1-N 3.47Å; D383-S385 PolarHBondContact OD1-OG 2.8Å; D383-S385 PolarHBondContact OD2-OG 3.28Å
386L89.6Confident86.1Confident136 Ų136102.2 Ų102.271%0.71255%0.549SS*.EExtended strand (participates in β ladder)trans-98.5116.9177.6-61.4179.8000110.2V380V380-L386 HydrophobicContact CG2-CD2 3.93Å
387I89.1Confident85.3Confident92 Ų92103 Ų10347%0.47255%0.551SS.*EExtended strand (participates in β ladder)trans-121.8155.8-177.4-54.2-168.4000109.6L378 K379 A381L378-I387 CarbonylContact C-O 3.59Å; L378-I387 WeakPolarHBondContact CA-O 3.23Å; K379-I387 PolarHBondContact N-O 3.36Å; K379-I387 PolarHBondContact O-N 2.79Å; K379-I387 VanDerWaalsContact O-O 3.09Å; A381-I387 HydrophobicContact CB-CD1 3.63Å; A381-I387 HydrophobicContact CB-CG1 4Å
388I89.9Confident84Confident94 Ų94101.6 Ų101.648%0.48255%0.545SS..EExtended strand (participates in β ladder)trans-74.6137.3174.2-60.3169000109.2L378 E390L378-I388 HydrophobicContact CD2-CB 4.3Å; L378-I388 HydrophobicContact CD2-CG1 3.7Å; I388-E390 PolarHBondContact O-N 2.87Å
389D89Confident82.6Confident38 Ų38106.5 Ų106.520%0.20355%0.554CS.*  trans-78.8108.6175.4-168.9-1.8000110.7Q377 K379 E391 S392 L393Q377-D389 HydrophobicContact CB-CB 4.29Å; Q377-D389 PolarHBondContact O-N 3.47Å; K379-D389 HydrophobicContact CB-CB 4.31Å; D389-E391 VanDerWaalsContact C-N 3.32Å; D389-E391 PolarHBondContact O-N 2.82Å; D389-E391 PolarHBondContact OD1-N 3.07Å; D389-S392 CarbonylContact O-C 3.57Å; D389-S392 PolarHBondContact O-N 2.83Å; D389-S392 VanDerWaalsContact O-N 3.12Å; D389-L393 PolarHBondContact O-N 3.5Å
390E83.9Confident81Confident155 Ų155104.6 Ų104.672%0.72456%0.563SS**Hα-helixtrans-64.5-33.8-174.8-60-170.7160.800112.7I388 S392 L393I388-E390 PolarHBondContact O-N 2.87Å; E390-S392 VanDerWaalsContact C-N 3.29Å; E390-S392 PolarHBondContact O-N 2.67Å; E390-L393 WeakPolarHBondContact O-CB 3.34Å; E390-L393 PolarHBondContact O-N 3.22Å
391E80.9Confident79.2Confident168 Ų168107.6 Ų107.679%0.78557%0.568SS**Hα-helixtrans-64.5-37.4174.6-65.7-174.4-163.500110.8D389 L393D389-E391 VanDerWaalsContact C-N 3.32Å; D389-E391 PolarHBondContact O-N 2.82Å; D389-E391 PolarHBondContact OD1-N 3.07Å; E391-L393 VanDerWaalsContact C-N 3.33Å
392S83.6Confident78.1Confident28 Ų28108.2 Ų108.220%0.19658%0.578CS.*Hα-helixtrans-77.7-15.1175.8-173.20000113.8V375 Q377 D389 E390V375-S392 PolarHBondContact O-OG 3.07Å; Q377-S392 WeakPolarHBondContact CG-OG 3.37Å; Q377-S392 PolarHBondContact N-OG 3.12Å; D389-S392 CarbonylContact O-C 3.57Å; D389-S392 PolarHBondContact O-N 2.83Å; D389-S392 VanDerWaalsContact O-N 3.12Å; E390-S392 VanDerWaalsContact C-N 3.29Å; E390-S392 PolarHBondContact O-N 2.67Å
393L82.8Confident77Confident102 Ų102104.2 Ų104.253%0.53457%0.571SS.*Hα-helixtrans-77.1-27.6179.9-172.761.7000112.1P376 D389 E390 E391P376-L393 HydrophobicContact CB-CD1 4.32Å; P376-L393 HydrophobicContact CG-CD1 4.24Å; D389-L393 PolarHBondContact O-N 3.5Å; E390-L393 WeakPolarHBondContact O-CB 3.34Å; E390-L393 PolarHBondContact O-N 3.22Å; E391-L393 VanDerWaalsContact C-N 3.33Å
394T80Confident75.6Confident105 Ų105102.1 Ų102.164%0.64456%0.559SS**SBendtrans-110.1111.2179.761.10000112.4E396T394-E396 PolarHBondContact O-N 2.76Å; T394-E396 VanDerWaalsContact O-N 3.12Å
395V77.7Confident74.3Confident80 Ų80104.3 Ų104.349%0.48556%0.564SS.*  trans-73.7103.7171.2178.50000109.2M374 V397M374-V395 HydrophobicContact CB-CG2 4.4Å; M374-V395 HydrophobicContact CE-CG1 3.68Å; M374-V395 HydrophobicContact CE-CG2 4.08Å; V395-V397 HydrophobicContact CG1-CG2 4.46Å; V395-V397 PolarHBondContact O-N 2.98Å
396E73.7Confident73Confident140 Ų140105.5 Ų105.565%0.65458%0.576SS**  trans-64.3105.8168-164.8-156.6160.900109.5T394 Q398T394-E396 PolarHBondContact O-N 2.76Å; T394-E396 VanDerWaalsContact O-N 3.12Å; E396-Q398 HydrophobicContact CB-CG 4.32Å; E396-Q398 HydrophobicContact CG-CG 3.92Å; E396-Q398 PolarHBondContact O-N 2.93Å; E396-Q398 VanDerWaalsContact OE1-CG 3.31Å; E396-Q398 WeakPolarHBondContact OE1-CG 3.4Å; E396-Q398 WeakPolarHBondContact OE2-CG 3.39Å; E396-Q398 PolarHBondContact OE2-NE2 2.99Å
397V70.9Confident71.8Confident100 Ų100103 Ų10361%0.60657%0.571SS**  trans-75.676177-172.20000109.4V395 R399V395-V397 HydrophobicContact CG1-CG2 4.46Å; V395-V397 PolarHBondContact O-N 2.98Å; V397-R399 HydrophobicContact CG1-CG 4.26Å; V397-R399 PolarHBondContact O-N 3.43Å
398Q62.8Low70.9Confident76 Ų76105.5 Ų105.536%0.35559%0.585SS.*  trans-65.273178.4-70.8-1801100111.7E396 A400 K401E396-Q398 HydrophobicContact CB-CG 4.32Å; E396-Q398 HydrophobicContact CG-CG 3.92Å; E396-Q398 PolarHBondContact O-N 2.93Å; E396-Q398 VanDerWaalsContact OE1-CG 3.31Å; E396-Q398 WeakPolarHBondContact OE1-CG 3.4Å; E396-Q398 WeakPolarHBondContact OE2-CG 3.39Å; E396-Q398 PolarHBondContact OE2-NE2 2.99Å; Q398-A400 PolarHBondContact O-N 3.15Å; Q398-K401 HydrophobicContact CB-CB 4.2Å; Q398-K401 HydrophobicContact CB-CG 4.31Å; Q398-K401 PolarHBondContact O-N 2.84Å
399R60.3Low70.3Confident230 Ų230109.5 Ų109.587%0.86859%0.594SS**THydrogen-bonded Turntrans-54.6-13176.7-73.4-174.817091.4-4.7114.2V397V397-R399 HydrophobicContact CG1-CG 4.26Å; V397-R399 PolarHBondContact O-N 3.43Å
400A55.3Low69.9Low90 Ų90114.6 Ų114.674%0.74462%0.621SS**THydrogen-bonded Turntrans-106.9-4.1-178.700000115.5Q398Q398-A400 PolarHBondContact O-N 3.15Å
401K57.3Low69.7Low155 Ų155112.5 Ų112.567%0.67462%0.621SS**SBendtrans-110.34.8-179.9-58.8-153-153.81260115.7Q398Q398-K401 HydrophobicContact CB-CB 4.2Å; Q398-K401 HydrophobicContact CB-CG 4.31Å; Q398-K401 PolarHBondContact O-N 2.84Å
402G63.9Low69.5Low45 Ų45111.7 Ų111.746%0.46462%0.62SS.*SBendtrans-74.3157.8153.700000110.2N404G402-N404 PolarHBondContact O-N 3.29Å
403P63.8Low69.2Low130 Ų130119.2 Ų119.284%0.84465%0.65SS**  trans-53.6114.5170.8-24.234.2000109.7P405P403-P405 VanDerWaalsContact O-CD 3.26Å; P403-P405 WeakPolarHBondContact O-CD 3.44Å
404N57.2Low69Low84 Ų84123.5 Ų123.545%0.44967%0.667SS.*  trans-71.1115-168.9-177.7-6000109.6G402 A406 S407G402-N404 PolarHBondContact O-N 3.29Å; N404-A406 PolarHBondContact O-N 2.74Å; N404-A406 WeakPolarHBondContact OD1-CB 3.39Å; N404-A406 PolarHBondContact OD1-N 3.19Å; N404-S407 PolarHBondContact O-N 3.2Å; N404-S407 PolarHBondContact O-OG 2.73Å
405P60.2Low69Low100 Ų100129.9 Ų129.965%0.64968%0.679SS**THydrogen-bonded Turntrans-69.10.5-177.630.8-36.9000113.7P403 R409P403-P405 VanDerWaalsContact O-CD 3.26Å; P403-P405 WeakPolarHBondContact O-CD 3.44Å; P405-R409 VanDerWaalsContact O-CG 3.29Å; P405-R409 WeakPolarHBondContact O-CG 3.39Å; P405-R409 PolarHBondContact O-NE 3.43Å
406A61.2Low68.9Low67 Ų67128.7 Ų128.755%0.55468%0.683SS**THydrogen-bonded Turntrans-96.6-19168.900000114.5N404N404-A406 PolarHBondContact O-N 2.74Å; N404-A406 WeakPolarHBondContact OD1-CB 3.39Å; N404-A406 PolarHBondContact OD1-N 3.19Å
407S65.5Low69.1Low85 Ų85127.5 Ų127.559%0.59469%0.69SS**THydrogen-bonded Turntrans-79.6-29.4174.956.70000112.6N404 R409N404-S407 PolarHBondContact O-N 3.2Å; N404-S407 PolarHBondContact O-OG 2.73Å; S407-R409 PolarHBondContact O-N 3.05Å; S407-R409 VanDerWaalsContact O-N 3.13Å
408D69.6Low69.6Low144 Ų144129.1 Ų129.177%0.7770%0.701SS**THydrogen-bonded Turntrans-78.925.4171.5-86.38.6000113
409R77.7Confident70.8Confident177 Ų177129.2 Ų129.267%0.66871%0.707SS**SBendtrans-122.4124.9178.9-60.4-62.7176.1-165.5-2.4110.2P405 S407P405-R409 VanDerWaalsContact O-CG 3.29Å; P405-R409 WeakPolarHBondContact O-CG 3.39Å; P405-R409 PolarHBondContact O-NE 3.43Å; S407-R409 PolarHBondContact O-N 3.05Å; S407-R409 VanDerWaalsContact O-N 3.13Å
410D80.1Confident72.1Confident146 Ų146122.5 Ų122.578%0.78169%0.691SS**  trans-49.4129.2170.2-61.6-53.6000110I412D410-I412 WeakPolarHBondContact O-CG1 3.46Å; D410-I412 PolarHBondContact O-N 3.38Å
411P80.4Confident73.6Confident110 Ų110126.4 Ų126.471%0.71469%0.688SS**  trans-57.9104.7178.7-29.236.9000112.5F413P411-F413 WeakPolarHBondContact O-CD2 3.47Å; P411-F413 PolarHBondContact O-N 3.48Å
412I76.1Confident74.9Confident152 Ų152122.6 Ų122.678%0.77968%0.681SS**  trans-79.7106-178.8-52.9-176.7000109.3D410 E414D410-I412 WeakPolarHBondContact O-CG1 3.46Å; D410-I412 PolarHBondContact O-N 3.38Å; I412-E414 PolarHBondContact O-N 3.2Å
413F77.1Confident75.9Confident185 Ų185123.8 Ų123.881%0.81168%0.682SS**  trans-73.8118.2171.3-66.6-87.1000110.8P411 R415P411-F413 WeakPolarHBondContact O-CD2 3.47Å; P411-F413 PolarHBondContact O-N 3.48Å; F413-R415 PolarHBondContact O-N 3.47Å
414E79.3Confident77Confident192 Ų192125 Ų12590%0.89767%0.674SS**  trans-73.264.7-179-62.5-159.9154.200113.6I412 G416I412-E414 PolarHBondContact O-N 3.2Å; E414-G416 PolarHBondContact O-N 2.76Å
415R79Confident78.5Confident240 Ų240127.9 Ų127.991%0.90668%0.679SS**  trans-75.666.5173.6-177.9165.3-84.7-176.5-5.5111.7F413F413-R415 PolarHBondContact O-N 3.47Å
416G74.7Confident79.6Confident55 Ų55133.1 Ų133.157%0.56769%0.691SS**  trans63.6121.5164.300000116.3E414 T418E414-G416 PolarHBondContact O-N 2.76Å; G416-T418 PolarHBondContact O-N 3.23Å
417S78.1Confident80.5Confident115 Ų115134.7 Ų134.780%0.80470%0.698SS**  trans-62.4102.9178.8-82.80000113T419S417-T419 PolarHBondContact O-N 2.96Å
418T83Confident81.4Confident134 Ų134138.1 Ų138.182%0.82271%0.71SS**  trans-78.812.8174.255.10000113.4G416 T420G416-T418 PolarHBondContact O-N 3.23Å; T418-T420 PolarHBondContact O-N 2.84Å
419T87.8Confident82.2Confident78 Ų78140.2 Ų140.248%0.47971%0.708SS.*  trans-68121.7-174.253.70000112S417 F424S417-T419 PolarHBondContact O-N 2.96Å; T419-F424 HydrophobicContact CG2-CZ 4.38Å
420T87.8Confident82.7Confident88 Ų88134.4 Ų134.454%0.5470%0.695SS.*  trans-98.3156.5175.7-60.10000110T418 S422 S423T418-T420 PolarHBondContact O-N 2.84Å; T420-S422 PolarHBondContact O-N 2.93Å; T420-S423 PolarHBondContact O-N 2.9Å; T420-S423 PolarHBondContact O-OG 2.78Å
421Y85.7Confident83.1Confident172 Ų172132.9 Ų132.968%0.67568%0.682SS**THydrogen-bonded Turntrans-50.4-20.2176.8-177.4-108.7000115.5R425Y421-R425 PolarHBondContact OH-NH2 2.75Å
422S84.5Confident83.7Confident75 Ų75132.4 Ų132.452%0.52468%0.679SS.*THydrogen-bonded Turntrans-76.7-26.8172.746.40000115.2T420 F424 R425T420-S422 PolarHBondContact O-N 2.93Å; S422-F424 VanDerWaalsContact C-N 3.32Å; S422-F424 PolarHBondContact O-N 2.82Å; S422-R425 WeakPolarHBondContact O-CB 3.39Å; S422-R425 PolarHBondContact O-N 2.88Å; S422-R425 VanDerWaalsContact O-N 3.15Å
423S85Confident84.5Confident70 Ų70127.9 Ų127.949%0.4965%0.652SS.*THydrogen-bonded Turntrans-69.2-30-176.660.50000112.8T420 R425T420-S423 PolarHBondContact O-N 2.9Å; T420-S423 PolarHBondContact O-OG 2.78Å; S423-R425 PolarHBondContact O-N 3.2Å
424F87.3Confident85.3Confident155 Ų155120.2 Ų120.268%0.6862%0.621SS**THydrogen-bonded Turntrans-75.8-0.8174.7-55.7-76.4000113.8T419 S422T419-F424 HydrophobicContact CG2-CZ 4.38Å; S422-F424 VanDerWaalsContact C-N 3.32Å; S422-F424 PolarHBondContact O-N 2.82Å
425R89.1Confident86Confident145 Ų145117.3 Ų117.355%0.54761%0.61SS.*SBendtrans-102130.1-178.3-66.6177.1162.6-89.7-3.4110.5Y421 S422 S423 S427Y421-R425 PolarHBondContact OH-NH2 2.75Å; S422-R425 WeakPolarHBondContact O-CB 3.39Å; S422-R425 PolarHBondContact O-N 2.88Å; S422-R425 VanDerWaalsContact O-N 3.15Å; S423-R425 PolarHBondContact O-N 3.2Å; R425-S427 PolarHBondContact O-N 3.28Å
426K81.9Confident86.7Confident210 Ų210108.1 Ų108.191%0.91358%0.577SS**  trans-6969.6177-61.6-174.3-179.6-176.60112
427S81.8Confident87.5Confident101 Ų101106.3 Ų106.371%0.70655%0.554SS**  trans-101.184.4-177.5177.60000110.9R425 Y429R425-S427 PolarHBondContact O-N 3.28Å; S427-Y429 PolarHBondContact O-N 2.95Å
428N82.5Confident88.4Confident157 Ų157101.6 Ų101.684%0.8452%0.521SS*.  trans-64.4116.1178.7-63.1-23.9000111.1S430N428-S430 PolarHBondContact O-N 3.44Å
429Y86.5Confident88.9Confident187 Ų18798.6 Ų98.673%0.73350%0.5SS*.  trans-70.5109.5175.6174.5-98.8000110.8S427 K431 P432S427-Y429 PolarHBondContact O-N 2.95Å; Y429-K431 HydrophobicContact CE1-CG 4.36Å; Y429-P432 WeakPolarHBondContact OH-CD 3.44Å
430S88Confident89.3Confident56 Ų5695.2 Ų95.239%0.39248%0.478SS..PPolyproline II helixtrans-78.6124.8170.8179.80000110N428 E466N428-S430 PolarHBondContact O-N 3.44Å; S430-E466 WeakPolarHBondContact CA-OE1 3.3Å; S430-E466 VanDerWaalsContact CB-OE1 3.3Å; S430-E466 WeakPolarHBondContact CB-OE1 3.33Å; S430-E466 PolarHBondContact OG-OE1 3.47Å
431K90.2Very high89.7Confident114 Ų11491 Ų9150%0.49645%0.453SS..PPolyproline II helixtrans-61.8138175.9-65.6168.1-177.6166.40109.2Y429 W433 R462Y429-K431 HydrophobicContact CE1-CG 4.36Å; K431-W433 PolarHBondContact O-N 3.44Å; K431-R462 PolarHBondContact O-NH1 2.98Å; K431-R462 PolarHBondContact O-NH2 3.39Å
432P92.2Very high90.2Very high100 Ų10083.7 Ų83.765%0.64942%0.424SS*.PPolyproline II helixtrans-59.4136.9174.525.7-34.2000110.2Y429 S434 R462Y429-P432 WeakPolarHBondContact OH-CD 3.44Å; P432-S434 PolarHBondContact O-N 3.08Å; P432-R462 PolarHBondContact O-NH2 3.29Å
433W93.8Very high90.7Very high57 Ų5781.3 Ų81.322%0.21641%0.405CS..PPolyproline II helixtrans-68.7127.9177.8-75.577.4000110.4K431 E437 F441 R462 I467 K470K431-W433 PolarHBondContact O-N 3.44Å; W433-E437 WeakPolarHBondContact CA-OE2 3.22Å; W433-E437 HydrophobicContact CE3-CG 3.72Å; W433-E437 HydrophobicContact CZ3-CG 3.85Å; W433-F441 HydrophobicContact CH2-CB 4.39Å; W433-F441 HydrophobicContact CH2-CD2 4.32Å; W433-F441 HydrophobicContact CZ3-CB 3.81Å; W433-F441 HydrophobicContact CZ3-CG 4.36Å; W433-R462 HydrophobicContact CH2-CG 4.32Å; W433-R462 HydrophobicContact CZ2-CG 4.42Å; W433-I467 HydrophobicContact CH2-CD1 3.83Å; W433-I467 HydrophobicContact CZ2-CD1 4.22Å; W433-K470 HydrophobicContact CD2-CB 4.47Å; W433-K470 HydrophobicContact CD2-CD 3.63Å; W433-K470 HydrophobicContact CD2-CG 3.98Å; W433-K470 HydrophobicContact CE3-CD 4.02Å; W433-K470 HydrophobicContact CE3-CG 4.14Å; W433-K470 HydrophobicContact CG-CD 3.92Å; W433-K470 HydrophobicContact CH2-CB 4.17Å; W433-K470 HydrophobicContact CH2-CG 3.9Å; W433-K470 HydrophobicContact CZ2-CB 3.56Å; W433-K470 HydrophobicContact CZ2-CD 4.27Å; W433-K470 HydrophobicContact CZ2-CG 3.7Å; W433-K470 HydrophobicContact CZ3-CD 4.49Å; W433-K470 HydrophobicContact CZ3-CG 4.12Å
434S93.2Very high91.3Very high23 Ų2378 Ų7816%0.16138%0.382CS..PPolyproline II helixtrans-78.4163.9169.974.90000111.2P432 E437 T438P432-S434 PolarHBondContact O-N 3.08Å; S434-E437 PolarHBondContact N-OE2 3.49Å; S434-E437 WeakPolarHBondContact OG-CB 3.18Å; S434-E437 PolarHBondContact OG-N 3.48Å; S434-T438 WeakPolarHBondContact O-CB 3.24Å; S434-T438 PolarHBondContact O-N 3.12Å; S434-T438 PolarHBondContact O-OG1 3.13Å
435I93.2Very high91.7Very high132 Ų13270.7 Ų70.768%0.67735%0.35SS*.Hα-helixtrans-65.2-50.3179.4-56.6171.6000109.5E437 T438 D439I435-E437 VanDerWaalsContact C-N 3.34Å; I435-E437 PolarHBondContact O-N 2.71Å; I435-T438 CarbonylContact O-C 3.03Å; I435-T438 WeakPolarHBondContact O-CA 3.5Å; I435-T438 VanDerWaalsContact O-CB 3.23Å; I435-T438 WeakPolarHBondContact O-CB 3.46Å; I435-T438 PolarHBondContact O-N 2.61Å; I435-D439 PolarHBondContact O-N 3.34Å
436E93.4Very high92Very high46 Ų4663.9 Ų63.922%0.21533%0.325CS..Hα-helixtrans-64.9-36.9-177.3-62.7149.3-14700111.5T438 D439 M440 I504 Q508 K511E436-T438 VanDerWaalsContact C-N 3.35Å; E436-D439 PolarHBondContact O-N 2.58Å; E436-M440 WeakPolarHBondContact O-CG 3.26Å; E436-M440 PolarHBondContact O-N 3.22Å; E436-I504 HydrophobicContact CB-CG2 3.6Å; E436-Q508 PolarHBondContact OE1-NE2 3.01Å; E436-Q508 PolarHBondContact OE2-NE2 2.75Å; E436-K511 IonicContact OE1-NZ 2.79Å; E436-K511 PolarHBondContact OE1-NZ 2.96Å; E436-K511 IonicContact OE2-NZ 3.78Å
437E93.4Very high92.7Very high18 Ų1854.7 Ų54.78%0.08429%0.285CS..Hα-helixtrans-67.4-30.8169.6-176.8-169.9-161.300113.2W433 S434 I435 F441 F459 R462 M505W433-E437 WeakPolarHBondContact CA-OE2 3.22Å; W433-E437 HydrophobicContact CE3-CG 3.72Å; W433-E437 HydrophobicContact CZ3-CG 3.85Å; S434-E437 PolarHBondContact N-OE2 3.49Å; S434-E437 WeakPolarHBondContact OG-CB 3.18Å; S434-E437 PolarHBondContact OG-N 3.48Å; I435-E437 VanDerWaalsContact C-N 3.34Å; I435-E437 PolarHBondContact O-N 2.71Å; E437-F441 PolarHBondContact O-N 3.46Å; E437-F459 HydrophobicContact CG-CE1 4.42Å; E437-R462 VanDerWaalsContact CD-NH2 3.34Å; E437-R462 IonicContact OE1-CZ 2.87Å; E437-R462 IonicContact OE1-NE 3.2Å; E437-R462 PolarHBondContact OE1-NE 3.02Å; E437-R462 IonicContact OE1-NH2 2.71Å; E437-R462 PolarHBondContact OE1-NH2 3Å; E437-R462 IonicContact OE2-NH2 2.64Å; E437-R462 PolarHBondContact OE2-NH2 3.16Å; E437-M505 HydrophobicContact CB-CE 4.04Å
438T95.3Very high93.3Very high16 Ų1651.1 Ų51.110%0.09826%0.259CS..Hα-helixtrans-70.9-39.4174.7-640000111.1S434 I435 E436 F441 Y442 K470S434-T438 WeakPolarHBondContact O-CB 3.24Å; S434-T438 PolarHBondContact O-N 3.12Å; S434-T438 PolarHBondContact O-OG1 3.13Å; I435-T438 CarbonylContact O-C 3.03Å; I435-T438 WeakPolarHBondContact O-CA 3.5Å; I435-T438 VanDerWaalsContact O-CB 3.23Å; I435-T438 WeakPolarHBondContact O-CB 3.46Å; I435-T438 PolarHBondContact O-N 2.61Å; E436-T438 VanDerWaalsContact C-N 3.35Å; T438-F441 WeakPolarHBondContact O-CB 3.49Å; T438-F441 PolarHBondContact O-N 3.45Å; T438-Y442 HydrophobicContact CG2-CD2 4Å; T438-Y442 HydrophobicContact CG2-CE2 3.6Å; T438-Y442 WeakPolarHBondContact O-CD2 3.37Å; T438-Y442 PolarHBondContact O-N 2.83Å; T438-K470 PolarHBondContact OG1-NZ 3.27Å
439D95.4Very high93.9Very high71 Ų7144.1 Ų44.138%0.3822%0.224SC..Hα-helixtrans-69.1-35175.1-61.7-42.5000111I435 E436 F441 Y442 L443 R481I435-D439 PolarHBondContact O-N 3.34Å; E436-D439 PolarHBondContact O-N 2.58Å; D439-F441 VanDerWaalsContact C-N 3.35Å; D439-F441 PolarHBondContact O-N 2.78Å; D439-Y442 PolarHBondContact O-N 2.95Å; D439-L443 PolarHBondContact O-N 2.87Å; D439-R481 IonicContact OD1-NH1 2.87Å; D439-R481 PolarHBondContact OD1-NH1 2.95Å
440M95.2Very high94.3Very high6 Ų639.5 Ų39.53%0.0322%0.215CC..Hα-helixtrans-63.4-35.2167-71.5-59.5-74.200113.2E436 L443 A444 F459 F497 L500 L501 I504E436-M440 WeakPolarHBondContact O-CG 3.26Å; E436-M440 PolarHBondContact O-N 3.22Å; M440-L443 HydrophobicContact CE-CD2 4.14Å; M440-L443 WeakPolarHBondContact O-CB 3.4Å; M440-L443 PolarHBondContact O-N 3.42Å; M440-L443 HydrophobicContact SD-CD2 3.92Å; M440-A444 PolarHBondContact O-N 3.46Å; M440-F459 HydrophobicContact CB-CE1 4.25Å; M440-F459 HydrophobicContact CB-CZ 4.15Å; M440-F497 HydrophobicContact CB-CZ 4.24Å; M440-F497 HydrophobicContact CE-CD1 4.22Å; M440-F497 HydrophobicContact CE-CD2 3.89Å; M440-F497 HydrophobicContact CE-CE1 3.99Å; M440-F497 HydrophobicContact CE-CE2 3.65Å; M440-F497 HydrophobicContact CE-CG 4.18Å; M440-F497 HydrophobicContact CE-CZ 3.7Å; M440-F497 WeakPolarHBondContact O-CE2 3.38Å; M440-F497 WeakPolarHBondContact O-CZ 3.34Å; M440-L500 HydrophobicContact CE-CB 4.02Å; M440-L500 HydrophobicContact CE-CD2 3.9Å; M440-L500 HydrophobicContact CE-CG 3.8Å; M440-L500 HydrophobicContact SD-CD2 3.74Å; M440-L500 HydrophobicContact SD-CG 3.85Å; M440-L501 HydrophobicContact CB-CD1 4.29Å; M440-L501 HydrophobicContact CE-CB 3.91Å; M440-L501 HydrophobicContact CG-CD1 4.21Å; M440-I504 HydrophobicContact CG-CD1 3.74Å; M440-I504 HydrophobicContact SD-CD1 3.66Å
441F96.1Very high94.7Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-64.4-40.2172.6162.1-90.9000111.7W433 E437 T438 D439 L443 A444 V445 F459 I467 K470 F471 E474 I482W433-F441 HydrophobicContact CH2-CB 4.39Å; W433-F441 HydrophobicContact CH2-CD2 4.32Å; W433-F441 HydrophobicContact CZ3-CB 3.81Å; W433-F441 HydrophobicContact CZ3-CG 4.36Å; E437-F441 PolarHBondContact O-N 3.46Å; T438-F441 WeakPolarHBondContact O-CB 3.49Å; T438-F441 PolarHBondContact O-N 3.45Å; D439-F441 VanDerWaalsContact C-N 3.35Å; D439-F441 PolarHBondContact O-N 2.78Å; F441-L443 VanDerWaalsContact C-N 3.33Å; F441-L443 PolarHBondContact O-N 2.99Å; F441-A444 PolarHBondContact O-N 3.15Å; F441-V445 HydrophobicContact CE1-CG2 4.17Å; F441-V445 HydrophobicContact CE2-CG2 4.01Å; F441-V445 HydrophobicContact CZ-CG2 3.79Å; F441-V445 WeakPolarHBondContact O-CG2 3.47Å; F441-V445 PolarHBondContact O-N 3.3Å; F441-F459 HydrophobicContact CB-CZ 4.23Å; F441-I467 HydrophobicContact CE2-CG2 4.17Å; F441-K470 HydrophobicContact CD1-CG 3.92Å; F441-K470 HydrophobicContact CD2-CG 3.87Å; F441-K470 HydrophobicContact CE1-CG 3.96Å; F441-K470 HydrophobicContact CE2-CB 4.3Å; F441-K470 HydrophobicContact CE2-CG 3.9Å; F441-K470 HydrophobicContact CG-CG 3.89Å; F441-K470 HydrophobicContact CZ-CG 3.96Å; F441-F471 HydrophobicContact CE2-CB 4.41Å; F441-F471 HydrophobicContact CZ-CB 3.89Å; F441-F471 HydrophobicContact CZ-CD2 4.14Å; F441-E474 HydrophobicContact CE1-CB 4.46Å; F441-E474 HydrophobicContact CE1-CG 4.06Å; F441-I482 HydrophobicContact CE1-CD1 4.04Å; F441-I482 HydrophobicContact CZ-CD1 4.45Å
442Y96.4Very high95Very high19 Ų1936.5 Ų36.58%0.07520%0.198CC..Hα-helixtrans-64.7-35.7172.9-74.2-67.2000112.4T438 D439 V445 S446 E474 N478 R481 I482T438-Y442 HydrophobicContact CG2-CD2 4Å; T438-Y442 HydrophobicContact CG2-CE2 3.6Å; T438-Y442 WeakPolarHBondContact O-CD2 3.37Å; T438-Y442 PolarHBondContact O-N 2.83Å; D439-Y442 PolarHBondContact O-N 2.95Å; Y442-V445 PolarHBondContact O-N 2.87Å; Y442-S446 WeakPolarHBondContact O-CB 3.3Å; Y442-S446 PolarHBondContact O-N 3.33Å; Y442-E474 HydrophobicContact CE1-CB 4.43Å; Y442-E474 WeakPolarHBondContact OH-CB 3.34Å; Y442-E474 WeakPolarHBondContact OH-CG 3.44Å; Y442-E474 PolarHBondContact OH-OE2 3.17Å; Y442-N478 WeakPolarHBondContact OH-CB 3.43Å; Y442-R481 HydrophobicContact CD1-CB 3.96Å; Y442-R481 HydrophobicContact CE1-CB 3.28Å; Y442-R481 HydrophobicContact CE1-CG 4.39Å; Y442-R481 HydrophobicContact CE2-CB 4.22Å; Y442-R481 VanDerWaalsContact CZ-CB 3.44Å; Y442-R481 VanDerWaalsContact CZ-CD 3.47Å; Y442-R481 WeakPolarHBondContact OH-CD 3.43Å; Y442-I482 HydrophobicContact CD1-CD1 4.23Å; Y442-I482 HydrophobicContact CE1-CD1 3.65Å; Y442-I482 HydrophobicContact CE1-CG1 4.02Å
443L95.9Very high95.2Very high24 Ų2433.8 Ų33.813%0.12618%0.182CC..Hα-helixtrans-64.1-42.1171.9-177.364.2000112D439 M440 F441 V445 S446 M447 F497 L500D439-L443 PolarHBondContact O-N 2.87Å; M440-L443 HydrophobicContact CE-CD2 4.14Å; M440-L443 WeakPolarHBondContact O-CB 3.4Å; M440-L443 PolarHBondContact O-N 3.42Å; M440-L443 HydrophobicContact SD-CD2 3.92Å; F441-L443 VanDerWaalsContact C-N 3.33Å; F441-L443 PolarHBondContact O-N 2.99Å; L443-V445 PolarHBondContact O-N 3.19Å; L443-S446 WeakPolarHBondContact O-CB 3.49Å; L443-S446 PolarHBondContact O-N 3.03Å; L443-S446 VanDerWaalsContact O-N 3.16Å; L443-M447 HydrophobicContact CD1-CE 4.13Å; L443-M447 HydrophobicContact CG-CE 4.29Å; L443-M447 HydrophobicContact CG-SD 4.3Å; L443-M447 PolarHBondContact O-N 3.26Å; L443-F497 HydrophobicContact CB-CE2 4.16Å; L443-F497 HydrophobicContact CD2-CD2 3.99Å; L443-F497 HydrophobicContact CD2-CE2 4.07Å; L443-F497 HydrophobicContact CG-CD2 4.18Å; L443-F497 HydrophobicContact CG-CE2 4.08Å; L443-L500 HydrophobicContact CD2-CD2 3.94Å
444A96.1Very high95.2Very high0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-63.4-40.4176.400000112.2M440 F441 S446 M447 V448 I455 L458 F459 F497M440-A444 PolarHBondContact O-N 3.46Å; F441-A444 PolarHBondContact O-N 3.15Å; A444-S446 VanDerWaalsContact C-N 3.32Å; A444-S446 PolarHBondContact O-N 3.05Å; A444-M447 PolarHBondContact O-N 2.97Å; A444-V448 WeakPolarHBondContact O-CB 3.49Å; A444-V448 WeakPolarHBondContact O-CG2 3.47Å; A444-V448 PolarHBondContact O-N 2.83Å; A444-I455 HydrophobicContact CB-CG1 4.26Å; A444-I455 HydrophobicContact CB-CG2 3.94Å; A444-L458 HydrophobicContact CB-CD1 4.17Å; A444-F459 HydrophobicContact CB-CE2 4Å; A444-F497 HydrophobicContact CB-CE2 3.8Å; A444-F497 HydrophobicContact CB-CZ 3.81Å
445V96.4Very high95.3Very high2 Ų232.9 Ų32.91%0.01218%0.178CC..Hα-helixtrans-65.9-33.9173.3173.80000111.7F441 Y442 L443 G449 I455 F471 A485 F486F441-V445 HydrophobicContact CE1-CG2 4.17Å; F441-V445 HydrophobicContact CE2-CG2 4.01Å; F441-V445 HydrophobicContact CZ-CG2 3.79Å; F441-V445 WeakPolarHBondContact O-CG2 3.47Å; F441-V445 PolarHBondContact O-N 3.3Å; Y442-V445 PolarHBondContact O-N 2.87Å; L443-V445 PolarHBondContact O-N 3.19Å; V445-G449 WeakPolarHBondContact O-CA 3.45Å; V445-G449 PolarHBondContact O-N 2.92Å; V445-I455 HydrophobicContact CG2-CD1 4.1Å; V445-F471 HydrophobicContact CG2-CD2 4.46Å; V445-A485 HydrophobicContact CB-CB 4.17Å; V445-A485 HydrophobicContact CG1-CB 3.84Å; V445-F486 HydrophobicContact CG1-CD1 4.26Å; V445-F486 HydrophobicContact CG1-CE1 3.82Å; V445-F486 HydrophobicContact CG1-CE2 4.5Å; V445-F486 HydrophobicContact CG1-CZ 3.95Å
446S96.1Very high95.4Very high3 Ų328.1 Ų28.12%0.02116%0.156CC..Hα-helixtrans-68.4-33.21751600000113.3Y442 L443 A444 A485 E488 R489 R490Y442-S446 WeakPolarHBondContact O-CB 3.3Å; Y442-S446 PolarHBondContact O-N 3.33Å; L443-S446 WeakPolarHBondContact O-CB 3.49Å; L443-S446 PolarHBondContact O-N 3.03Å; L443-S446 VanDerWaalsContact O-N 3.16Å; A444-S446 VanDerWaalsContact C-N 3.32Å; A444-S446 PolarHBondContact O-N 3.05Å; S446-A485 WeakPolarHBondContact CA-O 3.17Å; S446-E488 WeakPolarHBondContact CB-O 3.38Å; S446-E488 PolarHBondContact OG-O 3.11Å; S446-R489 WeakPolarHBondContact O-CA 3.21Å; S446-R490 PolarHBondContact O-N 3.33Å; S446-R490 VanDerWaalsContact OG-CD 3.24Å; S446-R490 WeakPolarHBondContact OG-CD 3.3Å; S446-R490 VanDerWaalsContact OG-CG 3.3Å; S446-R490 WeakPolarHBondContact OG-CG 3.04Å; S446-R490 PolarHBondContact OG-NE 2.89Å
447M94.9Very high95.5Very high17 Ų1732.7 Ų32.78%0.08418%0.177CC..Hα-helixtrans-83.8-51.8176.2-70173163.100112.9L443 A444 R490 L492 Y496 F497L443-M447 HydrophobicContact CD1-CE 4.13Å; L443-M447 HydrophobicContact CG-CE 4.29Å; L443-M447 HydrophobicContact CG-SD 4.3Å; L443-M447 PolarHBondContact O-N 3.26Å; A444-M447 PolarHBondContact O-N 2.97Å; M447-R490 HydrophobicContact CG-CB 4.05Å; M447-L492 HydrophobicContact CB-CB 4.45Å; M447-Y496 HydrophobicContact CE-CD1 4.15Å; M447-Y496 HydrophobicContact CE-CE1 4.45Å; M447-F497 HydrophobicContact SD-CD2 3.95Å
448V95.6Very high95.5Very high26 Ų2632 Ų3216%0.15817%0.174CC..Hα-helixtrans-87.8-42.9-172.8-1780000112.4A444 D451 M454 I455 L458 L492A444-V448 WeakPolarHBondContact O-CB 3.49Å; A444-V448 WeakPolarHBondContact O-CG2 3.47Å; A444-V448 PolarHBondContact O-N 2.83Å; V448-D451 HydrophobicContact CG1-CB 4.04Å; V448-M454 HydrophobicContact CG1-CB 3.83Å; V448-M454 HydrophobicContact CG1-CG 3.76Å; V448-M454 HydrophobicContact CG2-CG 3.84Å; V448-I455 HydrophobicContact CB-CD1 4.18Å; V448-I455 HydrophobicContact CB-CG1 3.76Å; V448-I455 HydrophobicContact CG1-CD1 4.39Å; V448-I455 HydrophobicContact CG1-CG1 3.93Å; V448-I455 HydrophobicContact CG2-CG1 3.8Å; V448-L458 HydrophobicContact CG2-CD1 3.82Å; V448-L492 HydrophobicContact CG2-CD1 3.59Å
449G94.2Very high95.4Very high9 Ų931.5 Ų31.59%0.09317%0.171CC..  trans93.5-125.8-165.500000112.7V445V445-G449 WeakPolarHBondContact O-CA 3.45Å; V445-G449 PolarHBondContact O-N 2.92Å
450T95.2Very high95.1Very high90 Ų9033.2 Ų33.255%0.55219%0.186SC*.SBendtrans-96.7-5.4-171.144.40000115.5F452 F486T450-F452 WeakPolarHBondContact O-CD1 3.31Å; T450-F452 PolarHBondContact O-N 2.75Å; T450-F486 HydrophobicContact CG2-CE1 3.87Å; T450-F486 HydrophobicContact CG2-CZ 3.56Å
451D96.3Very high94.8Very high66 Ų6639.3 Ų39.335%0.35321%0.214SC..  trans-75.296.2-179.6-176.323.3000112.4V448 S453 M454 I455 R464V448-D451 HydrophobicContact CG1-CB 4.04Å; D451-S453 PolarHBondContact O-N 2.66Å; D451-S453 VanDerWaalsContact O-N 3.16Å; D451-S453 WeakPolarHBondContact OD1-CA 3.31Å; D451-S453 WeakPolarHBondContact OD1-CB 3.33Å; D451-S453 PolarHBondContact OD1-N 3.33Å; D451-M454 HydrophobicContact CB-CB 4.21Å; D451-M454 PolarHBondContact O-N 2.88Å; D451-M454 WeakPolarHBondContact OD2-CB 3.44Å; D451-M454 PolarHBondContact OD2-N 2.81Å; D451-I455 WeakPolarHBondContact O-CG1 3.39Å; D451-I455 PolarHBondContact O-N 3.25Å; D451-R464 IonicContact OD1-NH2 3.27Å
452F96.4Very high94.7Very high41 Ų4139.9 Ų39.918%0.1822%0.216CC..Hα-helixtrans-62.9-15173.8-46.6-50.9000113.7T450 C456 R464 I467 K468 F471T450-F452 WeakPolarHBondContact O-CD1 3.31Å; T450-F452 PolarHBondContact O-N 2.75Å; F452-C456 WeakPolarHBondContact O-CB 3.23Å; F452-C456 PolarHBondContact O-N 3.31Å; F452-C456 VanDerWaalsContact O-N 3.16Å; F452-R464 HydrophobicContact CB-CG 4.12Å; F452-R464 WeakPolarHBondContact O-CG 3.26Å; F452-I467 HydrophobicContact CB-CG2 4.16Å; F452-I467 HydrophobicContact CD1-CG2 3.98Å; F452-I467 HydrophobicContact CG-CG2 4.49Å; F452-K468 HydrophobicContact CD2-CB 4.07Å; F452-K468 HydrophobicContact CD2-CG 4.07Å; F452-K468 HydrophobicContact CE2-CB 4.48Å; F452-K468 HydrophobicContact CE2-CG 4.09Å; F452-K468 HydrophobicContact CG-CB 4.25Å; F452-F471 HydrophobicContact CD1-CB 4.46Å; F452-F471 HydrophobicContact CE1-CB 3.62Å; F452-F471 HydrophobicContact CE1-CD1 4.12Å; F452-F471 AromaticContact CE1-CD2 3.81Å; F452-F471 HydrophobicContact CE1-CD2 3.81Å; F452-F471 AromaticContact CE1-CG 3.56Å; F452-F471 HydrophobicContact CE1-CG 3.56Å; F452-F471 HydrophobicContact CZ-CB 4.08Å; F452-F471 AromaticContact CZ-CD1 3.87Å; F452-F471 HydrophobicContact CZ-CD1 3.87Å; F452-F471 HydrophobicContact CZ-CD2 4.32Å; F452-F471 HydrophobicContact CZ-CE1 4.44Å; F452-F471 AromaticContact CZ-CG 3.82Å; F452-F471 HydrophobicContact CZ-CG 3.82Å
453S96Very high94.6Very high44 Ų4440.5 Ų40.531%0.30823%0.229SC..Hα-helixtrans-77.8-54.4174.9-135.80000111.1D451 I455 C456 Q457 R464D451-S453 PolarHBondContact O-N 2.66Å; D451-S453 VanDerWaalsContact O-N 3.16Å; D451-S453 WeakPolarHBondContact OD1-CA 3.31Å; D451-S453 WeakPolarHBondContact OD1-CB 3.33Å; D451-S453 PolarHBondContact OD1-N 3.33Å; S453-I455 VanDerWaalsContact C-N 3.35Å; S453-I455 PolarHBondContact O-N 2.9Å; S453-C456 WeakPolarHBondContact O-CA 3.2Å; S453-C456 WeakPolarHBondContact O-CB 3.43Å; S453-C456 PolarHBondContact O-N 3.48Å; S453-Q457 PolarHBondContact O-N 2.97Å; S453-R464 VanDerWaalsContact CB-CZ 3.46Å; S453-R464 VanDerWaalsContact OG-CZ 3.26Å; S453-R464 PolarHBondContact OG-NE 3.18Å; S453-R464 PolarHBondContact OG-NH1 2.89Å
454M95.3Very high94.6Very high61 Ų6145.9 Ų45.930%0.325%0.247SC..Hα-helixtrans-57.5-44.7171.6-179.361.359.100111.7V448 D451 C456 Q457 L458 L492V448-M454 HydrophobicContact CG1-CB 3.83Å; V448-M454 HydrophobicContact CG1-CG 3.76Å; V448-M454 HydrophobicContact CG2-CG 3.84Å; D451-M454 HydrophobicContact CB-CB 4.21Å; D451-M454 PolarHBondContact O-N 2.88Å; D451-M454 WeakPolarHBondContact OD2-CB 3.44Å; D451-M454 PolarHBondContact OD2-N 2.81Å; M454-C456 PolarHBondContact O-N 2.94Å; M454-Q457 WeakPolarHBondContact O-CB 3.43Å; M454-Q457 PolarHBondContact O-N 3.11Å; M454-Q457 VanDerWaalsContact O-N 3.08Å; M454-L458 PolarHBondContact O-N 2.86Å; M454-L492 HydrophobicContact CG-CD1 4.5Å
455I95.6Very high94.5Very high0 Ų049.4 Ų49.40%027%0.272CS..Hα-helixtrans-62.5-29.9174.7-62.8168.5000111.7A444 V445 V448 D451 S453 Q457 L458 F459 I467A444-I455 HydrophobicContact CB-CG1 4.26Å; A444-I455 HydrophobicContact CB-CG2 3.94Å; V445-I455 HydrophobicContact CG2-CD1 4.1Å; V448-I455 HydrophobicContact CB-CD1 4.18Å; V448-I455 HydrophobicContact CB-CG1 3.76Å; V448-I455 HydrophobicContact CG1-CD1 4.39Å; V448-I455 HydrophobicContact CG1-CG1 3.93Å; V448-I455 HydrophobicContact CG2-CG1 3.8Å; D451-I455 WeakPolarHBondContact O-CG1 3.39Å; D451-I455 PolarHBondContact O-N 3.25Å; S453-I455 VanDerWaalsContact C-N 3.35Å; S453-I455 PolarHBondContact O-N 2.9Å; I455-Q457 VanDerWaalsContact C-N 3.32Å; I455-Q457 PolarHBondContact O-N 3.25Å; I455-L458 PolarHBondContact O-N 3.14Å; I455-F459 HydrophobicContact CG2-CD2 4Å; I455-F459 HydrophobicContact CG2-CE2 3.96Å; I455-F459 WeakPolarHBondContact O-CD2 3.43Å; I455-I467 HydrophobicContact CB-CG2 3.97Å; I455-I467 HydrophobicContact CG2-CD1 4.27Å; I455-I467 HydrophobicContact CG2-CG1 4.33Å; I455-I467 HydrophobicContact CG2-CG2 3.5Å
456C95.3Very high94.5Very high32 Ų3251.1 Ų51.122%0.21628%0.28CS..Hα-helixtrans-64.7-35.8174.9-170.30000112.4F452 S453 M454 L458 F459 R462 R464F452-C456 WeakPolarHBondContact O-CB 3.23Å; F452-C456 PolarHBondContact O-N 3.31Å; F452-C456 VanDerWaalsContact O-N 3.16Å; S453-C456 WeakPolarHBondContact O-CA 3.2Å; S453-C456 WeakPolarHBondContact O-CB 3.43Å; S453-C456 PolarHBondContact O-N 3.48Å; M454-C456 PolarHBondContact O-N 2.94Å; C456-L458 VanDerWaalsContact C-N 3.31Å; C456-F459 PolarHBondContact O-N 3.3Å; C456-R462 PolarHBondContact SG-O 2.61Å; C456-R464 HydrophobicContact CB-CB 4.04Å; C456-R464 PolarHBondContact SG-N 2.81Å
457Q94.2Very high94.5Very high141 Ų14151 Ų5166%0.65928%0.279SS*.Hα-helixtrans-67.7-33.4177.9-66.2170-40.500111.5S453 M454 I455 F459S453-Q457 PolarHBondContact O-N 2.97Å; M454-Q457 WeakPolarHBondContact O-CB 3.43Å; M454-Q457 PolarHBondContact O-N 3.11Å; M454-Q457 VanDerWaalsContact O-N 3.08Å; I455-Q457 VanDerWaalsContact C-N 3.32Å; I455-Q457 PolarHBondContact O-N 3.25Å; Q457-F459 PolarHBondContact O-N 2.6Å
458L93.3Very high94.6Very high4 Ų454.4 Ų54.42%0.02129%0.293CS..THydrogen-bonded Turntrans-69.2-11.4174.8-60.9-179.5000114.5A444 V448 M454 I455 C456 I494 F497 L501A444-L458 HydrophobicContact CB-CD1 4.17Å; V448-L458 HydrophobicContact CG2-CD1 3.82Å; M454-L458 PolarHBondContact O-N 2.86Å; I455-L458 PolarHBondContact O-N 3.14Å; C456-L458 VanDerWaalsContact C-N 3.31Å; L458-I494 HydrophobicContact CD2-CB 4.42Å; L458-I494 HydrophobicContact CD2-CG1 4.29Å; L458-I494 HydrophobicContact CD2-CG2 4Å; L458-F497 HydrophobicContact CB-CD1 3.81Å; L458-F497 HydrophobicContact CB-CE1 3.71Å; L458-F497 HydrophobicContact CB-CZ 4.45Å; L458-F497 HydrophobicContact CD1-CD1 4.37Å; L458-F497 HydrophobicContact CD1-CE1 4.5Å; L458-F497 HydrophobicContact CD1-CG 4.44Å; L458-F497 HydrophobicContact CD2-CD1 4.21Å; L458-F497 HydrophobicContact CD2-CG 4.47Å; L458-F497 HydrophobicContact CG-CD1 4.36Å; L458-F497 WeakPolarHBondContact O-CE1 3.31Å; L458-L501 VanDerWaalsContact O-CD2 3.31Å; L458-L501 WeakPolarHBondContact O-CD2 3.16Å
459F93.4Very high94.6Very high5 Ų558 Ų582%0.02231%0.312CS..  trans-126.886.8179.8-73.3-82.4000111.6E437 M440 F441 A444 I455 C456 Q457 H461 R462 I467 F497 L501E437-F459 HydrophobicContact CG-CE1 4.42Å; M440-F459 HydrophobicContact CB-CE1 4.25Å; M440-F459 HydrophobicContact CB-CZ 4.15Å; F441-F459 HydrophobicContact CB-CZ 4.23Å; A444-F459 HydrophobicContact CB-CE2 4Å; I455-F459 HydrophobicContact CG2-CD2 4Å; I455-F459 HydrophobicContact CG2-CE2 3.96Å; I455-F459 WeakPolarHBondContact O-CD2 3.43Å; C456-F459 PolarHBondContact O-N 3.3Å; Q457-F459 PolarHBondContact O-N 2.6Å; F459-H461 PolarHBondContact O-N 3.01Å; F459-R462 HydrophobicContact CB-CB 3.79Å; F459-R462 HydrophobicContact CB-CG 4.06Å; F459-R462 HydrophobicContact CG-CG 4.49Å; F459-R462 PolarHBondContact O-N 3.4Å; F459-I467 HydrophobicContact CB-CD1 4.49Å; F459-I467 HydrophobicContact CD2-CD1 3.95Å; F459-I467 HydrophobicContact CG-CD1 4.4Å; F459-F497 HydrophobicContact CE1-CE1 4.47Å; F459-F497 HydrophobicContact CE1-CZ 4.37Å; F459-F497 HydrophobicContact CE2-CE1 4.26Å; F459-F497 AromaticContact CE2-CZ 3.93Å; F459-F497 HydrophobicContact CE2-CZ 3.93Å; F459-F497 HydrophobicContact CZ-CE1 4.17Å; F459-F497 AromaticContact CZ-CZ 3.73Å; F459-F497 HydrophobicContact CZ-CZ 3.73Å; F459-L501 HydrophobicContact CD1-CD1 4.09Å; F459-L501 HydrophobicContact CD1-CD2 3.63Å; F459-L501 HydrophobicContact CE1-CD1 3.8Å; F459-L501 HydrophobicContact CE1-CD2 4.05Å; F459-L501 HydrophobicContact CG-CD2 4.34Å
460P90.2Very high94.7Very high108 Ų10858.1 Ų58.170%0.70131%0.31SS*.THydrogen-bonded Turntrans-57.3-9.3-178.1-27.535.5000116.4
461H88.9Confident94.8Very high134 Ų13454.6 Ų54.662%0.6229%0.287SS*.THydrogen-bonded Turntrans-115.811.2179.4-61.5-20000113.7F459F459-H461 PolarHBondContact O-N 3.01Å
462R93.3Very high94.8Very high11 Ų1156.6 Ų56.64%0.04229%0.293CS..  trans-132.2132.1-178.9-64.2-62-173.5170.41.9112.5K431 P432 W433 E437 C456 F459 E466 I467K431-R462 PolarHBondContact O-NH1 2.98Å; K431-R462 PolarHBondContact O-NH2 3.39Å; P432-R462 PolarHBondContact O-NH2 3.29Å; W433-R462 HydrophobicContact CH2-CG 4.32Å; W433-R462 HydrophobicContact CZ2-CG 4.42Å; E437-R462 VanDerWaalsContact CD-NH2 3.34Å; E437-R462 IonicContact OE1-CZ 2.87Å; E437-R462 IonicContact OE1-NE 3.2Å; E437-R462 PolarHBondContact OE1-NE 3.02Å; E437-R462 IonicContact OE1-NH2 2.71Å; E437-R462 PolarHBondContact OE1-NH2 3Å; E437-R462 IonicContact OE2-NH2 2.64Å; E437-R462 PolarHBondContact OE2-NH2 3.16Å; C456-R462 PolarHBondContact SG-O 2.61Å; F459-R462 HydrophobicContact CB-CB 3.79Å; F459-R462 HydrophobicContact CB-CG 4.06Å; F459-R462 HydrophobicContact CG-CG 4.49Å; F459-R462 PolarHBondContact O-N 3.4Å; R462-E466 VanDerWaalsContact CA-OE2 3.3Å; R462-E466 WeakPolarHBondContact CA-OE2 3.39Å; R462-E466 WeakPolarHBondContact CD-OE2 3.4Å; R462-E466 IonicContact CZ-OE1 3.8Å; R462-E466 IonicContact NH1-OE1 2.57Å; R462-E466 PolarHBondContact NH1-OE1 3.2Å; R462-I467 HydrophobicContact CB-CD1 3.79Å; R462-I467 HydrophobicContact CG-CD1 4.41Å
463G94.2Very high94.8Very high33 Ų3359 Ų5934%0.3430%0.303SS..  trans-82.1151.4173.500000113.2S465 E466 I467G463-S465 PolarHBondContact O-N 3.37Å; G463-E466 PolarHBondContact N-OE2 2.92Å; G463-E466 WeakPolarHBondContact O-CA 3.49Å; G463-E466 WeakPolarHBondContact O-CB 3.49Å; G463-E466 PolarHBondContact O-N 3.06Å; G463-I467 PolarHBondContact O-N 3.36Å; G463-I467 VanDerWaalsContact O-N 3.13Å
464R95.6Very high94.9Very high136 Ų13657.3 Ų57.351%0.51329%0.29SS..Hα-helixtrans-48.4-34.8176.7-178170.9-171.2-168.25113.7D451 F452 S453 C456 I467 K468D451-R464 IonicContact OD1-NH2 3.27Å; F452-R464 HydrophobicContact CB-CG 4.12Å; F452-R464 WeakPolarHBondContact O-CG 3.26Å; S453-R464 VanDerWaalsContact CB-CZ 3.46Å; S453-R464 VanDerWaalsContact OG-CZ 3.26Å; S453-R464 PolarHBondContact OG-NE 3.18Å; S453-R464 PolarHBondContact OG-NH1 2.89Å; C456-R464 HydrophobicContact CB-CB 4.04Å; C456-R464 PolarHBondContact SG-N 2.81Å; R464-I467 PolarHBondContact O-N 3.39Å; R464-K468 WeakPolarHBondContact O-CB 3.47Å; R464-K468 PolarHBondContact O-N 3.18Å
465S94.8Very high94.9Very high75 Ų7558.7 Ų58.752%0.52430%0.296SS..Hα-helixtrans-68-35.5174.4-70.50000113.5G463 N469G463-S465 PolarHBondContact O-N 3.37Å; S465-N469 VanDerWaalsContact O-CB 3.27Å; S465-N469 WeakPolarHBondContact O-CB 3.39Å; S465-N469 PolarHBondContact O-N 3.4Å; S465-N469 PolarHBondContact O-ND2 3.07Å; S465-N469 PolarHBondContact O-OD1 3.26Å
466E95.1Very high95Very high37 Ų3768 Ų6817%0.17333%0.331CS..Hα-helixtrans-69.7-42.6173.3-61.5-179.296.100111.2S430 R462 G463 N469 K470S430-E466 WeakPolarHBondContact CA-OE1 3.3Å; S430-E466 VanDerWaalsContact CB-OE1 3.3Å; S430-E466 WeakPolarHBondContact CB-OE1 3.33Å; S430-E466 PolarHBondContact OG-OE1 3.47Å; R462-E466 VanDerWaalsContact CA-OE2 3.3Å; R462-E466 WeakPolarHBondContact CA-OE2 3.39Å; R462-E466 WeakPolarHBondContact CD-OE2 3.4Å; R462-E466 IonicContact CZ-OE1 3.8Å; R462-E466 IonicContact NH1-OE1 2.57Å; R462-E466 PolarHBondContact NH1-OE1 3.2Å; G463-E466 PolarHBondContact N-OE2 2.92Å; G463-E466 WeakPolarHBondContact O-CA 3.49Å; G463-E466 WeakPolarHBondContact O-CB 3.49Å; G463-E466 PolarHBondContact O-N 3.06Å; E466-N469 PolarHBondContact O-N 3.47Å; E466-K470 VanDerWaalsContact O-CB 3.3Å; E466-K470 WeakPolarHBondContact O-CB 3.31Å; E466-K470 PolarHBondContact O-N 3.22Å
467I96.8Very high95.1Very high0 Ų072 Ų720%035%0.346CS..Hα-helixtrans-58-49.6174.8-55.4-53.2000110.6W433 F441 F452 I455 F459 R462 G463 R464 N469 K470 F471W433-I467 HydrophobicContact CH2-CD1 3.83Å; W433-I467 HydrophobicContact CZ2-CD1 4.22Å; F441-I467 HydrophobicContact CE2-CG2 4.17Å; F452-I467 HydrophobicContact CB-CG2 4.16Å; F452-I467 HydrophobicContact CD1-CG2 3.98Å; F452-I467 HydrophobicContact CG-CG2 4.49Å; I455-I467 HydrophobicContact CB-CG2 3.97Å; I455-I467 HydrophobicContact CG2-CD1 4.27Å; I455-I467 HydrophobicContact CG2-CG1 4.33Å; I455-I467 HydrophobicContact CG2-CG2 3.5Å; F459-I467 HydrophobicContact CB-CD1 4.49Å; F459-I467 HydrophobicContact CD2-CD1 3.95Å; F459-I467 HydrophobicContact CG-CD1 4.4Å; R462-I467 HydrophobicContact CB-CD1 3.79Å; R462-I467 HydrophobicContact CG-CD1 4.41Å; G463-I467 PolarHBondContact O-N 3.36Å; G463-I467 VanDerWaalsContact O-N 3.13Å; R464-I467 PolarHBondContact O-N 3.39Å; I467-N469 VanDerWaalsContact C-N 3.34Å; I467-N469 PolarHBondContact O-N 3.46Å; I467-K470 WeakPolarHBondContact O-CB 3.48Å; I467-K470 PolarHBondContact O-N 2.93Å; I467-F471 PolarHBondContact O-N 3.16Å
468K96.1Very high95.2Very high89 Ų8967.5 Ų67.539%0.38733%0.327SS..Hα-helixtrans-60.1-41.7176-175.9-177.470.4-171.60112.3F452 R464 K472F452-K468 HydrophobicContact CD2-CB 4.07Å; F452-K468 HydrophobicContact CD2-CG 4.07Å; F452-K468 HydrophobicContact CE2-CB 4.48Å; F452-K468 HydrophobicContact CE2-CG 4.09Å; F452-K468 HydrophobicContact CG-CB 4.25Å; R464-K468 WeakPolarHBondContact O-CB 3.47Å; R464-K468 PolarHBondContact O-N 3.18Å; K468-K472 WeakPolarHBondContact O-CB 3.46Å; K468-K472 WeakPolarHBondContact O-CG 3.35Å; K468-K472 PolarHBondContact O-N 2.87Å
469N95.8Very high95.3Very high101 Ų10170.2 Ų70.254%0.5435%0.346SS..Hα-helixtrans-70.1-34.1178.6-72.2-10.2000112.1S465 E466 I467 K473S465-N469 VanDerWaalsContact O-CB 3.27Å; S465-N469 WeakPolarHBondContact O-CB 3.39Å; S465-N469 PolarHBondContact O-N 3.4Å; S465-N469 PolarHBondContact O-ND2 3.07Å; S465-N469 PolarHBondContact O-OD1 3.26Å; E466-N469 PolarHBondContact O-N 3.47Å; I467-N469 VanDerWaalsContact C-N 3.34Å; I467-N469 PolarHBondContact O-N 3.46Å; N469-K473 WeakPolarHBondContact O-CB 3.47Å; N469-K473 PolarHBondContact O-N 3.02Å; N469-K473 VanDerWaalsContact O-N 3.09Å
470K96.5Very high95.5Very high12 Ų1277 Ų775%0.05237%0.372CS..Hα-helixtrans-64.7-51.6172.4178.161.4167.8177.30110.6W433 T438 F441 E466 I467 K472 K473 E474W433-K470 HydrophobicContact CD2-CB 4.47Å; W433-K470 HydrophobicContact CD2-CD 3.63Å; W433-K470 HydrophobicContact CD2-CG 3.98Å; W433-K470 HydrophobicContact CE3-CD 4.02Å; W433-K470 HydrophobicContact CE3-CG 4.14Å; W433-K470 HydrophobicContact CG-CD 3.92Å; W433-K470 HydrophobicContact CH2-CB 4.17Å; W433-K470 HydrophobicContact CH2-CG 3.9Å; W433-K470 HydrophobicContact CZ2-CB 3.56Å; W433-K470 HydrophobicContact CZ2-CD 4.27Å; W433-K470 HydrophobicContact CZ2-CG 3.7Å; W433-K470 HydrophobicContact CZ3-CD 4.49Å; W433-K470 HydrophobicContact CZ3-CG 4.12Å; T438-K470 PolarHBondContact OG1-NZ 3.27Å; F441-K470 HydrophobicContact CD1-CG 3.92Å; F441-K470 HydrophobicContact CD2-CG 3.87Å; F441-K470 HydrophobicContact CE1-CG 3.96Å; F441-K470 HydrophobicContact CE2-CB 4.3Å; F441-K470 HydrophobicContact CE2-CG 3.9Å; F441-K470 HydrophobicContact CG-CG 3.89Å; F441-K470 HydrophobicContact CZ-CG 3.96Å; E466-K470 VanDerWaalsContact O-CB 3.3Å; E466-K470 WeakPolarHBondContact O-CB 3.31Å; E466-K470 PolarHBondContact O-N 3.22Å; I467-K470 WeakPolarHBondContact O-CB 3.48Å; I467-K470 PolarHBondContact O-N 2.93Å; K470-K472 PolarHBondContact O-N 3.4Å; K470-K473 WeakPolarHBondContact O-CA 3.17Å; K470-K473 WeakPolarHBondContact O-CB 3.3Å; K470-K473 PolarHBondContact O-N 2.99Å; K470-E474 HydrophobicContact CD-CG 3.94Å; K470-E474 WeakPolarHBondContact CE-OE1 3.37Å; K470-E474 HydrophobicContact CG-CG 4.39Å; K470-E474 IonicContact NZ-OE1 3.58Å; K470-E474 PolarHBondContact NZ-OE1 2.58Å; K470-E474 WeakPolarHBondContact O-CG 3.44Å; K470-E474 PolarHBondContact O-N 3.21Å
471F97.2Very high95.8Very high17 Ų1775.9 Ų75.98%0.07535%0.354CS..Hα-helixtrans-52.7-54.5174.2-174.9-85.3000111.2F441 V445 F452 I467 K473 E474 E475 I482 F486F441-F471 HydrophobicContact CE2-CB 4.41Å; F441-F471 HydrophobicContact CZ-CB 3.89Å; F441-F471 HydrophobicContact CZ-CD2 4.14Å; V445-F471 HydrophobicContact CG2-CD2 4.46Å; F452-F471 HydrophobicContact CD1-CB 4.46Å; F452-F471 HydrophobicContact CE1-CB 3.62Å; F452-F471 HydrophobicContact CE1-CD1 4.12Å; F452-F471 AromaticContact CE1-CD2 3.81Å; F452-F471 HydrophobicContact CE1-CD2 3.81Å; F452-F471 AromaticContact CE1-CG 3.56Å; F452-F471 HydrophobicContact CE1-CG 3.56Å; F452-F471 HydrophobicContact CZ-CB 4.08Å; F452-F471 AromaticContact CZ-CD1 3.87Å; F452-F471 HydrophobicContact CZ-CD1 3.87Å; F452-F471 HydrophobicContact CZ-CD2 4.32Å; F452-F471 HydrophobicContact CZ-CE1 4.44Å; F452-F471 AromaticContact CZ-CG 3.82Å; F452-F471 HydrophobicContact CZ-CG 3.82Å; I467-F471 PolarHBondContact O-N 3.16Å; F471-K473 PolarHBondContact O-N 2.86Å; F471-E474 PolarHBondContact O-N 3.03Å; F471-E475 HydrophobicContact CE1-CB 4.46Å; F471-E475 WeakPolarHBondContact O-CB 3.43Å; F471-E475 PolarHBondContact O-N 3.13Å; F471-I482 HydrophobicContact CD2-CD1 4.05Å; F471-I482 HydrophobicContact CE2-CD1 4.07Å; F471-I482 HydrophobicContact CE2-CG2 3.81Å; F471-I482 HydrophobicContact CZ-CG2 3.9Å; F471-F486 HydrophobicContact CE2-CE2 4.04Å; F471-F486 AromaticContact CE2-CZ 3.79Å; F471-F486 HydrophobicContact CE2-CZ 3.79Å; F471-F486 HydrophobicContact CZ-CE2 4.06Å; F471-F486 HydrophobicContact CZ-CZ 4.03Å
472K97.1Very high96.2Very high108 Ų10869.8 Ų69.847%0.4733%0.325SS..Hα-helixtrans-64.4-9.8177.7-71.5-161172.9-156.70114.8K468 K470 R476K468-K472 WeakPolarHBondContact O-CB 3.46Å; K468-K472 WeakPolarHBondContact O-CG 3.35Å; K468-K472 PolarHBondContact O-N 2.87Å; K470-K472 PolarHBondContact O-N 3.4Å; K472-R476 PolarHBondContact O-NE 3.03Å; K472-R476 PolarHBondContact O-NH2 3.23Å
473K97Very high96.3Very high92 Ų9272.4 Ų72.440%0.434%0.34SS..Hα-helixtrans-92.4-50.7172.5-171.9-178.7-174.6-78.20110.4N469 K470 F471 E475 R476 E477N469-K473 WeakPolarHBondContact O-CB 3.47Å; N469-K473 PolarHBondContact O-N 3.02Å; N469-K473 VanDerWaalsContact O-N 3.09Å; K470-K473 WeakPolarHBondContact O-CA 3.17Å; K470-K473 WeakPolarHBondContact O-CB 3.3Å; K470-K473 PolarHBondContact O-N 2.99Å; F471-K473 PolarHBondContact O-N 2.86Å; K473-E475 VanDerWaalsContact C-N 3.29Å; K473-E475 PolarHBondContact O-N 3.47Å; K473-R476 PolarHBondContact O-N 3.36Å; K473-E477 WeakPolarHBondContact CE-OE1 3.48Å; K473-E477 VanDerWaalsContact CG-OE1 3.29Å; K473-E477 WeakPolarHBondContact CG-OE1 3.35Å; K473-E477 IonicContact NZ-OE1 2.58Å; K473-E477 PolarHBondContact NZ-OE1 3.48Å; K473-E477 IonicContact NZ-OE2 3.98Å; K473-E477 PolarHBondContact NZ-OE2 2.88Å; K473-E477 PolarHBondContact O-N 2.57Å
474E96.7Very high96.5Very high8 Ų875.3 Ų75.34%0.03734%0.344CS..Hα-helixtrans-62.5-35.3177.1-62.6-49.5137.200112F441 Y442 K470 F471 R476 E477 N478 S479 I482F441-E474 HydrophobicContact CE1-CB 4.46Å; F441-E474 HydrophobicContact CE1-CG 4.06Å; Y442-E474 HydrophobicContact CE1-CB 4.43Å; Y442-E474 WeakPolarHBondContact OH-CB 3.34Å; Y442-E474 WeakPolarHBondContact OH-CG 3.44Å; Y442-E474 PolarHBondContact OH-OE2 3.17Å; K470-E474 HydrophobicContact CD-CG 3.94Å; K470-E474 WeakPolarHBondContact CE-OE1 3.37Å; K470-E474 HydrophobicContact CG-CG 4.39Å; K470-E474 IonicContact NZ-OE1 3.58Å; K470-E474 PolarHBondContact NZ-OE1 2.58Å; K470-E474 WeakPolarHBondContact O-CG 3.44Å; K470-E474 PolarHBondContact O-N 3.21Å; F471-E474 PolarHBondContact O-N 3.03Å; E474-R476 PolarHBondContact O-N 2.95Å; E474-E477 PolarHBondContact O-N 3.22Å; E474-N478 CarbonylContact O-C 3.6Å; E474-N478 WeakPolarHBondContact O-CA 3.49Å; E474-N478 PolarHBondContact O-N 2.81Å; E474-N478 PolarHBondContact OE2-ND2 3.37Å; E474-S479 PolarHBondContact O-N 3.32Å; E474-I482 HydrophobicContact CB-CD1 3.92Å; E474-I482 HydrophobicContact CB-CG1 4.04Å
475E96.5Very high96.5Very high89 Ų8969.2 Ų69.242%0.41632%0.322SS..Hα-helixtrans-56-33.7170.4178.3-178-125.700112.9F471 K473 S479F471-E475 HydrophobicContact CE1-CB 4.46Å; F471-E475 WeakPolarHBondContact O-CB 3.43Å; F471-E475 PolarHBondContact O-N 3.13Å; K473-E475 VanDerWaalsContact C-N 3.29Å; K473-E475 PolarHBondContact O-N 3.47Å; E475-S479 VanDerWaalsContact O-CB 3.25Å; E475-S479 WeakPolarHBondContact O-CB 3.39Å
476R97.4Very high96.5Very high195 Ų19569.2 Ų69.274%0.73631%0.313SS*.Hα-helixtrans-94.6-29.6-179.1-81.7178.8-75.9163.7-2.6114.5K472 K473 E474K472-R476 PolarHBondContact O-NE 3.03Å; K472-R476 PolarHBondContact O-NH2 3.23Å; K473-R476 PolarHBondContact O-N 3.36Å; E474-R476 PolarHBondContact O-N 2.95Å
477E96.6Very high96.5Very high116 Ų11675.7 Ų75.754%0.54234%0.336SS..Hα-helixtrans-98.6-29.4-177.9-69.4176.7-154.400112.9K473 E474K473-E477 WeakPolarHBondContact CE-OE1 3.48Å; K473-E477 VanDerWaalsContact CG-OE1 3.29Å; K473-E477 WeakPolarHBondContact CG-OE1 3.35Å; K473-E477 IonicContact NZ-OE1 2.58Å; K473-E477 PolarHBondContact NZ-OE1 3.48Å; K473-E477 IonicContact NZ-OE2 3.98Å; K473-E477 PolarHBondContact NZ-OE2 2.88Å; K473-E477 PolarHBondContact O-N 2.57Å; E474-E477 PolarHBondContact O-N 3.22Å
478N96.3Very high96.4Very high48 Ų4879.5 Ų79.526%0.25735%0.353SS..  trans-143.937.9-167.6-68.7-56.8000112.4Y442 E474 W480 R481Y442-N478 WeakPolarHBondContact OH-CB 3.43Å; E474-N478 CarbonylContact O-C 3.6Å; E474-N478 WeakPolarHBondContact O-CA 3.49Å; E474-N478 PolarHBondContact O-N 2.81Å; E474-N478 PolarHBondContact OE2-ND2 3.37Å; N478-W480 PolarHBondContact O-N 3.41Å; N478-R481 HydrophobicContact CB-CB 4.42Å; N478-R481 HydrophobicContact CB-CG 4.34Å; N478-R481 WeakPolarHBondContact O-CB 3.42Å; N478-R481 PolarHBondContact O-N 2.7Å
479S96.6Very high96.3Very high60 Ų6084 Ų8442%0.4237%0.368SS..Hα-helixtrans-50-39.8-172.299.80000112.9E474 E475 R481 I482 D483E474-S479 PolarHBondContact O-N 3.32Å; E475-S479 VanDerWaalsContact O-CB 3.25Å; E475-S479 WeakPolarHBondContact O-CB 3.39Å; S479-R481 PolarHBondContact O-N 3.06Å; S479-I482 CarbonylContact O-C 3.58Å; S479-I482 WeakPolarHBondContact O-CA 3.39Å; S479-I482 WeakPolarHBondContact O-CB 3.41Å; S479-I482 PolarHBondContact O-N 2.83Å; S479-D483 PolarHBondContact O-N 2.93Å; S479-D483 PolarHBondContact OG-OD2 3.37Å
480W96.9Very high96.1Very high149 Ų14985.4 Ų85.456%0.56437%0.366SS*.Hα-helixtrans-54.1-29.1177.369.8-91.5000114.5N478 K484 R487N478-W480 PolarHBondContact O-N 3.41Å; W480-K484 VanDerWaalsContact O-CB 3.23Å; W480-K484 WeakPolarHBondContact O-CB 3.15Å; W480-K484 PolarHBondContact O-N 3.46Å; W480-R487 PolarHBondContact O-NH2 2.96Å
481R96.6Very high96Very high84 Ų8494.2 Ų94.232%0.31740%0.404SS..Hα-helixtrans-77.9-37.2174-69.2-170.9166.7-139.32.7112.3D439 Y442 N478 S479 K484 A485D439-R481 IonicContact OD1-NH1 2.87Å; D439-R481 PolarHBondContact OD1-NH1 2.95Å; Y442-R481 HydrophobicContact CD1-CB 3.96Å; Y442-R481 HydrophobicContact CE1-CB 3.28Å; Y442-R481 HydrophobicContact CE1-CG 4.39Å; Y442-R481 HydrophobicContact CE2-CB 4.22Å; Y442-R481 VanDerWaalsContact CZ-CB 3.44Å; Y442-R481 VanDerWaalsContact CZ-CD 3.47Å; Y442-R481 WeakPolarHBondContact OH-CD 3.43Å; N478-R481 HydrophobicContact CB-CB 4.42Å; N478-R481 HydrophobicContact CB-CG 4.34Å; N478-R481 WeakPolarHBondContact O-CB 3.42Å; N478-R481 PolarHBondContact O-N 2.7Å; S479-R481 PolarHBondContact O-N 3.06Å; R481-K484 WeakPolarHBondContact O-CB 3.2Å; R481-K484 PolarHBondContact O-N 3.17Å; R481-A485 PolarHBondContact O-N 2.94Å
482I97.1Very high95.7Very high5 Ų597.2 Ų97.23%0.02642%0.42CS..Hα-helixtrans-64.2-48.9172.9-65.2-68000109.1F441 Y442 F471 E474 S479 K484 A485 F486F441-I482 HydrophobicContact CE1-CD1 4.04Å; F441-I482 HydrophobicContact CZ-CD1 4.45Å; Y442-I482 HydrophobicContact CD1-CD1 4.23Å; Y442-I482 HydrophobicContact CE1-CD1 3.65Å; Y442-I482 HydrophobicContact CE1-CG1 4.02Å; F471-I482 HydrophobicContact CD2-CD1 4.05Å; F471-I482 HydrophobicContact CE2-CD1 4.07Å; F471-I482 HydrophobicContact CE2-CG2 3.81Å; F471-I482 HydrophobicContact CZ-CG2 3.9Å; E474-I482 HydrophobicContact CB-CD1 3.92Å; E474-I482 HydrophobicContact CB-CG1 4.04Å; S479-I482 CarbonylContact O-C 3.58Å; S479-I482 WeakPolarHBondContact O-CA 3.39Å; S479-I482 WeakPolarHBondContact O-CB 3.41Å; S479-I482 PolarHBondContact O-N 2.83Å; I482-K484 PolarHBondContact O-N 3.04Å; I482-A485 PolarHBondContact O-N 2.84Å; I482-A485 VanDerWaalsContact O-N 3.11Å; I482-F486 HydrophobicContact CG2-CD2 3.79Å; I482-F486 HydrophobicContact CG2-CE2 3.37Å; I482-F486 HydrophobicContact CG2-CZ 4.34Å; I482-F486 VanDerWaalsContact O-CD2 3.28Å; I482-F486 WeakPolarHBondContact O-CD2 3.12Å; I482-F486 PolarHBondContact O-N 3.37Å
483D96.4Very high95.5Very high67 Ų6795.8 Ų95.836%0.35842%0.418SS..Hα-helixtrans-59.7-36.6174.5-50.2-28.8000111.5S479 R487S479-D483 PolarHBondContact O-N 2.93Å; S479-D483 PolarHBondContact OG-OD2 3.37Å; D483-R487 WeakPolarHBondContact O-CG 3.39Å; D483-R487 PolarHBondContact O-N 3.31Å; D483-R487 PolarHBondContact O-NE 3.1Å
484K96.6Very high95.3Very high94 Ų9495.4 Ų95.441%0.40942%0.419SS..Hα-helixtrans-64.2-46.9174.5-175-174.6175-173.90111.1W480 R481 I482 F486 R487 E488W480-K484 VanDerWaalsContact O-CB 3.23Å; W480-K484 WeakPolarHBondContact O-CB 3.15Å; W480-K484 PolarHBondContact O-N 3.46Å; R481-K484 WeakPolarHBondContact O-CB 3.2Å; R481-K484 PolarHBondContact O-N 3.17Å; I482-K484 PolarHBondContact O-N 3.04Å; K484-F486 VanDerWaalsContact C-N 3.3Å; K484-F486 PolarHBondContact O-N 3.07Å; K484-R487 VanDerWaalsContact N-NH2 3.2Å; K484-R487 PolarHBondContact O-N 3.37Å; K484-E488 WeakPolarHBondContact CE-OE1 3.33Å; K484-E488 IonicContact NZ-OE1 3.19Å; K484-E488 PolarHBondContact NZ-OE1 3.28Å; K484-E488 IonicContact NZ-OE2 3.91Å; K484-E488 PolarHBondContact O-N 3.44Å
485A96.1Very high95.1Very high7 Ų7100.4 Ų100.46%0.05844%0.443CS..Hα-helixtrans-61.5-38.3178.100000112V445 S446 R481 I482 E488V445-A485 HydrophobicContact CB-CB 4.17Å; V445-A485 HydrophobicContact CG1-CB 3.84Å; S446-A485 WeakPolarHBondContact CA-O 3.17Å; R481-A485 PolarHBondContact O-N 2.94Å; I482-A485 PolarHBondContact O-N 2.84Å; I482-A485 VanDerWaalsContact O-N 3.11Å; A485-E488 CarbonylContact O-C 3.52Å
486F95.1Very high95Very high76 Ų76102.2 Ų102.233%0.33345%0.446SS..Hα-helixtrans-70.7-31174.6-69.9-53000114.2V445 T450 F471 I482 K484 R489V445-F486 HydrophobicContact CG1-CD1 4.26Å; V445-F486 HydrophobicContact CG1-CE1 3.82Å; V445-F486 HydrophobicContact CG1-CE2 4.5Å; V445-F486 HydrophobicContact CG1-CZ 3.95Å; T450-F486 HydrophobicContact CG2-CE1 3.87Å; T450-F486 HydrophobicContact CG2-CZ 3.56Å; F471-F486 HydrophobicContact CE2-CE2 4.04Å; F471-F486 AromaticContact CE2-CZ 3.79Å; F471-F486 HydrophobicContact CE2-CZ 3.79Å; F471-F486 HydrophobicContact CZ-CE2 4.06Å; F471-F486 HydrophobicContact CZ-CZ 4.03Å; I482-F486 HydrophobicContact CG2-CD2 3.79Å; I482-F486 HydrophobicContact CG2-CE2 3.37Å; I482-F486 HydrophobicContact CG2-CZ 4.34Å; I482-F486 VanDerWaalsContact O-CD2 3.28Å; I482-F486 WeakPolarHBondContact O-CD2 3.12Å; I482-F486 PolarHBondContact O-N 3.37Å; K484-F486 VanDerWaalsContact C-N 3.3Å; K484-F486 PolarHBondContact O-N 3.07Å; F486-R489 VanDerWaalsContact O-CG 3.27Å; F486-R489 WeakPolarHBondContact O-CG 3.42Å
487R95.9Very high94.8Very high173 Ų17392.9 Ų92.965%0.65341%0.411SS*.Hα-helixtrans-71.4-44.9171.7-74.7179.8-68.3-106.2-2.4111.8W480 D483 K484 R489W480-R487 PolarHBondContact O-NH2 2.96Å; D483-R487 WeakPolarHBondContact O-CG 3.39Å; D483-R487 PolarHBondContact O-N 3.31Å; D483-R487 PolarHBondContact O-NE 3.1Å; K484-R487 VanDerWaalsContact N-NH2 3.2Å; K484-R487 PolarHBondContact O-N 3.37Å; R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 3.01Å
488E94.1Very high94.6Very high79 Ų7989.6 Ų89.637%0.36940%0.401SS..SBendtrans-83.360.8177.2-67-174.2-173.700111.5S446 K484 A485 R490S446-E488 WeakPolarHBondContact CB-O 3.38Å; S446-E488 PolarHBondContact OG-O 3.11Å; K484-E488 WeakPolarHBondContact CE-OE1 3.33Å; K484-E488 IonicContact NZ-OE1 3.19Å; K484-E488 PolarHBondContact NZ-OE1 3.28Å; K484-E488 IonicContact NZ-OE2 3.91Å; K484-E488 PolarHBondContact O-N 3.44Å; A485-E488 CarbonylContact O-C 3.52Å; E488-R490 PolarHBondContact O-N 3.42Å; E488-R490 IonicContact OE2-NH2 2.6Å; E488-R490 PolarHBondContact OE2-NH2 3.47Å
489R93.4Very high94.5Very high184 Ų18493.4 Ų93.469%0.69442%0.416SS*.  trans-63.3130.6174.5-64.1-157.369.8178.20.8110.8S446 F486 R487S446-R489 WeakPolarHBondContact O-CA 3.21Å; F486-R489 VanDerWaalsContact O-CG 3.27Å; F486-R489 WeakPolarHBondContact O-CG 3.42Å; R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 3.01Å
490R92.3Very high94.3Very high130 Ų13093 Ų9349%0.49141%0.408SS..  trans-115.8158178.4-68.2175.2-164.8-147.9-1110.7S446 M447 E488S446-R490 PolarHBondContact O-N 3.33Å; S446-R490 VanDerWaalsContact OG-CD 3.24Å; S446-R490 WeakPolarHBondContact OG-CD 3.3Å; S446-R490 VanDerWaalsContact OG-CG 3.3Å; S446-R490 WeakPolarHBondContact OG-CG 3.04Å; S446-R490 PolarHBondContact OG-NE 2.89Å; M447-R490 HydrophobicContact CG-CB 4.05Å; E488-R490 PolarHBondContact O-N 3.42Å; E488-R490 IonicContact OE2-NH2 2.6Å; E488-R490 PolarHBondContact OE2-NH2 3.47Å
491K93.2Very high94.1Very high197 Ų19786.5 Ų86.586%0.85739%0.385SS*.  trans-63.5139.9166.3-65.5-175.2179.1-177.20108.7
492L92.3Very high93.9Very high81 Ų8188 Ų8842%0.42440%0.395SS..  trans-81.3121.5177.9178.4131.7000109.6M447 V448 M454 I494M447-L492 HydrophobicContact CB-CB 4.45Å; V448-L492 HydrophobicContact CG2-CD1 3.59Å; M454-L492 HydrophobicContact CG-CD1 4.5Å; L492-I494 HydrophobicContact CD2-CD1 4.05Å; L492-I494 HydrophobicContact CD2-CG1 3.69Å; L492-I494 HydrophobicContact CG-CG1 4.44Å
493D93.1Very high93.7Very high78 Ų7895.1 Ų95.142%0.41743%0.426SS..  trans-132.3105.5175.2-177.5-20.1000108E495 Y496 F497D493-E495 PolarHBondContact OD1-N 3.39Å; D493-E495 VanDerWaalsContact OD1-N 3.13Å; D493-Y496 WeakPolarHBondContact OD1-CB 3.17Å; D493-Y496 PolarHBondContact OD1-N 3.16Å; D493-Y496 WeakPolarHBondContact OD2-CB 3.46Å; D493-F497 VanDerWaalsContact O-CB 3.3Å; D493-F497 WeakPolarHBondContact O-CB 3.35Å; D493-F497 PolarHBondContact O-N 3.19Å; D493-F497 VanDerWaalsContact O-N 3.12Å
494I91.8Very high93.4Very high83 Ų8393.7 Ų93.743%0.42642%0.418SS..Hα-helixtrans-72.6-37.3-175-56.6177000110.4L458 L492 F497 S498L458-I494 HydrophobicContact CD2-CB 4.42Å; L458-I494 HydrophobicContact CD2-CG1 4.29Å; L458-I494 HydrophobicContact CD2-CG2 4Å; L492-I494 HydrophobicContact CD2-CD1 4.05Å; L492-I494 HydrophobicContact CD2-CG1 3.69Å; L492-I494 HydrophobicContact CG-CG1 4.44Å; I494-F497 PolarHBondContact O-N 2.95Å; I494-S498 VanDerWaalsContact O-CB 3.31Å; I494-S498 WeakPolarHBondContact O-CB 3.37Å; I494-S498 PolarHBondContact O-N 3.34Å; I494-S498 PolarHBondContact O-OG 2.99Å
495E93.3Very high93Very high113 Ų11391.3 Ų91.353%0.52841%0.409SS..Hα-helixtrans-68-50-178.7-76.9-63.6122.800110.9D493 F497 S498 K499D493-E495 PolarHBondContact OD1-N 3.39Å; D493-E495 VanDerWaalsContact OD1-N 3.13Å; E495-F497 PolarHBondContact O-N 3.47Å; E495-S498 PolarHBondContact O-N 2.95Å; E495-K499 WeakPolarHBondContact O-CB 3.45Å; E495-K499 WeakPolarHBondContact O-CD 2.98Å; E495-K499 WeakPolarHBondContact O-CG 3.43Å; E495-K499 PolarHBondContact O-N 3.42Å; E495-K499 VanDerWaalsContact O-N 3.08Å; E495-K499 WeakPolarHBondContact OE2-CE 3.36Å; E495-K499 IonicContact OE2-NZ 2.83Å; E495-K499 PolarHBondContact OE2-NZ 2.98Å
496Y93.3Very high92.7Very high127 Ų12795.1 Ų95.150%0.49843%0.425SS..Hα-helixtrans-58.9-46.2173.9174.2-95.5000111.6M447 D493 S498 L500M447-Y496 HydrophobicContact CE-CD1 4.15Å; M447-Y496 HydrophobicContact CE-CE1 4.45Å; D493-Y496 WeakPolarHBondContact OD1-CB 3.17Å; D493-Y496 PolarHBondContact OD1-N 3.16Å; D493-Y496 WeakPolarHBondContact OD2-CB 3.46Å; Y496-S498 PolarHBondContact O-N 3.32Å; Y496-L500 HydrophobicContact CE1-CD2 3.85Å; Y496-L500 WeakPolarHBondContact O-CB 3.42Å; Y496-L500 PolarHBondContact O-N 3.49Å
497F94.6Very high92.4Very high0 Ų096.8 Ų96.80%043%0.433CS..Hα-helixtrans-62.4-44.4-178.9-170.8-82.5000111.8M440 L443 A444 M447 L458 F459 D493 I494 E495 L500 L501M440-F497 HydrophobicContact CB-CZ 4.24Å; M440-F497 HydrophobicContact CE-CD1 4.22Å; M440-F497 HydrophobicContact CE-CD2 3.89Å; M440-F497 HydrophobicContact CE-CE1 3.99Å; M440-F497 HydrophobicContact CE-CE2 3.65Å; M440-F497 HydrophobicContact CE-CG 4.18Å; M440-F497 HydrophobicContact CE-CZ 3.7Å; M440-F497 WeakPolarHBondContact O-CE2 3.38Å; M440-F497 WeakPolarHBondContact O-CZ 3.34Å; L443-F497 HydrophobicContact CB-CE2 4.16Å; L443-F497 HydrophobicContact CD2-CD2 3.99Å; L443-F497 HydrophobicContact CD2-CE2 4.07Å; L443-F497 HydrophobicContact CG-CD2 4.18Å; L443-F497 HydrophobicContact CG-CE2 4.08Å; A444-F497 HydrophobicContact CB-CE2 3.8Å; A444-F497 HydrophobicContact CB-CZ 3.81Å; M447-F497 HydrophobicContact SD-CD2 3.95Å; L458-F497 HydrophobicContact CB-CD1 3.81Å; L458-F497 HydrophobicContact CB-CE1 3.71Å; L458-F497 HydrophobicContact CB-CZ 4.45Å; L458-F497 HydrophobicContact CD1-CD1 4.37Å; L458-F497 HydrophobicContact CD1-CE1 4.5Å; L458-F497 HydrophobicContact CD1-CG 4.44Å; L458-F497 HydrophobicContact CD2-CD1 4.21Å; L458-F497 HydrophobicContact CD2-CG 4.47Å; L458-F497 HydrophobicContact CG-CD1 4.36Å; L458-F497 WeakPolarHBondContact O-CE1 3.31Å; F459-F497 HydrophobicContact CE1-CE1 4.47Å; F459-F497 HydrophobicContact CE1-CZ 4.37Å; F459-F497 HydrophobicContact CE2-CE1 4.26Å; F459-F497 AromaticContact CE2-CZ 3.93Å; F459-F497 HydrophobicContact CE2-CZ 3.93Å; F459-F497 HydrophobicContact CZ-CE1 4.17Å; F459-F497 AromaticContact CZ-CZ 3.73Å; F459-F497 HydrophobicContact CZ-CZ 3.73Å; D493-F497 VanDerWaalsContact O-CB 3.3Å; D493-F497 WeakPolarHBondContact O-CB 3.35Å; D493-F497 PolarHBondContact O-N 3.19Å; D493-F497 VanDerWaalsContact O-N 3.12Å; I494-F497 PolarHBondContact O-N 2.95Å; E495-F497 PolarHBondContact O-N 3.47Å; F497-L500 PolarHBondContact O-N 2.91Å; F497-L501 HydrophobicContact CE1-CB 4.41Å; F497-L501 HydrophobicContact CE1-CD2 4.23Å; F497-L501 WeakPolarHBondContact O-CB 3.36Å; F497-L501 PolarHBondContact O-N 2.85Å
498S92.3Very high92Very high47 Ų4789.6 Ų89.633%0.32941%0.406SS..Hα-helixtrans-65.4-49.1-178-57.10000111.5I494 E495 Y496 L500 L501 E502I494-S498 VanDerWaalsContact O-CB 3.31Å; I494-S498 WeakPolarHBondContact O-CB 3.37Å; I494-S498 PolarHBondContact O-N 3.34Å; I494-S498 PolarHBondContact O-OG 2.99Å; E495-S498 PolarHBondContact O-N 2.95Å; Y496-S498 PolarHBondContact O-N 3.32Å; S498-L500 VanDerWaalsContact C-N 3.31Å; S498-L500 PolarHBondContact O-N 2.93Å; S498-L501 PolarHBondContact O-N 2.89Å; S498-E502 PolarHBondContact O-N 2.92Å
499K93.2Very high91.7Very high128 Ų12892.4 Ų92.456%0.55741%0.414SS*.Hα-helixtrans-62.7-36.7177.6-71.8161.5178.4155.70112.2E495 K503E495-K499 WeakPolarHBondContact O-CB 3.45Å; E495-K499 WeakPolarHBondContact O-CD 2.98Å; E495-K499 WeakPolarHBondContact O-CG 3.43Å; E495-K499 PolarHBondContact O-N 3.42Å; E495-K499 VanDerWaalsContact O-N 3.08Å; E495-K499 WeakPolarHBondContact OE2-CE 3.36Å; E495-K499 IonicContact OE2-NZ 2.83Å; E495-K499 PolarHBondContact OE2-NZ 2.98Å; K499-K503 WeakPolarHBondContact O-CB 3.46Å; K499-K503 PolarHBondContact O-N 3.4Å
500L93.3Very high91.6Very high50 Ų5088.5 Ų88.526%0.26240%0.403SS..Hα-helixtrans-69.2-42.5174.3-178.259.9000112M440 L443 Y496 F497 S498 I504M440-L500 HydrophobicContact CE-CB 4.02Å; M440-L500 HydrophobicContact CE-CD2 3.9Å; M440-L500 HydrophobicContact CE-CG 3.8Å; M440-L500 HydrophobicContact SD-CD2 3.74Å; M440-L500 HydrophobicContact SD-CG 3.85Å; L443-L500 HydrophobicContact CD2-CD2 3.94Å; Y496-L500 HydrophobicContact CE1-CD2 3.85Å; Y496-L500 WeakPolarHBondContact O-CB 3.42Å; Y496-L500 PolarHBondContact O-N 3.49Å; F497-L500 PolarHBondContact O-N 2.91Å; S498-L500 VanDerWaalsContact C-N 3.31Å; S498-L500 PolarHBondContact O-N 2.93Å; L500-I504 HydrophobicContact CD1-CD1 3.9Å; L500-I504 HydrophobicContact CD1-CG1 4.39Å; L500-I504 HydrophobicContact CG-CD1 3.92Å; L500-I504 WeakPolarHBondContact O-CD1 3.46Å; L500-I504 VanDerWaalsContact O-CG1 3.23Å; L500-I504 WeakPolarHBondContact O-CG1 3.46Å; L500-I504 PolarHBondContact O-N 2.79Å; L500-I504 VanDerWaalsContact O-N 3.11Å
501L92.3Very high91.4Very high14 Ų1485.6 Ų85.67%0.07339%0.394CS..Hα-helixtrans-63.5-45178.6179.763.5000111.3M440 L458 F459 F497 S498 I504 M505M440-L501 HydrophobicContact CB-CD1 4.29Å; M440-L501 HydrophobicContact CE-CB 3.91Å; M440-L501 HydrophobicContact CG-CD1 4.21Å; L458-L501 VanDerWaalsContact O-CD2 3.31Å; L458-L501 WeakPolarHBondContact O-CD2 3.16Å; F459-L501 HydrophobicContact CD1-CD1 4.09Å; F459-L501 HydrophobicContact CD1-CD2 3.63Å; F459-L501 HydrophobicContact CE1-CD1 3.8Å; F459-L501 HydrophobicContact CE1-CD2 4.05Å; F459-L501 HydrophobicContact CG-CD2 4.34Å; F497-L501 HydrophobicContact CE1-CB 4.41Å; F497-L501 HydrophobicContact CE1-CD2 4.23Å; F497-L501 WeakPolarHBondContact O-CB 3.36Å; F497-L501 PolarHBondContact O-N 2.85Å; S498-L501 PolarHBondContact O-N 2.89Å; L501-I504 PolarHBondContact O-N 3.36Å; L501-M505 HydrophobicContact CD1-CE 4.33Å; L501-M505 HydrophobicContact CD1-CG 4.35Å; L501-M505 HydrophobicContact CG-CG 4.48Å; L501-M505 WeakPolarHBondContact O-CG 3.42Å; L501-M505 PolarHBondContact O-N 3.33Å
502E92.1Very high91.1Very high116 Ų11682 Ų8254%0.54238%0.378SS..Hα-helixtrans-60.1-51.2178.9-179156.2-127.200111.7S498 I504 M505 E506S498-E502 PolarHBondContact O-N 2.92Å; E502-I504 VanDerWaalsContact C-N 3.26Å; E502-I504 PolarHBondContact O-N 3.22Å; E502-M505 CarbonylContact O-C 3.57Å; E502-M505 WeakPolarHBondContact O-CA 3.5Å; E502-M505 WeakPolarHBondContact O-CB 3.35Å; E502-M505 PolarHBondContact O-N 3.05Å; E502-E506 WeakPolarHBondContact O-CG 3.47Å; E502-E506 PolarHBondContact O-N 2.79Å
503K93.1Very high90.9Very high153 Ų15384.5 Ų84.567%0.66539%0.386SS*.Hα-helixtrans-58-36.1176.8-172169.1-173.61680113K499 F507K499-K503 WeakPolarHBondContact O-CB 3.46Å; K499-K503 PolarHBondContact O-N 3.4Å; K503-F507 PolarHBondContact O-N 2.93Å
504I90.8Very high90.7Very high37 Ų3786.2 Ų86.219%0.1939%0.394CS..Hα-helixtrans-71.5-38.9174.2-68.6168000111.1E436 M440 L500 L501 E502 E506 F507 Q508E436-I504 HydrophobicContact CB-CG2 3.6Å; M440-I504 HydrophobicContact CG-CD1 3.74Å; M440-I504 HydrophobicContact SD-CD1 3.66Å; L500-I504 HydrophobicContact CD1-CD1 3.9Å; L500-I504 HydrophobicContact CD1-CG1 4.39Å; L500-I504 HydrophobicContact CG-CD1 3.92Å; L500-I504 WeakPolarHBondContact O-CD1 3.46Å; L500-I504 VanDerWaalsContact O-CG1 3.23Å; L500-I504 WeakPolarHBondContact O-CG1 3.46Å; L500-I504 PolarHBondContact O-N 2.79Å; L500-I504 VanDerWaalsContact O-N 3.11Å; L501-I504 PolarHBondContact O-N 3.36Å; E502-I504 VanDerWaalsContact C-N 3.26Å; E502-I504 PolarHBondContact O-N 3.22Å; I504-E506 VanDerWaalsContact C-N 3.33Å; I504-F507 PolarHBondContact O-N 3.3Å; I504-Q508 WeakPolarHBondContact O-CB 3.36Å; I504-Q508 WeakPolarHBondContact O-CG 3.4Å; I504-Q508 PolarHBondContact O-N 3.26Å
505M87.8Confident90.4Very high45 Ų4589.3 Ų89.322%0.22241%0.405CS..Hα-helixtrans-68.1-30.8174.7-71.4-57.8104.400112.7E437 L501 E502 Q508 R509E437-M505 HydrophobicContact CB-CE 4.04Å; L501-M505 HydrophobicContact CD1-CE 4.33Å; L501-M505 HydrophobicContact CD1-CG 4.35Å; L501-M505 HydrophobicContact CG-CG 4.48Å; L501-M505 WeakPolarHBondContact O-CG 3.42Å; L501-M505 PolarHBondContact O-N 3.33Å; E502-M505 CarbonylContact O-C 3.57Å; E502-M505 WeakPolarHBondContact O-CA 3.5Å; E502-M505 WeakPolarHBondContact O-CB 3.35Å; E502-M505 PolarHBondContact O-N 3.05Å; M505-Q508 HydrophobicContact CE-CG 4.21Å; M505-Q508 WeakPolarHBondContact O-CB 3.38Å; M505-R509 VanDerWaalsContact O-CG 3.31Å; M505-R509 WeakPolarHBondContact O-CG 3.35Å; M505-R509 PolarHBondContact O-N 3.22Å
506E89.8Confident89.9Confident86 Ų8686.8 Ų86.840%0.40240%0.4SS..Hα-helixtrans-66.2-53.9169.8-75.8-18015200112E502 I504 Q508 R509 E510E502-E506 WeakPolarHBondContact O-CG 3.47Å; E502-E506 PolarHBondContact O-N 2.79Å; I504-E506 VanDerWaalsContact C-N 3.33Å; E506-Q508 PolarHBondContact O-N 3.44Å; E506-R509 CarbonylContact O-C 3.58Å; E506-R509 WeakPolarHBondContact O-CA 3.3Å; E506-R509 WeakPolarHBondContact O-CB 3.36Å; E506-R509 PolarHBondContact O-N 3.41Å; E506-R509 IonicContact OE1-NH2 3.9Å; E506-E510 PolarHBondContact O-N 2.82Å
507F89.6Confident89.4Confident112 Ų11285.4 Ų85.449%0.49140%0.401SS..Hα-helixtrans-56.7-38.2175.5-172.6-119.6000111.5K503 I504 E510 K511K503-F507 PolarHBondContact O-N 2.93Å; I504-F507 PolarHBondContact O-N 3.3Å; F507-E510 PolarHBondContact O-N 3.42Å; F507-K511 HydrophobicContact CD1-CD 4.23Å; F507-K511 HydrophobicContact CE1-CD 3.93Å; F507-K511 HydrophobicContact CZ-CD 4.36Å; F507-K511 WeakPolarHBondContact O-CB 3.49Å; F507-K511 PolarHBondContact O-N 3.2Å
508Q87.1Confident88.7Confident21 Ų2189.5 Ų89.510%0.09843%0.425CS..Hα-helixtrans-59.1-44.6169.4-84-75-42.200113.2E436 I504 M505 E506 K512E436-Q508 PolarHBondContact OE1-NE2 3.01Å; E436-Q508 PolarHBondContact OE2-NE2 2.75Å; I504-Q508 WeakPolarHBondContact O-CB 3.36Å; I504-Q508 WeakPolarHBondContact O-CG 3.4Å; I504-Q508 PolarHBondContact O-N 3.26Å; M505-Q508 HydrophobicContact CE-CG 4.21Å; M505-Q508 WeakPolarHBondContact O-CB 3.38Å; E506-Q508 PolarHBondContact O-N 3.44Å; Q508-K512 WeakPolarHBondContact O-CB 3.34Å; Q508-K512 WeakPolarHBondContact O-CD 3.35Å; Q508-K512 WeakPolarHBondContact O-CG 3.48Å; Q508-K512 PolarHBondContact O-N 2.83Å; Q508-K512 VanDerWaalsContact O-N 3.16Å
509R87.8Confident87.9Confident138 Ų13888.9 Ų88.952%0.52143%0.427SS..Hα-helixtrans-62.5-47.9176.8-76.4-178.7-78.1174-4.3110.6M505 E506 K512 K513M505-R509 VanDerWaalsContact O-CG 3.31Å; M505-R509 WeakPolarHBondContact O-CG 3.35Å; M505-R509 PolarHBondContact O-N 3.22Å; E506-R509 CarbonylContact O-C 3.58Å; E506-R509 WeakPolarHBondContact O-CA 3.3Å; E506-R509 WeakPolarHBondContact O-CB 3.36Å; E506-R509 PolarHBondContact O-N 3.41Å; E506-R509 IonicContact OE1-NH2 3.9Å; R509-K512 WeakPolarHBondContact O-CB 3.49Å; R509-K512 PolarHBondContact O-N 2.78Å; R509-K513 WeakPolarHBondContact O-CG 3.49Å; R509-K513 PolarHBondContact O-N 3.27Å
510E90.1Very high87Confident103 Ų10389.3 Ų89.348%0.48143%0.428SS..Hα-helixtrans-66.3-47.7-179.7-64.9-175.3148.600113.1E506 F507 K512 K513 L514E506-E510 PolarHBondContact O-N 2.82Å; F507-E510 PolarHBondContact O-N 3.42Å; E510-K512 PolarHBondContact O-N 3.25Å; E510-K512 VanDerWaalsContact O-N 3.13Å; E510-K513 CarbonylContact O-C 3.6Å; E510-K513 WeakPolarHBondContact O-CA 3.26Å; E510-K513 WeakPolarHBondContact O-CB 3.29Å; E510-K513 PolarHBondContact O-N 2.94Å; E510-L514 WeakPolarHBondContact O-CD1 3.39Å; E510-L514 PolarHBondContact O-N 3.13Å
511K88.2Confident85.8Confident68 Ų6890.5 Ų90.530%0.29644%0.435SS..Hα-helixtrans-58.3-26.6174.9-168.9174.7-170.5173.50112E436 F507 K515E436-K511 IonicContact OE1-NZ 2.79Å; E436-K511 PolarHBondContact OE1-NZ 2.96Å; E436-K511 IonicContact OE2-NZ 3.78Å; F507-K511 HydrophobicContact CD1-CD 4.23Å; F507-K511 HydrophobicContact CE1-CD 3.93Å; F507-K511 HydrophobicContact CZ-CD 4.36Å; F507-K511 WeakPolarHBondContact O-CB 3.49Å; F507-K511 PolarHBondContact O-N 3.2Å; K511-K515 WeakPolarHBondContact O-CB 3.36Å; K511-K515 WeakPolarHBondContact O-CD 3.37Å; K511-K515 WeakPolarHBondContact O-CG 3.31Å; K511-K515 PolarHBondContact O-N 2.97Å
512K87.7Confident84.7Confident121 Ų12194.6 Ų94.653%0.52646%0.457SS..Hα-helixtrans-78.9-44169-70.7162.3-165.7160.20112.3Q508 R509 E510 K515 S516Q508-K512 WeakPolarHBondContact O-CB 3.34Å; Q508-K512 WeakPolarHBondContact O-CD 3.35Å; Q508-K512 WeakPolarHBondContact O-CG 3.48Å; Q508-K512 PolarHBondContact O-N 2.83Å; Q508-K512 VanDerWaalsContact O-N 3.16Å; R509-K512 WeakPolarHBondContact O-CB 3.49Å; R509-K512 PolarHBondContact O-N 2.78Å; E510-K512 PolarHBondContact O-N 3.25Å; E510-K512 VanDerWaalsContact O-N 3.13Å; K512-K515 PolarHBondContact O-N 3.25Å; K512-S516 PolarHBondContact O-N 2.92Å
513K88.8Confident83.4Confident135 Ų13597 Ų9759%0.58747%0.466SS*.Hα-helixtrans-54.2-53.8173.5-70.2173.5-177.9176.80110.9R509 E510 K515 S516 L517R509-K513 WeakPolarHBondContact O-CG 3.49Å; R509-K513 PolarHBondContact O-N 3.27Å; E510-K513 CarbonylContact O-C 3.6Å; E510-K513 WeakPolarHBondContact O-CA 3.26Å; E510-K513 WeakPolarHBondContact O-CB 3.29Å; E510-K513 PolarHBondContact O-N 2.94Å; K513-K515 PolarHBondContact O-N 3.01Å; K513-S516 WeakPolarHBondContact O-CB 3.43Å; K513-S516 PolarHBondContact O-N 3.06Å; K513-S516 VanDerWaalsContact O-N 3.1Å; K513-S516 PolarHBondContact O-OG 3.17Å; K513-L517 PolarHBondContact O-N 2.93Å
514L87Confident82Confident113 Ų11398.4 Ų98.459%0.59247%0.467SS*.Hα-helixtrans-58.5-47.3178.6-89.271000112.1E510 S516 L517 V518E510-L514 WeakPolarHBondContact O-CD1 3.39Å; E510-L514 PolarHBondContact O-N 3.13Å; L514-S516 VanDerWaalsContact C-N 3.26Å; L514-S516 PolarHBondContact O-N 2.8Å; L514-L517 WeakPolarHBondContact O-CB 3.26Å; L514-L517 PolarHBondContact O-N 2.87Å; L514-L517 VanDerWaalsContact O-N 3.17Å; L514-V518 WeakPolarHBondContact O-CG2 3.43Å; L514-V518 PolarHBondContact O-N 3.07Å
515K85.9Confident80.5Confident148 Ų148103.8 Ų103.864%0.64349%0.489SS*.Hα-helixtrans-59.7-35.6175.7-76.8174.6-177.5-176.10112.7K511 K512 K513 G519K511-K515 WeakPolarHBondContact O-CB 3.36Å; K511-K515 WeakPolarHBondContact O-CD 3.37Å; K511-K515 WeakPolarHBondContact O-CG 3.31Å; K511-K515 PolarHBondContact O-N 2.97Å; K512-K515 PolarHBondContact O-N 3.25Å; K513-K515 PolarHBondContact O-N 3.01Å; K515-G519 PolarHBondContact O-N 3.45Å
516S84.1Confident79.2Confident60 Ų60105.2 Ų105.242%0.4251%0.508SS..Hα-helixtrans-69.6-37.5176.684.40000112.4K512 K513 L514 G519 K520K512-S516 PolarHBondContact O-N 2.92Å; K513-S516 WeakPolarHBondContact O-CB 3.43Å; K513-S516 PolarHBondContact O-N 3.06Å; K513-S516 VanDerWaalsContact O-N 3.1Å; K513-S516 PolarHBondContact O-OG 3.17Å; L514-S516 VanDerWaalsContact C-N 3.26Å; L514-S516 PolarHBondContact O-N 2.8Å; S516-G519 PolarHBondContact O-N 3.12Å; S516-K520 WeakPolarHBondContact O-CB 3.37Å; S516-K520 WeakPolarHBondContact O-CG 3.38Å; S516-K520 PolarHBondContact O-N 3.12Å
517L82.4Confident77.8Confident99 Ų99111.4 Ų111.452%0.51853%0.528SS..Hα-helixtrans-63.8-49.8173.4-91.5154000111.7K513 L514 G519 K520 N521K513-L517 PolarHBondContact O-N 2.93Å; L514-L517 WeakPolarHBondContact O-CB 3.26Å; L514-L517 PolarHBondContact O-N 2.87Å; L514-L517 VanDerWaalsContact O-N 3.17Å; L517-G519 VanDerWaalsContact C-N 3.29Å; L517-G519 PolarHBondContact O-N 3.33Å; L517-K520 PolarHBondContact O-N 2.91Å; L517-N521 WeakPolarHBondContact O-CB 3.23Å; L517-N521 VanDerWaalsContact O-CG 3.3Å; L517-N521 PolarHBondContact O-N 3.18Å
518V79.8Confident76.3Confident85 Ų85111.3 Ų111.352%0.51554%0.536SS..Hα-helixtrans-59.9-40.5175175.60000111L514 N521 N522L514-V518 WeakPolarHBondContact O-CG2 3.43Å; L514-V518 PolarHBondContact O-N 3.07Å; V518-N521 PolarHBondContact O-N 2.86Å; V518-N522 WeakPolarHBondContact O-CB 3.5Å; V518-N522 PolarHBondContact O-N 3.47Å
519G74.9Confident74.4Confident35 Ų35118.2 Ų118.236%0.36157%0.566SS.*Hα-helixtrans-62.6-43.7175.100000113.7K515 S516 L517 N522 K523K515-G519 PolarHBondContact O-N 3.45Å; S516-G519 PolarHBondContact O-N 3.12Å; L517-G519 VanDerWaalsContact C-N 3.29Å; L517-G519 PolarHBondContact O-N 3.33Å; G519-N522 PolarHBondContact O-N 2.83Å; G519-K523 PolarHBondContact O-N 2.69Å
520K73.8Confident73Confident136 Ų136117.7 Ų117.759%0.59158%0.58SS**Hα-helixtrans-61.7-44.6173.7-76.1175.2178.5-177.20111.2S516 L517 K523 R524S516-K520 WeakPolarHBondContact O-CB 3.37Å; S516-K520 WeakPolarHBondContact O-CG 3.38Å; S516-K520 PolarHBondContact O-N 3.12Å; L517-K520 PolarHBondContact O-N 2.91Å; K520-K523 PolarHBondContact O-N 3.45Å; K520-R524 PolarHBondContact O-N 3.41Å
521N68.2Low70.8Confident76 Ų76126.3 Ų126.341%0.40662%0.616SS.*Hα-helixtrans-66.3-38.9180-69.8-8.4000112.3L517 V518 R524 K525L517-N521 WeakPolarHBondContact O-CB 3.23Å; L517-N521 VanDerWaalsContact O-CG 3.3Å; L517-N521 PolarHBondContact O-N 3.18Å; V518-N521 PolarHBondContact O-N 2.86Å; N521-R524 PolarHBondContact O-N 2.86Å; N521-K525 WeakPolarHBondContact O-CG 3.36Å; N521-K525 PolarHBondContact O-N 2.93Å
522N69Low69.9Low99 Ų99129.3 Ų129.353%0.52963%0.632SS.*Hα-helixtrans-69.5-37.3174.5-73.6-9.1000112.4V518 G519 R524 K525 A526V518-N522 WeakPolarHBondContact O-CB 3.5Å; V518-N522 PolarHBondContact O-N 3.47Å; G519-N522 PolarHBondContact O-N 2.83Å; N522-R524 VanDerWaalsContact C-N 3.34Å; N522-K525 PolarHBondContact O-N 2.92Å; N522-A526 WeakPolarHBondContact O-CB 3.33Å; N522-A526 PolarHBondContact O-N 3.04Å
523K65.7Low69Low167 Ų167129.7 Ų129.773%0.72664%0.638SS**Hα-helixtrans-62.7-38.3170.8-82.4-166.8173.4-169.60112.5G519 K520 A526 R527G519-K523 PolarHBondContact O-N 2.69Å; K520-K523 PolarHBondContact O-N 3.45Å; K523-A526 PolarHBondContact O-N 3.3Å; K523-R527 PolarHBondContact O-N 2.91Å
524R62.7Low67.9Low182 Ų182129.4 Ų129.469%0.68764%0.641SS**Hα-helixtrans-63.1-52.4172.9-75.1177.1170.4-179-5.8111.2K520 N521 N522 A526 R527 T528K520-R524 PolarHBondContact O-N 3.41Å; N521-R524 PolarHBondContact O-N 2.86Å; N522-R524 VanDerWaalsContact C-N 3.34Å; R524-A526 PolarHBondContact O-N 2.64Å; R524-R527 PolarHBondContact O-N 2.95Å; R524-T528 PolarHBondContact O-N 2.94Å; R524-T528 PolarHBondContact O-OG1 3.22Å
525K60.3Low66.8Low150 Ų150130.4 Ų130.465%0.65264%0.644SS**Hα-helixtrans-61.4-23.5177.2-72.3-173176-1710114.4N521 N522N521-K525 WeakPolarHBondContact O-CG 3.36Å; N521-K525 PolarHBondContact O-N 2.93Å; N522-K525 PolarHBondContact O-N 2.92Å
526A61.1Low65.6Low75 Ų75129.3 Ų129.362%0.6264%0.644SS**Hα-helixtrans-80.6-24173.300000113.5N522 K523 R524N522-A526 WeakPolarHBondContact O-CB 3.33Å; N522-A526 PolarHBondContact O-N 3.04Å; K523-A526 PolarHBondContact O-N 3.3Å; R524-A526 PolarHBondContact O-N 2.64Å
527R59.2Low64.3Low217 Ų217133.9 Ų133.982%0.81966%0.659SS**Hα-helixtrans-85.5-20.5174.7-86.5-173.2161.1-171.3-6.6113.7K523 R524K523-R527 PolarHBondContact O-N 2.91Å; R524-R527 PolarHBondContact O-N 2.95Å
528T59.3Low63Low110 Ų110136.4 Ų136.468%0.67567%0.669SS**SBendtrans-98.420.818058.30000113.9R524R524-T528 PolarHBondContact O-N 2.94Å; R524-T528 PolarHBondContact O-OG1 3.22Å
529K47.1Very low61.8Low166 Ų166140.3 Ų140.372%0.72268%0.68SS**  trans-93.9123.2164-72.1-159.7171.7-158.10108.7
530P57Low60.7Low126 Ų126149.1 Ų149.182%0.81871%0.707SS**  trans-61.6158.4165.628.6-33.4000110.1
531K44.6Very low59.5Low285 Ų285150.3 Ų150.3100%1.23972%0.718SS**  trans-76.10170.3-83.4-179.3174.3174.30110.7

Retrieved 531 of 531 residues in 171.3 ms (Link to these results)