A0A077ZDT5_TRITR Loading...

Polyhomeotic protein 1 like

AlphaFold DB , UniProt , Accession A0A077ZDT5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 696 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.7Very low40.7Very low233 Ų233134.9 Ų134.9100%1.14877%0.77SS**  094.10-55.6172.794.100105
2S38.6Very low40.1Very low108 Ų108139.1 Ų139.176%0.75577%0.773SS**  79.7123.666.5-660000110.9
3N41.1Very low39.7Very low120 Ų120135.9 Ų135.964%0.64277%0.767SS**  cis-153.7159.28.7-106.726.4000111.1
4D46.5Very low38.7Very low120 Ų120135.4 Ų135.464%0.64277%0.774SS**  trans49.6153.8133.3-56-18.7000122.4
5N42.3Very low38.3Very low116 Ų116135.5 Ų135.562%0.6278%0.777SS**  cis-154.9138.8-8.1-112.8-42.4000105.6
6R40.6Very low38.2Very low226 Ų226131.9 Ų131.985%0.85377%0.77SS**  60.6130.980.7-166.2-171.8-172.2-177.63.5113.9
7A42.8Very low37.7Very low95 Ų95133.2 Ų133.279%0.78577%0.771SS**  cis-166.9164.8-17.700000109.1
8G44.5Very low37.6Very low80 Ų80135.1 Ų135.183%0.82578%0.778SS**  trans-170.5104.2171.300000112
9M37Very low37.5Very low154 Ų154137.1 Ų137.176%0.75978%0.776SS**  trans-103144-174.2-67.1171.762.400112.4
10S39.9Very low37.3Very low122 Ų122137.6 Ų137.685%0.85378%0.777SS**  trans-158116.5149-78.90000109.5
11N35.1Very low37.4Very low110 Ų110140.2 Ų140.259%0.58878%0.783SS**  trans-81.9169.6174.5-54.6-25.3000108.7
12F33.7Very low37.2Very low185 Ų185139.9 Ų139.981%0.81177%0.77SS**  cis-144.2133.625.8-79.9-89.4000109.5
13S33.8Very low37Very low98 Ų98138.4 Ų138.469%0.68577%0.772SS**  8098.884.2-158.60000114.4
14C26.1Very low36.5Very low129 Ų129138 Ų13887%0.87278%0.779SS**  trans-65.1150.3158.1-49.10000109.8
15V33.5Very low36Very low136 Ų136138 Ų13882%0.82479%0.788SS**  trans-131.8134.1165.2178.90000107.9
16A35.8Very low35.6Very low79 Ų79141 Ų14165%0.65380%0.798SS**  trans-93.4156.1-176.200000112.2
17I30.5Very low35.7Very low153 Ų153139.2 Ų139.279%0.78580%0.797SS**  trans25.3117.5136.8-52164.8000116.2
18N36Very low35.3Very low168 Ų168141.6 Ų141.690%0.89880%0.796SS**  -147.2151.5126.5-98.5-30.5000110.7
19K34.9Very low34.7Very low173 Ų173146.7 Ų146.775%0.75280%0.799SS**  trans-117.5162.5177.7-106.4-168175.5-169.70108.6
20D34.7Very low35Very low146 Ų146145.2 Ų145.278%0.78180%0.798SS**  trans67.5147.9168.8-42.3-38.7000112.9
21E38.9Very low34.7Very low193 Ų193145.7 Ų145.790%0.90279%0.791SS**  cis-134.5-172.533.6-68-17111100115.4
22Y34.6Very low34.7Very low226 Ų226150.4 Ų150.489%0.88680%0.802SS**  trans-70.8159.5-176.3-88.6-118.2000115.5
23G34.4Very low34.7Very low77 Ų77148.5 Ų148.579%0.79480%0.796SS**  trans-169.855.1173.400000114.9
24S31.9Very low34.9Very low112 Ų112154.3 Ų154.378%0.78381%0.805SS**  trans-64.1134.7-177.2-510000113.6
25S36.2Very low35.5Very low120 Ų120153.5 Ų153.584%0.83979%0.792SS**  trans-152.6103.6158.7-163.40000110.4
26E33.3Very low35.7Very low178 Ų178152.4 Ų152.483%0.83279%0.79SS**  trans-71.7145.2171.4-59.8164108.800110.4
27K41.6Very low35.8Very low190 Ų190157 Ų15783%0.82680%0.797SS**  trans-169.9147.7140.7-109.1153.5-171169.60115.3
28N35.6Very low36.6Very low144 Ų144155.5 Ų155.577%0.7780%0.798SS**  trans70.694.2158.3-62.28.1000117.1
29E32.4Very low36.6Very low188 Ų188154.9 Ų154.988%0.87980%0.795SS**  trans-56.4144.6158.5-53.8152105.900111.8
30T41.7Very low36.6Very low123 Ų123150.1 Ų150.176%0.75579%0.787SS**  trans-13580.8155.243.20000111.1
31N33.5Very low36.7Very low132 Ų132151.4 Ų151.471%0.70679%0.793SS**  trans19.4105.4142.8-173.18000117.3Q33N31-Q33 PolarHBondContact OD1-N 3.05Å
32Y35.2Very low36.7Very low209 Ų209153.2 Ų153.282%0.8279%0.792SS**  trans-120.195.2157.4-87.7-83000110.1
33Q35.4Very low36.9Very low145 Ų145149.6 Ų149.668%0.67879%0.787SS**  trans-79.7114.4172.2-178.1167-20.800109.9N31 D35N31-Q33 PolarHBondContact OD1-N 3.05Å; Q33-D35 PolarHBondContact NE2-OD2 2.86Å
34Y38Very low37Very low220 Ų220151.9 Ų151.986%0.86379%0.785SS**  trans-99.9102168.7-103-85.2000109.5
35D36.7Very low37.2Very low112 Ų112151.6 Ų151.660%0.59978%0.783SS**  trans-98.5159.3174.7-113.6-58.3000111.3Q33Q33-D35 PolarHBondContact NE2-OD2 2.86Å
36S39.3Very low37.3Very low112 Ų112157.2 Ų157.278%0.78379%0.786SS**  trans75.8130.1167.4-50.40000119.4
37E37.2Very low37.4Very low175 Ų175157.9 Ų157.982%0.81879%0.789SS**  trans-69.3159.5165.3-59.6167.895.800113
38P47.2Very low37.3Very low123 Ų123152.5 Ų152.580%0.79979%0.787SS**  trans-10879.9155.736.4-27.1000111.9A40P38-A40 PolarHBondContact O-N 2.92Å; P38-A40 VanDerWaalsContact O-N 3.15Å
39D35.8Very low37.2Very low154 Ų154150.7 Ų150.782%0.82479%0.786SS**  trans-70.2101.2169.2177.826.5000110.7
40A36.1Very low37.5Very low73 Ų73147.5 Ų147.560%0.60378%0.781SS**  trans-154.528.6-16400000118.2P38 R42P38-A40 PolarHBondContact O-N 2.92Å; P38-A40 VanDerWaalsContact O-N 3.15Å; A40-R42 PolarHBondContact O-N 3.01Å
41L36Very low37.2Very low173 Ų173147.1 Ų147.191%0.90678%0.778SS**  trans-75.766.5167.9-87.1179.3000112.6I43L41-I43 PolarHBondContact O-N 3Å; L41-I43 VanDerWaalsContact O-N 3.07Å
42R37.9Very low37.5Very low231 Ų231146.5 Ų146.587%0.87278%0.782SS**  trans-75.987.7172.7-80.4-174.3170.3172.5-1.1111.8A40 V44A40-R42 PolarHBondContact O-N 3.01Å; R42-V44 PolarHBondContact O-N 2.88Å
43I38.8Very low37.3Very low151 Ų151144 Ų14477%0.77478%0.782SS**  trans-71.1115.6160.5-62.7179000108.3L41 S45L41-I43 PolarHBondContact O-N 3Å; L41-I43 VanDerWaalsContact O-N 3.07Å; I43-S45 PolarHBondContact O-N 2.92Å; I43-S45 VanDerWaalsContact O-N 3.11Å
44V37.9Very low37.2Very low125 Ų125142.1 Ų142.176%0.75878%0.784SS**  trans-8485.2-177.3-176.90000110.6R42 R46R42-V44 PolarHBondContact O-N 2.88Å; V44-R46 PolarHBondContact O-N 3.48Å
45S35.2Very low36.7Very low105 Ų105137.1 Ų137.173%0.73478%0.781SS**  trans-70.4110.2162.2-69.80000109.5I43 E47I43-S45 PolarHBondContact O-N 2.92Å; I43-S45 VanDerWaalsContact O-N 3.11Å; S45-E47 PolarHBondContact O-N 2.94Å
46R39.1Very low36.5Very low239 Ų239137.4 Ų137.490%0.90279%0.786SS**  trans-95.393.8-177.8-167.7177.8-171.5173.42.8110.5V44V44-R46 PolarHBondContact O-N 3.48Å
47E35.8Very low36.2Very low192 Ų192138.2 Ų138.290%0.89779%0.787SS**  trans-66154175.6-65.7-17012200112.9S45S45-E47 PolarHBondContact O-N 2.94Å
48G39.1Very low36.2Very low77 Ų77137 Ų13779%0.79478%0.781SS**  trans177.757.6-175.900000113.7
49S33.6Very low35.5Very low106 Ų106135.6 Ų135.674%0.74177%0.77SS**  trans-69155.5172.5-149.20000110.9
50P38.4Very low35.6Very low121 Ų121137 Ų13779%0.78676%0.764SS**  -141.6157.777.437.1-20.7000116.3
51V35.8Very low35.6Very low114 Ų114141.8 Ų141.869%0.69177%0.771SS**  trans-87.1143.4170.8173.80000111.2
52P39Very low35.7Very low120 Ų120137.8 Ų137.878%0.77976%0.758SS**  trans-111154.3149.535.5-28.3000112.6
53L30.3Very low35.9Very low157 Ų157134.4 Ų134.482%0.82276%0.757SS**  trans-100-177.3-171.5-72164.6000113.4
54S33.4Very low35.8Very low104 Ų104133 Ų13373%0.72776%0.756SS**  trans84.4117.8169.983.40000115.1
55C27.7Very low36Very low116 Ų116138.2 Ų138.278%0.78476%0.762SS**  90.4143.483.6-71.70000111.5
56T33.4Very low36.3Very low117 Ų117141.2 Ų141.272%0.71876%0.764SS**  cis-162.7144.213.4-7.40000111.1
57T31.9Very low36.3Very low129 Ų129135.5 Ų135.579%0.79176%0.755SS**  trans50.8162149.524.40000120.9
58E37.1Very low36.7Very low150 Ų150132.5 Ų132.570%0.70175%0.75SS**  cis-141.314818.8-86.8-155.7104.500114.4
59T33.4Very low36.9Very low93 Ų93133.9 Ų133.957%0.57175%0.745SS**  trans42.6153.7141.779.30000122.1
60R36.8Very low37.4Very low184 Ų184134.6 Ų134.669%0.69475%0.747SS**  cis-166.517519.8-122147-172.8130-9.5106.4
61F37.3Very low38.4Very low173 Ų173134.5 Ų134.576%0.75975%0.746SS**  cis-143.71240.7-86.9-76.2000104.9
62S38.6Very low38.5Very low89 Ų89134.6 Ų134.662%0.62275%0.752SS**  82.695.774.479.20000117.7
63N40.3Very low38.8Very low161 Ų161136.7 Ų136.786%0.86176%0.756SS**  trans176.696.4144.9-96.7-26.1000108.1
64V38Very low39.5Very low122 Ų122136.6 Ų136.674%0.73976%0.756SS**  79.3101.257.7-177.80000114.4
65R40.9Very low39.8Very low233 Ų233134.9 Ų134.988%0.87976%0.756SS**  -174.2130.8124.1-98.6173.5-171.4-155.90.5112.1
66H42.7Very low40.9Very low169 Ų169135 Ų13578%0.78276%0.755SS**  trans17.9127.6164.1-63.1-91.4000121.2
67V38.5Very low41.3Very low118 Ų118137.3 Ų137.372%0.71576%0.757SS**  cis72.1119.649.4-176.50000111
68T43.5Very low41.8Very low130 Ų130137 Ų13780%0.79876%0.755SS**  -155.2149.274.8-57.70000113.3
69P45.2Very low42Very low106 Ų106135.5 Ų135.569%0.68875%0.751SS**PPolyproline II helixtrans-96.5173.2-176.439-37.4000115.6
70P43Very low42.3Very low120 Ų120139.1 Ų139.178%0.77976%0.762SS**PPolyproline II helixtrans-90.6158.9-179.536.6-36.4000114.8
71P58.9Low42.7Very low119 Ų119135.8 Ų135.877%0.77376%0.764SS**PPolyproline II helixtrans-97.5162.7172.137.9-33.7000113.8
72S38.3Very low42.6Very low117 Ų117132 Ų13282%0.81876%0.764SS**  trans-146.4145.2164.9-610000108.2
73L46.3Very low42.7Very low163 Ų163134.5 Ų134.585%0.85378%0.776SS**  trans-161.6148.5172.1-102.3138000111.4
74D43.3Very low42.5Very low155 Ų155133.4 Ų133.483%0.82977%0.77SS**  trans-41.2164.3174.8-53.4-97.3000116
75G40.5Very low42.6Very low69 Ų69138.8 Ų138.871%0.71178%0.777SS**  cis138.8-172.920.900000107.8
76P51.4Low42.6Very low118 Ų118134.1 Ų134.177%0.76677%0.774SS**  cis-128.3-169.2-17.242.8-25.9000113.4
77E42Very low42.6Very low165 Ų165131.7 Ų131.777%0.77177%0.773SS**  trans23.4148.2152-70.5-169.182.500123.6
78V42.2Very low42.6Very low122 Ų122137.2 Ų137.274%0.73978%0.781SS**  -165.8135.276.6151.20000113.9
79L41.4Very low42.1Very low119 Ų119137.6 Ų137.662%0.62378%0.784SS**  trans37.8117.4149.6-56.7177.4000121
80Q39.2Very low41.8Very low170 Ų170136.9 Ų136.979%0.79479%0.787SS**  80.9157.369.2-80.1-167.846.300115.9
81P44.2Very low42Very low113 Ų113137.6 Ų137.673%0.73479%0.789SS**  cis-140.5-174.1-33.940.1-21.8000115.4
82A35.5Very low41.1Very low94 Ų94137.3 Ų137.378%0.77779%0.787SS**  trans-44.5167179.600000121.7
83V42.5Very low42.1Very low141 Ų141137.9 Ų137.986%0.85579%0.787SS**  -163.5151.1128.6135.50000113.5
84N34.1Very low41.7Very low138 Ų138134.7 Ų134.774%0.73878%0.784SS**  trans-76.2154.5-173.3-50.6-80.8000116.2
85R40.1Very low41.8Very low235 Ų235133.6 Ų133.689%0.88778%0.783SS**  171.1120.6109.2-93.7167.3177.6160.30.4116.9
86V41.2Very low41.8Very low136 Ų136139.1 Ų139.182%0.82479%0.791SS**  50.6135.8124.9-174.80000121.1
87P43.2Very low41.1Very low117 Ų117137.5 Ų137.576%0.7679%0.787SS**  trans-104171.2-167.241.6-38.4000117.5
88R38.8Very low41.1Very low234 Ų234134.5 Ų134.588%0.88379%0.791SS**  trans-161.9136.7157.1-96.4159.2-176.9-153-2.5107.8
89T33.1Very low41Very low139 Ų139134.9 Ų134.985%0.85379%0.793SS**  84.288.354.3-49.50000114.8
90A38.2Very low41.2Very low91 Ų91134 Ų13475%0.75279%0.794SS**  trans-170.2115.5154.600000107.7
91V47.5Very low41.2Very low135 Ų135135 Ų13582%0.81880%0.799SS**  67.9115.380177.20000113.7
92P41.1Very low40.9Very low113 Ų113133.1 Ų133.173%0.73480%0.8SS**  trans-89.7157.317336.8-34.4000112.7
93P57.8Low41Very low128 Ų128139.5 Ų139.583%0.83180%0.804SS**  trans-88.1149.9171.435.1-33.2000112.7
94A38.8Very low40.7Very low96 Ų96139.7 Ų139.779%0.79380%0.8SS**  trans-138.7139.9171.500000110.4
95V45.8Very low40.7Very low133 Ų133137.7 Ų137.781%0.80680%0.803SS**  trans-169.2150.2174.4-91.30000108.4
96E39.9Very low40.3Very low185 Ų185131 Ų13186%0.86480%0.798SS**  cis-153.3167-25.3-166159.6130.200109.2
97A37.3Very low40.1Very low83 Ų83132.3 Ų132.369%0.68680%0.799SS**  trans-89.3171.6-167.300000115.8V99A97-V99 HydrophobicContact CB-CG2 4.44Å
98A41.4Very low39.6Very low103 Ų103133.1 Ų133.185%0.85180%0.797SS**  trans-142.1139150.800000110.5
99V39.3Very low39.6Very low130 Ų130131.3 Ų131.379%0.78880%0.799SS**  trans-155.3-176.9-174.7-122.70000106.4A97A97-V99 HydrophobicContact CB-CG2 4.44Å
100P46.4Very low39.7Very low101 Ų101129.4 Ų129.466%0.65679%0.791SS**  cis-132.8-156.2-18.629-4.5000112.6
101Q39.4Very low39.7Very low190 Ų190130.8 Ų130.889%0.88880%0.795SS**  trans88.1134.2161.4-47.9-177.316.600117.7
102G37.2Very low39.3Very low73 Ų73130 Ų13075%0.75379%0.79SS**  cis166.7151.8-15.800000117.5
103R37.2Very low39.5Very low229 Ų229131.5 Ų131.586%0.86480%0.797SS**  trans69.5135.9151.4-86.8-176.5169.6172.3-3122.3
104N36.8Very low38.8Very low145 Ų145130 Ų13078%0.77579%0.79SS**  trans72.9151145.7-60.61.1000118.2
105A34.7Very low38.8Very low96 Ų96131 Ų13179%0.79379%0.788SS**  cis-161.5170-22.200000109.7
106A31.4Very low38.9Very low95 Ų95130.9 Ų130.979%0.78579%0.788SS**  trans-65.4155.2-173.200000115.9
107L37.4Very low39.4Very low163 Ų163127.7 Ų127.785%0.85378%0.783SS**  -167.1159.5127.5-107.7162.3000113.9
108N32.9Very low40Very low133 Ų133131.5 Ų131.571%0.71179%0.79SS**  trans-75.1153.3-173.7-54.9-42.5000113.5
109Q39.3Very low40.4Very low197 Ų197130.3 Ų130.392%0.92178%0.78SS**  -171.1159.7107.3-102.9158104.700116.4
110S33.5Very low40.9Very low98 Ų98130.1 Ų130.169%0.68578%0.782SS**  trans-69.8151.3-175.8177.60000114.5
111S39.1Very low41.4Very low121 Ų121131.6 Ų131.685%0.84679%0.788SS**  trans-150.9135.3136.3-84.50000112.2
112V38.3Very low42.2Very low118 Ų118128 Ų12872%0.71578%0.781SS**  trans-77.6142-175.2174.80000111.3
113V46.1Very low42.8Very low144 Ų144132.5 Ų132.587%0.87379%0.787SS**  trans-126.6133157.3-176.70000108.3
114S42.5Very low43.2Very low97 Ų97130.1 Ų130.168%0.67879%0.785SS**  trans-113.5169.2-176.8-109.10000111.2
115P39.4Very low43.9Very low116 Ų116129.1 Ų129.175%0.75379%0.787SS**  trans-93159.9-140.7-2.621.5000115.1P117P115-P117 WeakPolarHBondContact O-CD 3.44Å
116V48.6Very low44.7Very low132 Ų132128.7 Ų128.780%0.878%0.783SS**  trans-96.4113.4166.6-1800000109.3
117P48.5Very low45.9Very low117 Ų117130.5 Ų130.576%0.7679%0.787SS**PPolyproline II helixtrans-80.1124.4173.931.2-32.2000110.7P115P115-P117 WeakPolarHBondContact O-CD 3.44Å
118I51.5Low46.4Very low163 Ų163129.3 Ų129.384%0.83679%0.786SS**PPolyproline II helixtrans-85.5120.7169.2-62.2177.8000108.2
119A48.3Very low46.8Very low79 Ų79127.4 Ų127.465%0.65379%0.789SS**PPolyproline II helixtrans-73.7148.9-177.800000112.4
120P50.6Low46.9Very low126 Ų126121.7 Ų121.782%0.81878%0.784SS**PPolyproline II helixtrans-69139177.328.8-34.8000111.9
121V57.2Low47.2Very low131 Ų131123.6 Ų123.679%0.79479%0.791SS**PPolyproline II helixtrans-73.4131.2178179.30000110.3I123V121-I123 PolarHBondContact O-N 3.16Å
122P55.1Low47.4Very low114 Ų114124.6 Ų124.674%0.7479%0.793SS**PPolyproline II helixtrans-66.9129.3177.3-20.933.1000112.9
123I51Low47.3Very low168 Ų168128.4 Ų128.486%0.86280%0.799SS**PPolyproline II helixtrans-74.2124.5170-61174000108.6V121V121-I123 PolarHBondContact O-N 3.16Å
124Q46.1Very low46.9Very low180 Ų180130.1 Ų130.184%0.84180%0.798SS**PPolyproline II helixtrans-75.1135.8174.3-69.7-174.1-6.300111.2
125P51.1Low46.7Very low123 Ų123130 Ų13080%0.79980%0.797SS**PPolyproline II helixtrans-76.1149.317531.7-34.7000112
126A50.6Low46.7Very low88 Ų88131 Ų13173%0.72780%0.8SS**PPolyproline II helixtrans-71.2147.1179.700000113T128A126-T128 PolarHBondContact O-N 3.11Å
127P58Low46.3Very low133 Ų133130.8 Ų130.886%0.86480%0.802SS**PPolyproline II helixtrans-71.7128.5179.329-34.3000111.9
128T47.4Very low45.6Very low137 Ų137129.6 Ų129.684%0.8480%0.802SS**PPolyproline II helixtrans-83147176.4-61.90000111.3A126A126-T128 PolarHBondContact O-N 3.11Å
129A40Very low45.1Very low93 Ų93128.7 Ų128.777%0.76980%0.804SS**PPolyproline II helixtrans-68.4131-175.100000113.6
130G42.4Very low44.5Very low78 Ų78129.7 Ų129.780%0.80481%0.812SS**PPolyproline II helixtrans-91.5122.9171.900000112.3
131T39.4Very low43.7Very low137 Ų137133.2 Ų133.284%0.8482%0.815SS**PPolyproline II helixtrans-103.4122.3174.155.40000111.7
132T43.3Very low43Very low143 Ų143132.3 Ų132.388%0.87781%0.812SS**  trans-126137.2171.5-51.90000110
133K36.7Very low42.1Very low198 Ų198134.5 Ų134.586%0.86182%0.817SS**  trans-120.4129.4-178.9-64.9177.8-179.6175.40111.3
134Q37.7Very low41.5Very low180 Ų180137.7 Ų137.784%0.84182%0.818SS**  trans-152.6113.9156.9-93.3179.8-22.500106.2
135S38.1Very low40.9Very low93 Ų93133.4 Ų133.465%0.6581%0.808SS**  60.7101.686.667.90000113.2
136V39.1Very low40.3Very low137 Ų137134.8 Ų134.883%0.8381%0.808SS**  74138.976.1168.60000111.5
137P40.7Very low39.5Very low129 Ų129135.5 Ų135.584%0.83881%0.808SS**  cis-123.9-161.71335.2-14.6000115.2
138A33.9Very low38.5Very low92 Ų92133.4 Ų133.476%0.7680%0.801SS**  trans-120.3164.8-176.100000113.5
139T39.5Very low38Very low144 Ų144133 Ų13388%0.88380%0.799SS**  trans-160.5152.1158.212.80000114.7
140A37.1Very low37.8Very low99 Ų99133.3 Ų133.382%0.81880%0.796SS**  trans71.9116.1151.200000122.8
141F34.3Very low37.6Very low200 Ų200133.5 Ų133.588%0.87779%0.79SS**  trans-75.2165.1154.2-83.3-84000111.2
142P41.7Very low37.7Very low113 Ų113134.9 Ų134.973%0.73479%0.786SS**  -156.9149.977.240.4-18.2000121
143L36.7Very low37.4Very low159 Ų159133.8 Ų133.883%0.83278%0.779SS**  trans35125.1133.1-55.3169.7000122.1
144R36.8Very low37.2Very low235 Ų235130.1 Ų130.189%0.88777%0.773SS**  -176.1132.3101.7-106179.8175.5166.2-0.5115.8
145S35Very low37.2Very low91 Ų91126.7 Ų126.764%0.63677%0.769SS**  trans28.4140.7132.264.40000121.1
146L38.5Very low37.1Very low151 Ų151128.4 Ų128.479%0.79178%0.776SS**  -156.8132.151.9-79.7167.3000110.3
147S33Very low37.3Very low104 Ų104127.3 Ų127.373%0.72777%0.772SS**  49.4132.495.574.50000116.6
148A36.6Very low37Very low88 Ų88126.6 Ų126.673%0.72777%0.77SS**  cis-153.9-156.6-0.800000109.1
149T37.1Very low37.2Very low128 Ų128126.4 Ų126.479%0.78577%0.768SS**  cis-162-179.714.7-24.70000111.5
150S35.2Very low37Very low101 Ų101126.8 Ų126.871%0.70676%0.764SS**  trans-3.5150.7156.260.30000121.4
151A38.6Very low37Very low82 Ų82128.3 Ų128.368%0.67876%0.758SS**  cis-157.5153.233.400000116.1
152H42.5Very low37.1Very low166 Ų166123.1 Ų123.177%0.76975%0.747SS**  trans22.7148.1134.9-52.6-62.7000121.8
153T36.4Very low36.9Very low119 Ų119124.7 Ų124.773%0.7375%0.748SS**  cis-162.1140.210.8-2.70000114.4
154V32.8Very low36.8Very low121 Ų121124.6 Ų124.673%0.73375%0.748SS**  trans24.6123.4134.1-177.20000121.7T156V154-T156 HydrophobicContact CG1-CG2 4.43Å
155S36.9Very low36.9Very low108 Ų108116 Ų11676%0.75573%0.733SS**  177.399.2127.429.50000110.3
156T37Very low37.2Very low129 Ų129117.7 Ų117.779%0.79174%0.739SS**  86.9145.984.249.10000115.7V154V154-T156 HydrophobicContact CG1-CG2 4.43Å
157P42.8Very low37.2Very low115 Ų115117.1 Ų117.175%0.74774%0.736SS**  trans-125-174.5-153.543.5-29.4000114.9
158S35.2Very low37.6Very low114 Ų114118.3 Ų118.380%0.79773%0.73SS**  trans164.4-18013353.40000113.5
159A37.7Very low37.8Very low88 Ų88121.3 Ų121.373%0.72773%0.727SS**  trans75.2108.7-169.100000113.9
160L34.8Very low37.9Very low151 Ų151122.5 Ų122.579%0.79172%0.723SS**  cis62.2137.129.4-50.1174.3000112.6
161N37.1Very low37.9Very low131 Ų131121.1 Ų121.170%0.70173%0.726SS**  cis-160.5171.217.7-140.6-10.2000112.8
162S36.7Very low37.9Very low92 Ų92124.5 Ų124.564%0.64373%0.727SS**  trans71.8146.2154.3-51.80000119.4
163L37.6Very low37.6Very low145 Ų145126.8 Ų126.876%0.75973%0.729SS**  cis-153.7154.6-11.4-14286.4000111.3
164L35.4Very low37.7Very low157 Ų157127.1 Ų127.182%0.82273%0.731SS**  trans18.5143.3146.9-111.756000121.9
165G39Very low37.6Very low55 Ų55130.6 Ų130.657%0.56774%0.737SS**  cis-167161.84.100000112.2
166T40.1Very low37.6Very low126 Ų126131.5 Ų131.577%0.77374%0.743SS**  66.5133.9103.759.20000115.1
167L38.9Very low37.5Very low139 Ų139131.2 Ų131.273%0.72875%0.746SS**  cis-159.7150.429.2-157.572.7000111.8
168E40.6Very low37.1Very low130 Ų130129.6 Ų129.661%0.60775%0.75SS**  trans29.8152.7145.5-64.6-177.3125.600123.6
169K41.4Very low37.1Very low150 Ų150133.3 Ų133.365%0.65276%0.755SS**  cis-161.9174-2.5-123.9168.5177.7156.90113.2
170Q39.6Very low37.1Very low153 Ų153134.8 Ų134.872%0.71576%0.76SS**  trans-6.1140.7156.9-63.6157.5-69.300117.8
171G35.9Very low37.1Very low73 Ų73134.8 Ų134.875%0.75376%0.761SS**  98.7142.854.200000109.3
172Q38.1Very low37.2Very low153 Ų153136 Ų13672%0.71577%0.765SS**  cis-158.2174.631.7-55.1179.9-300111.7
173R36Very low37.2Very low214 Ų214138.1 Ų138.181%0.80877%0.77SS**  trans34142.9135.4-63.1170.8-166.6-132.33.2120
174T38.6Very low37.1Very low126 Ų126138.8 Ų138.877%0.77377%0.774SS**  cis-161.1171.518.2-10.40000112.3
175F31.5Very low37.1Very low194 Ų194135 Ų13585%0.85177%0.773SS**  trans-65153.9175.5-51.9-94.7000115
176S36.3Very low36.9Very low126 Ų126143.1 Ų143.188%0.88179%0.793SS**  -171.7158.5110.6-79.40000112.9
177S35Very low36.7Very low124 Ų124140.8 Ų140.887%0.86779%0.794SS**  trans-93.2148.9-178.453.40000113.4
178G34.6Very low36.7Very low80 Ų80145.8 Ų145.883%0.82580%0.803SS**  trans-161.4136.6166.800000112.2
179Q34.1Very low36.6Very low193 Ų193146 Ų14690%0.90281%0.813SS**  trans-90.9152.4173.5-63.5172.9-40.800110.5
180S37.5Very low36.9Very low119 Ų119143.7 Ų143.783%0.83281%0.813SS**  167.4166.6118.248.70000112.6
181N34.5Very low36.8Very low151 Ų151143.4 Ų143.481%0.80782%0.817SS**  trans-81.3166-177.8-55.6-51.7000112.3
182I40.4Very low36.8Very low155 Ų155147.7 Ų147.780%0.79582%0.817SS**  165.5131.5119-83.9155.9000112.8
183N36.4Very low36.9Very low137 Ų137146.6 Ų146.673%0.73382%0.821SS**  trans28.3128.9153.7-59.5-12000124.1
184N34.7Very low36.7Very low160 Ų160141.7 Ų141.786%0.85682%0.819SS**  26.3126.2123.2-57.8-9.5000120.6
185G35.7Very low36.9Very low77 Ų77141.6 Ų141.679%0.79482%0.824SS**  trans-150.9135159.600000112.4
186F34.4Very low37Very low225 Ų225141.2 Ų141.299%0.98783%0.825SS**  trans-85.3151-179.9-83.9-113.2000112.5
187G37Very low37.3Very low77 Ų77143.4 Ų143.479%0.79483%0.825SS**  trans-156.3146.8170.100000112.1
188R37.6Very low37.3Very low244 Ų244144.3 Ų144.392%0.92182%0.82SS**  trans-110.7150.9-167.2-72-178.3175.1-177.7-1.2115.4
189V39.2Very low37.6Very low134 Ų134145 Ų14581%0.81281%0.81SS**  trans-37.8177.5145.4-95.20000116
190P47.3Very low37.6Very low102 Ų102144.7 Ų144.766%0.66281%0.808SS**  cis-138.9-178.54.136.8-16.6000116.9
191N38.1Very low37.5Very low147 Ų147149.3 Ų149.379%0.78681%0.807SS**  trans154.7157134.8-84.8-19.6000111
192Q36.4Very low37.6Very low164 Ų164148.7 Ų148.777%0.76680%0.801SS**  cis160.4166.6-20.4-102-84.69.900105.5
193V39.3Very low37.6Very low129 Ų129147.8 Ų147.878%0.78279%0.794SS**  trans71.7122-174.5-169.20000113.9
194S32.6Very low37.5Very low112 Ų112151.3 Ų151.378%0.78380%0.797SS**  cis102.6107.210.9-162.70000116.7
195S42Very low37.6Very low124 Ų124152.9 Ų152.987%0.86780%0.799SS**  trans-162.9154.4152.358.50000110.9
196Q33.2Very low37.3Very low185 Ų185154.6 Ų154.686%0.86479%0.794SS**  trans-146.9126.2-168.7171.8-167.9-3.300110.2
197I44.1Very low37.4Very low173 Ų173150.5 Ų150.589%0.88779%0.787SS**  trans-145.2142.2171.8-57.9-176.9000111
198D33.2Very low37Very low143 Ų143153.1 Ų153.177%0.76578%0.783SS**  trans-158.8172.5178.5-167.638.6000105.9
199P42.7Very low36.8Very low94 Ų94149.8 Ų149.861%0.6178%0.782SS**  cis-128.5-179.9-14.21314.2000115.8
200Q32.5Very low36.5Very low186 Ų186146.4 Ų146.487%0.86977%0.774SS**  trans43.2126.6148.5-69.2-174.418.800123
201R36.5Very low35.9Very low216 Ų216149.7 Ų149.782%0.81578%0.781SS**  -171137.9127.9-113.9-174-179.4-156.22.8114.6
202M37.2Very low35.7Very low138 Ų138149.4 Ų149.468%0.6878%0.779SS**  trans58.2153.3145.8-69.8169.8176.100120.3
203Q38.5Very low35.5Very low137 Ų137145.1 Ų145.164%0.6477%0.772SS**  cis-163.3147.8-28.4-119.8-171.9600109.6
204R34.9Very low35.1Very low210 Ų210150 Ų15079%0.79278%0.776SS**  trans48.8121.5148.2-64.1171.8169.2-162.5-4.9120.9
205Q37Very low35.1Very low194 Ų194150 Ų15091%0.90778%0.783SS**  -165.3171100.3-102.6178.74.800111.3
206T30.4Very low34.7Very low113 Ų113151.8 Ų151.869%0.69378%0.782SS**  trans-152.2130.1-160-55.80000115L208T206-L208 HydrophobicContact CG2-CD1 3.79Å; T206-L208 HydrophobicContact CG2-CG 3.92Å
207V35.1Very low34.5Very low138 Ų138146 Ų14684%0.83677%0.772SS**  trans-151.1133.8161-178.60000105.9
208L29.2Very low33.9Very low133 Ų133148.9 Ų148.970%0.69677%0.774SS**  cis83.582.28.6-57.9173.4000118.7T206T206-L208 HydrophobicContact CG2-CD1 3.79Å; T206-L208 HydrophobicContact CG2-CG 3.92Å
209L33.2Very low33.8Very low174 Ų174151.6 Ų151.691%0.91178%0.779SS**  -179.1163.2117.9-117.165.5000113.2
210G32.2Very low33.5Very low63 Ų63152.8 Ų152.865%0.64979%0.787SS**  trans87.4116.7173.500000114.9
211Q36Very low33.5Very low171 Ų171151.4 Ų151.480%0.79978%0.78SS**  cis63.4133.523.3-49.5-168.720.500112.8
212N33.1Very low33.6Very low141 Ų141150.8 Ų150.875%0.75478%0.783SS**  cis-161.6178.315.6-97.2-32.5000108.3
213A33.6Very low33.3Very low74 Ų74150 Ų15061%0.61278%0.782SS**  cis-169.1157.9-25.700000111.2
214R30.6Very low33.1Very low231 Ų231151.7 Ų151.787%0.87280%0.795SS**  trans28.8130.4145.9-61.4172.5179.3160.2-1.2121.6
215A31.6Very low33.1Very low111 Ų111145.7 Ų145.792%0.91779%0.79SS**  trans-14382.113400000110.8
216L32.9Very low32.9Very low162 Ų162143.7 Ų143.785%0.84879%0.785SS**  trans-82.6125.3172.9-81.4162.9000110.7
217G30.1Very low33.1Very low64 Ų64143.6 Ų143.666%0.6679%0.789SS**  trans60.6126.113500000121.3
218Y31.3Very low33Very low234 Ų234143.2 Ų143.292%0.91878%0.782SS**  trans-140.7104.4143.4-99-73.5000110.8
219F30.2Very low33.3Very low199 Ų199145.2 Ų145.287%0.87379%0.787SS**  trans-107.1120.7165.8-108.3-83.9000108.5
220P37Very low33.4Very low120 Ų120139.7 Ų139.778%0.77977%0.772SS**  trans-99.667.3170.536.3-31.2000111.1K222P220-K222 PolarHBondContact O-N 3.09Å
221Q33.8Very low33.7Very low157 Ų157145.4 Ų145.473%0.73478%0.782SS**  trans-78.299.7171.4-167.1-175.355.400109.7
222K37.3Very low33.7Very low203 Ų203143.2 Ų143.288%0.88378%0.78SS**  trans-102.8112.4167.6-79.6-169.1174.2-176.30110.5P220P220-K222 PolarHBondContact O-N 3.09Å
223N30.6Very low33.7Very low121 Ų121147.2 Ų147.265%0.64778%0.784SS**  trans-86173.7170.3-81.1-67.7000111.6
224L34.6Very low33.8Very low173 Ų173149.2 Ų149.291%0.90679%0.789SS**  trans89.2146.4158.4-66.2150.2000119.5
225A36.1Very low34Very low84 Ų84143.8 Ų143.869%0.69478%0.782SS**  trans63.1104178.400000115.5
226N32.8Very low34.1Very low152 Ų152143.4 Ų143.481%0.81377%0.773SS**  91.613251.2-76.7-4000113.3
227S33.7Very low34.2Very low111 Ų111140.3 Ų140.378%0.77677%0.77SS**  trans69155.2153.5-70.10000119.1
228L33.1Very low34.5Very low130 Ų130142.3 Ų142.368%0.68177%0.774SS**  cis-169.5146.6-32-157.660.6000107.7
229H36.1Very low34.7Very low175 Ų175142.3 Ų142.381%0.8177%0.773SS**  trans66.3155.4178.8-41.5101.7000115.8
230G35.8Very low34.8Very low57 Ų57137.4 Ų137.459%0.58876%0.763SS**  cis155.2142.2-12.800000113.8
231H37.9Very low34.9Very low184 Ų184137.9 Ų137.985%0.85276%0.759SS**  trans66.4157.1166.5-52.6-35.7000116.2
232T36.3Very low35.1Very low125 Ų125138.6 Ų138.677%0.76776%0.762SS**  cis-153139.5-157.90000111.7
233R32Very low35.2Very low224 Ų224135 Ų13585%0.84576%0.757SS**  trans16.4154131.4-146.8-177.7-166.3-167.44.1121
234T36.1Very low35.4Very low117 Ų117139.4 Ų139.472%0.71877%0.765SS**  trans84154.5163.475.90000117.2
235T34.1Very low35.8Very low117 Ų117139.9 Ų139.972%0.71876%0.762SS**  cis-160169.1-38.733.50000109.6
236S35.5Very low35.8Very low103 Ų103141.1 Ų141.172%0.7276%0.761SS**  trans56.5100.214460.40000121.3
237A33.5Very low36.2Very low96 Ų96142.1 Ų142.179%0.79376%0.764SS**  51.9145.9115.800000123.9
238S36.4Very low36.5Very low107 Ų107140.1 Ų140.175%0.74876%0.762SS**  trans98.9114.7146.7-63.60000122.1
239R35.2Very low36.6Very low234 Ų234141.9 Ų141.988%0.88377%0.772SS**  trans75.4113.7131.2-70.7-178.8165.2-165.6-4.6122.1
240S33.8Very low36.7Very low96 Ų96142.6 Ų142.667%0.67178%0.778SS**  61.2120.4118.4-167.20000121.2
241N37.9Very low36.8Very low130 Ų130143.6 Ų143.670%0.69579%0.788SS**  175.7119.7117.5-86.1-16000109.9
242Q38.1Very low36.6Very low171 Ų171143 Ų14380%0.79979%0.79SS**  94.6167.986.4-79.5-156.419.900114.6
243V39.7Very low36.6Very low128 Ų128142.9 Ų142.978%0.77679%0.791SS**  trans77.8101.2-173.9-169.20000113.7
244R35.6Very low36.6Very low214 Ų214139.3 Ų139.381%0.80878%0.784SS**  cis88.9101.318.8-160.6-165.1-162.6-168.47.3115.9
245H42.3Very low36.5Very low183 Ų183145.5 Ų145.585%0.84780%0.795SS**  trans-177112.5153.7-82.2-65.1000105.7
246T36.8Very low36.6Very low109 Ų109149.7 Ų149.767%0.66980%0.799SS**  cis101137.528.4-46.40000112.8
247I41.4Very low37.8Very low173 Ų173150.3 Ų150.389%0.88780%0.8SS**  trans80.8132178.9-45.1174.1000114.1
248G39.9Very low38Very low70 Ų70151.3 Ų151.372%0.72280%0.799SS**  cis-172.2165-3.800000113.7
249N34Very low37.9Very low166 Ų166153 Ų15389%0.88880%0.804SS**  trans-76.8155.7-179.1-84.7-19.2000113.9
250M38.3Very low38Very low191 Ų191147.3 Ų147.394%0.94180%0.8SS**  trans176.7144.6133-92.6-96.5-8500113
251G37.5Very low37.9Very low78 Ų78148 Ų14880%0.80481%0.805SS**  trans94.797.8149.600000120.7
252L33.4Very low38Very low170 Ų170151 Ų15189%0.8982%0.818SS**  trans-81.4167.8146.6-86.2169.5000109.1
253P37.4Very low37.7Very low123 Ų123150.8 Ų150.880%0.79982%0.822SS**  cis-147.7-170.934.743.7-22.1000118.3
254Q32.5Very low37.6Very low149 Ų149149.3 Ų149.370%0.69682%0.823SS**  trans-59.6156.8179-66-159.830.700116.9
255R34.4Very low37.6Very low247 Ų247143.3 Ų143.393%0.93282%0.819SS**  trans-145.5137.5136.2-74.4-161.5174.6-158.4-2.1112.3
256Y35.5Very low37.1Very low206 Ų206145.7 Ų145.781%0.80882%0.821SS**  trans-105.6153.8159.6-85.1-94.5000109.8
257P60.3Low36.9Very low115 Ų115146 Ų14675%0.74783%0.827SS**PPolyproline II helixtrans-83.4154.3167.834.4-33.3000112.2
258P38.4Very low36.7Very low117 Ų117145.1 Ų145.176%0.7683%0.829SS**PPolyproline II helixtrans-94.7163.6-172.437.4-36.6000114.9
259V33Very low36.4Very low143 Ų143150.2 Ų150.287%0.86783%0.834SS**PPolyproline II helixtrans-81.2143.7165.9-178.80000110
260S38.2Very low36.6Very low115 Ų115147.2 Ų147.280%0.80482%0.824SS**  trans-126.4135.8171.2-65.20000110.4
261S32.2Very low36.4Very low111 Ų111146.3 Ų146.378%0.77682%0.817SS**  trans-115149.3178.357.50000111.5
262M38.9Very low36.3Very low193 Ų193151.9 Ų151.995%0.95182%0.822SS**  trans-144.6148160.2-83-156.7131.500110.8
263N32.9Very low36.4Very low165 Ų165153 Ų15388%0.88282%0.82SS**  trans-97155.6-176.9-56.2-68.9000111.5
264A36.1Very low36.1Very low98 Ų98150.1 Ų150.181%0.8181%0.813SS**  trans-171.5115134.700000115.6
265A35.5Very low36.2Very low87 Ų87152.4 Ų152.472%0.71982%0.821SS**  62.4124.5128.400000124.6
266R33.4Very low36.2Very low234 Ų234147.9 Ų147.988%0.88382%0.815SS**  trans71.1126.3147.4-60.6170.9-176.4-152-0.6117.4
267S31.5Very low36.1Very low116 Ų116142 Ų14281%0.81182%0.817SS**  cis88.5119.336.5-60.80000115.4
268V37.3Very low34.9Very low153 Ų153144.3 Ų144.393%0.92782%0.823SS**  -178.3162.6129.4148.30000110.2
269H34.5Very low34.6Very low178 Ų178149.6 Ų149.682%0.82483%0.828SS**  trans-98162.2-164.4-148.5-115.9000113.6
270P37.7Very low34.7Very low103 Ų103152.7 Ų152.767%0.66983%0.83SS**  trans-97.2168.3-174.738-36.5000115.3
271Q35Very low34.4Very low172 Ų172152.1 Ų152.180%0.80483%0.826SS**  trans-142.3150162.6-78.2-171.8-18.600111.3
272Q35.2Very low34.3Very low194 Ų194158.3 Ų158.391%0.90783%0.834SS**  trans-125.3141.4166.2-80.2-176.3-3900109.6
273F34.2Very low34Very low195 Ų195153.6 Ų153.686%0.85583%0.825SS**  trans-132.1153162.2-86-94.2000107.3
274G30.7Very low34Very low62 Ų62153.9 Ų153.964%0.63982%0.823SS**  trans-140177.1170.800000110.5
275F35.5Very low33.9Very low196 Ų196156.4 Ų156.486%0.8682%0.822SS**  trans178.4137.7148.2-106.9-74.6000111.3
276D33.9Very low33.7Very low152 Ų152156.5 Ų156.581%0.81382%0.818SS**  trans27.2147.4154.8-60.1-5.2000125.1
277G34.7Very low33.7Very low82 Ų82153 Ų15385%0.84582%0.817SS**  trans-174.49417000000115
278N34.9Very low33.8Very low164 Ų164151.9 Ų151.988%0.87782%0.815SS**  trans-76.5167.7-164.6-155.6-10.4000116.9
279R31.8Very low33.7Very low228 Ų228151.7 Ų151.786%0.8681%0.814SS**  trans-70.9158.5-178.2-58.7178.1176.9-174.6-0.8115.3
280K35.1Very low33.7Very low208 Ų208151.8 Ų151.890%0.90481%0.814SS**  trans-166.2165.4140.8-106.1153.9-171.6176.50112.5
281S31.1Very low34.1Very low104 Ų104152 Ų15273%0.72782%0.815SS**  trans-155.6140-169.755.10000113.2
282Y29.7Very low34Very low241 Ų241152.8 Ų152.895%0.94582%0.821SS**  trans-153.5160.4169.1-85.4-72.6000111.5
283A32.7Very low33.9Very low93 Ų93150.2 Ų150.277%0.76982%0.818SS**  trans-157.2150.7177.700000111.5
284M33.1Very low33.9Very low171 Ų171146 Ų14684%0.84281%0.814SS**  trans-166.9138164.3-87.6-138.4172.500114
285L34.6Very low34.1Very low151 Ų151148.6 Ų148.679%0.79182%0.817SS**  trans53155.9138.6-55.8179.2000122.2
286S31.6Very low34.1Very low90 Ų90145.3 Ų145.363%0.62982%0.818SS**  cis-174.9171.6-26.2-168.20000111.6
287N32.8Very low34.2Very low159 Ų159141.3 Ų141.385%0.8581%0.813SS**  trans91.5151.2157.9-55-12.6000120.3
288A33.4Very low34.3Very low94 Ų94144.1 Ų144.178%0.77781%0.814SS**  trans-159.2160.3-172.800000113.8
289V36.1Very low34.2Very low148 Ų148140.4 Ų140.490%0.89781%0.806SS**  trans-147.6163.7173.1-172.90000110.8
290H34.6Very low34.2Very low181 Ų181137.6 Ų137.684%0.83880%0.802SS**  trans-120.9174.1-163.7-95.3-86.3000116.7
291P44.9Very low33.9Very low106 Ų106134.8 Ų134.869%0.68880%0.796SS**  trans-117.7-170.8-159.945.2-37.3000117.5
292M32.7Very low34.1Very low189 Ų189135 Ų13593%0.93180%0.796SS**  trans-136.9-177.9169-64.9-156.680.700114.2
293V34.2Very low34.1Very low140 Ų140129.9 Ų129.985%0.84879%0.789SS**  trans-141149.9-147.51750000116.2
294S33.4Very low34Very low108 Ų108131.7 Ų131.776%0.75579%0.79SS**  trans-154-154.2154.4-152.70000114.2
295T36.1Very low33.7Very low116 Ų116132.8 Ų132.871%0.71279%0.79SS**  trans-153.5164.6-140.441.90000117.6
296S35.9Very low33.7Very low127 Ų127130.9 Ų130.989%0.88879%0.787SS**  trans77.1167.3169.379.60000117.8
297G35.7Very low33.5Very low68 Ų68132 Ų13270%0.70180%0.795SS**  cis153.5163.5-5.300000112.1
298V35.4Very low33.5Very low141 Ų141131 Ų13186%0.85580%0.797SS**  cis-160.6142.2-18.2-166.60000110
299A33.9Very low33.2Very low86 Ų86135.1 Ų135.171%0.71180%0.802SS**  trans61.9154.8163.100000121
300Q32.4Very low32.6Very low169 Ų169135.7 Ų135.779%0.7980%0.799SS**  cis-163.2132.4-20.1-106.1-176.112.800113.4
301L28.2Very low32.2Very low148 Ų148132.8 Ų132.878%0.77579%0.794SS**  trans64.6178.9138.7-54.6174.1000120.7
302P36Very low31.2Very low110 Ų110136.9 Ų136.971%0.71480%0.8SS**  -141.5-168.7-102.141.2-18.1000116.7
303V29.1Very low31Very low132 Ų132135.4 Ų135.480%0.880%0.795SS**  trans175.2123.6141.1142.70000116.4
304V30.1Very low30.7Very low132 Ų132133 Ų13380%0.878%0.784SS**  trans68154.8145.8-179.30000123.6
305F25.7Very low30.4Very low193 Ų193134.6 Ų134.685%0.84678%0.784SS**  trans-104.3-166.3-165.8-74.1-91.8000113.5
306P36.2Very low29.9Very low112 Ų112134.3 Ų134.373%0.72779%0.787SS**  cis-144.5175.45.244.5-24.4000120.7
307S26.9Very low29.8Very low114 Ų114133.3 Ų133.380%0.79778%0.777SS**  trans67.8130.8149.4-62.80000124.1
308P31.7Very low29.3Very low136 Ų136137.6 Ų137.688%0.88378%0.784SS**  trans-107.9179.7173.541.6-34.7000115.5
309M27.1Very low29Very low181 Ų181139 Ų13989%0.89279%0.785SS**  trans-121.9153.1-172.9-169.4-179.9-165.800112.8
310I25.2Very low28.5Very low160 Ų160142 Ų14282%0.82179%0.789SS**  trans-110140.7177.4-62.7173.7000110.7
311V26Very low28.2Very low121 Ų121142 Ų14273%0.73379%0.794SS**  trans-124.2144170.9179.30000109.8I313V311-I313 HydrophobicContact CG1-CG1 4.45Å
312K22.6Very low28.1Very low191 Ų191142.5 Ų142.583%0.8379%0.792SS**  trans-128.4131.7-176.6-174.5-179.3-176.9-179.40109.3
313I29.6Very low27.6Very low159 Ų159143 Ų14382%0.81579%0.793SS**  trans-132.5144.4177-57.5179.6000108V311V311-I313 HydrophobicContact CG1-CG1 4.45Å
314S27.1Very low27.5Very low89 Ų89142.6 Ų142.662%0.62279%0.793SS**  trans-109.2151.1-173.7-55.30000113.2
315D26.8Very low27.3Very low141 Ų141141.4 Ų141.475%0.75479%0.79SS**  trans51.9104.8148.7-56.6-43.6000121.3
316S26.1Very low27.2Very low111 Ų111138.8 Ų138.878%0.77679%0.79SS**  67.3161119.8-650000121.5
317P34.2Very low26.8Very low105 Ų105139 Ų13968%0.68279%0.794SS**  cis-133.2175.7-25.635-16.6000114.7
318L24.3Very low26.6Very low159 Ų159142.5 Ų142.583%0.83280%0.798SS**  trans48.1104.5151.4-69164.7000120.3
319L29.4Very low26.3Very low169 Ų169143 Ų14389%0.88580%0.799SS**  trans-142.3134.7142.4-98.9176.4000110.5
320N23.2Very low26.1Very low150 Ų150141.1 Ų141.180%0.80280%0.797SS**  trans-96.4129.3173.4-93.1-55.1000110.1
321L27.3Very low26.1Very low169 Ų169137.7 Ų137.789%0.88579%0.792SS**  trans-149.9154.8161.6-101.5130.8000109.7
322Q25.4Very low26Very low159 Ų159136.8 Ų136.874%0.74380%0.797SS**  trans-149.1142.9-142.516759.55.600111.4
323V24.9Very low26.3Very low121 Ų121133.2 Ų133.273%0.73379%0.792SS**  trans55.8164.5-177-81.50000117.6
324P26.9Very low26.1Very low123 Ų123133.7 Ų133.780%0.79980%0.796SS**  cis-122.7175.1-8.820.53.2000114.8
325S26.3Very low26.1Very low106 Ų106136.9 Ų136.974%0.74180%0.801SS**  trans-88.9141.7176.150.80000113.8
326T24.9Very low26.3Very low138 Ų138135.8 Ų135.885%0.84780%0.801SS**  trans174.7167.7130.526.70000111.5
327S26.4Very low26.4Very low116 Ų116135.9 Ų135.981%0.81180%0.797SS**  trans85.8131.9167.5-53.50000118.3
328H23.8Very low26.2Very low189 Ų189138.2 Ų138.288%0.87580%0.804SS**  trans-78.2140.2-171.8-49-105.6000113.7
329V25.3Very low26.3Very low147 Ų147136.1 Ų136.189%0.89180%0.797SS**  trans-141.5149.1143.9-177.10000108.8
330V22.9Very low26.3Very low140 Ų140132.6 Ų132.685%0.84879%0.793SS**  trans-86.1131.1-178.81750000111.9
331A25.5Very low26.5Very low89 Ų89131.1 Ų131.174%0.73679%0.789SS**  trans-152.3126.1153.200000109.4
332A23Very low26.4Very low101 Ų101126.5 Ų126.584%0.83578%0.782SS**  trans-86.2119.2179.300000110.6
333V28.8Very low26.5Very low117 Ų117128 Ų12871%0.70979%0.786SS**  trans-123.5110.2176.8-179.50000108.9Q335V333-Q335 PolarHBondContact O-N 3.09Å
334N25.9Very low26.6Very low169 Ų169126.7 Ų126.790%0.90478%0.783SS**  trans-81.796.9177.5-82.1-37.3000110.9
335Q26.5Very low26.8Very low156 Ų156127.5 Ų127.573%0.72979%0.788SS**  trans-135124.9158.4-71.1-168.1300109.9V333V333-Q335 PolarHBondContact O-N 3.09Å
336P30.6Very low26.8Very low118 Ų118126 Ų12677%0.76679%0.789SS**  trans-76.9119.7163.930.8-29.9000109.3
337V28.2Very low26.8Very low113 Ų113124 Ų12469%0.68578%0.78SS**  trans-95.798.4170.3179.70000108.1T339V337-T339 VanDerWaalsContact C-N 3.3Å; V337-T339 PolarHBondContact O-N 3.22Å; V337-T339 PolarHBondContact O-OG1 3.49Å
338D29.9Very low26.8Very low153 Ų153124.5 Ų124.582%0.81878%0.783SS**  trans-67.288.1175.6-83.8-43.6000110.9A340D338-A340 VanDerWaalsContact C-N 3.26Å; D338-A340 PolarHBondContact O-N 3.03Å
339T27.5Very low26.8Very low115 Ų115121.4 Ų121.471%0.70678%0.777SS**  trans-78.178.7173.8-53.30000108.8V337 V341V337-T339 VanDerWaalsContact C-N 3.3Å; V337-T339 PolarHBondContact O-N 3.22Å; V337-T339 PolarHBondContact O-OG1 3.49Å; T339-V341 PolarHBondContact O-N 3.03Å
340A28.2Very low26.7Very low95 Ų95119.2 Ų119.279%0.78578%0.775SS**  trans-66.493.2177.100000111D338 G342D338-A340 VanDerWaalsContact C-N 3.26Å; D338-A340 PolarHBondContact O-N 3.03Å; A340-G342 PolarHBondContact O-N 3.43Å
341V28.2Very low26.8Very low120 Ų120119 Ų11973%0.72777%0.774SS**PPolyproline II helixtrans-62.8117.6170.21780000108.5T339 F343T339-V341 PolarHBondContact O-N 3.03Å; V341-F343 PolarHBondContact O-N 2.89Å
342G24.8Very low26.6Very low71 Ų71119 Ų11973%0.73277%0.774SS**PPolyproline II helixtrans-67.2120.7-174.400000113A340A340-G342 PolarHBondContact O-N 3.43Å
343F28.9Very low26.6Very low191 Ų191119.8 Ų119.884%0.83877%0.773SS**PPolyproline II helixtrans-79.3130.1162.1-71-87.1000109.5V341V341-F343 PolarHBondContact O-N 2.89Å
344S26.5Very low26.4Very low94 Ų94120.3 Ų120.366%0.65778%0.776SS**PPolyproline II helixtrans-65.4145.2176.2-59.10000111.7G346S344-G346 PolarHBondContact O-N 3.11Å
345P29.8Very low26.3Very low139 Ų139122.4 Ų122.490%0.90377%0.771SS**THydrogen-bonded Turntrans-61.7126.3174.526.1-33.9000110.3
346G26.5Very low26.4Very low75 Ų75121.1 Ų121.177%0.77378%0.777SS**THydrogen-bonded Turntrans130.8-12.1179.300000115.7S344 S348S344-G346 PolarHBondContact O-N 3.11Å; G346-S348 PolarHBondContact O-N 3.3Å
347C26.6Very low26.3Very low96 Ų96120.5 Ų120.565%0.64978%0.775SS**  trans-85.3103.5178.2-69.70000113V349C347-V349 PolarHBondContact O-N 2.7Å
348S24.8Very low26.5Very low127 Ų127123.1 Ų123.189%0.88879%0.785SS**  trans-69.8111.3172.5-53.20000112.1G346G346-S348 PolarHBondContact O-N 3.3Å
349V25.1Very low26.5Very low123 Ų123124.2 Ų124.275%0.74579%0.789SS**  trans-106.9115.4173.5-178.90000109.9C347C347-V349 PolarHBondContact O-N 2.7Å
350A22.7Very low26.7Very low102 Ų102121.9 Ų121.984%0.84379%0.788SS**  trans-90.311717700000110.9
351V24.4Very low27.1Very low136 Ų136124.7 Ų124.782%0.82479%0.79SS**  trans-95.5109.9175.4-178.40000109.5S353V351-S353 PolarHBondContact O-N 3.47Å
352A22.3Very low27.3Very low89 Ų89125.1 Ų125.174%0.73680%0.797SS**  trans-82.3111.3178.300000111.3V354A352-V354 PolarHBondContact O-N 3.09Å
353S23.2Very low27.6Very low116 Ų116125.2 Ų125.281%0.81180%0.798SS**  trans-78.1107172.4-1730000110.7V351V351-S353 PolarHBondContact O-N 3.47Å
354V24Very low27.5Very low129 Ų129128.4 Ų128.478%0.78280%0.804SS**PPolyproline II helixtrans-85.6116.1173.8-179.30000109.2A352A352-V354 PolarHBondContact O-N 3.09Å
355R23.5Very low27.8Very low213 Ų213130.6 Ų130.680%0.80481%0.813SS**PPolyproline II helixtrans-78.8130168.4-70.2-178.8178166.3-0.1109.6S357R355-S357 PolarHBondContact O-N 3.09Å
356P28.5Very low27.8Very low129 Ų129132.3 Ų132.384%0.83881%0.809SS**PPolyproline II helixtrans-69.1125.9167.528.9-32.3000109.2
357S29.5Very low28Very low105 Ų105135 Ų13573%0.73481%0.813SS**  trans-140.3117.4178.8-68.50000109.6R355R355-S357 PolarHBondContact O-N 3.09Å
358N30.8Very low28.3Very low168 Ų168140.1 Ų140.190%0.89882%0.824SS**  trans40.1101.8175.8-81.7-11.5000117.5G360N358-G360 PolarHBondContact O-N 2.84Å
359I31.1Very low28.5Very low175 Ų175139.7 Ų139.790%0.89782%0.822SS**  trans-70.899.5162-62.2174.9000108.6
360G31.6Very low28.8Very low67 Ų67141.6 Ų141.669%0.69183%0.826SS**  trans-85.7139.4165.400000111N358N358-G360 PolarHBondContact O-N 2.84Å
361N35.7Very low29.2Very low153 Ų153141.9 Ų141.982%0.81882%0.822SS**  trans-69.9146.3-173.4-93.9-19000114.4
362C32.2Very low29.6Very low130 Ų130142.6 Ų142.688%0.87882%0.819SS**  trans64.7105.6156.2-64.30000119
363G30.9Very low30Very low72 Ų72144.1 Ų144.174%0.74282%0.822SS**  trans-179.4109.516000000114V365G363-V365 PolarHBondContact O-N 2.97Å
364R28.1Very low30.5Very low259 Ų259148.5 Ų148.598%0.97783%0.826SS**  trans-70.6121.2168.9-83.4-175.3173.1-173.1-1.4109.8
365V31.5Very low31Very low139 Ų139153.8 Ų153.884%0.84283%0.832SS**  trans-132.7132.2162.7-174.20000108.6G363G363-V365 PolarHBondContact O-N 2.97Å
366Q30.9Very low31.6Very low175 Ų175149 Ų14982%0.81883%0.829SS**  trans-77.8151.2178.1-69.2-174.80.400111.3K368Q366-K368 PolarHBondContact O-N 3.18Å; Q366-K368 VanDerWaalsContact O-N 3.09Å
367P30.8Very low31.9Very low132 Ų132149 Ų14986%0.85783%0.829SS**  trans-66.7109.5176.227.8-34.5000110.9
368K32.3Very low32.1Very low203 Ų203148.8 Ų148.888%0.88383%0.833SS**PPolyproline II helixtrans-76.4129.5166.1-92.7-176.2173.31790109.8Q366 I370Q366-K368 PolarHBondContact O-N 3.18Å; Q366-K368 VanDerWaalsContact O-N 3.09Å; K368-I370 PolarHBondContact O-N 3.25Å
369S30.4Very low32.1Very low119 Ų119150.1 Ų150.183%0.83283%0.834SS**PPolyproline II helixtrans-59.3127.7176.8530000112.3
370I30.7Very low32Very low162 Ų162148.3 Ų148.383%0.83184%0.835SS**PPolyproline II helixtrans-92.7118.9165.4-63.7177.7000108.2K368K368-I370 PolarHBondContact O-N 3.25Å
371S31.4Very low32.1Very low109 Ų109150.7 Ų150.776%0.76284%0.841SS**PPolyproline II helixtrans-81.8119.5179.453.30000111.6
372I32.1Very low31.7Very low151 Ų151151.3 Ų151.377%0.77485%0.845SS**PPolyproline II helixtrans-79.6123.8171.9-57.7174.3000109.1K374I372-K374 PolarHBondContact O-N 3.23Å
373P31.5Very low31.7Very low121 Ų121150.2 Ų150.279%0.78684%0.839SS**PPolyproline II helixtrans-74.4117.7176.429.4-33000110.9R375P373-R375 PolarHBondContact O-N 2.91Å
374K33.7Very low31.7Very low207 Ų207155.3 Ų155.390%0.985%0.847SS**PPolyproline II helixtrans-72.8123.5170.6-66.1-179.2179179.80109.9I372I372-K374 PolarHBondContact O-N 3.23Å
375R34.5Very low31.8Very low240 Ų240146.7 Ų146.791%0.90684%0.838SS**PPolyproline II helixtrans-95.4143.7155.1-91.7-172173.6-176.8-1.2109.5P373P373-R375 PolarHBondContact O-N 2.91Å
376P36.3Very low31.6Very low113 Ų113147.5 Ų147.573%0.73484%0.837SS**PPolyproline II helixtrans-76.2155.1177.432.6-35.2000111.6
377P34.1Very low31.3Very low129 Ų129145.7 Ų145.784%0.83883%0.832SS**PPolyproline II helixtrans-75.6127.2171.831.3-32.5000110.4
378A34Very low31.1Very low101 Ų101145.5 Ų145.584%0.83583%0.828SS**PPolyproline II helixtrans-91.5127.1168.500000109.5
379Q30.1Very low30.9Very low195 Ų195141.5 Ų141.591%0.91183%0.826SS**PPolyproline II helixtrans-74.9140.8168.2-63.9170.5-45.500109.5
380C29.3Very low30.9Very low137 Ų137140.3 Ų140.393%0.92682%0.823SS**  trans-143.5129.9152.6-990000108.5
381S33.4Very low30.7Very low117 Ų117137.6 Ų137.682%0.81883%0.825SS**  trans-91.5161.7-178.549.30000112.5
382N28Very low30.8Very low166 Ų166139.1 Ų139.189%0.88883%0.829SS**  trans-56.1131.7177.6-57.4-29.7000113.4
383S33Very low31Very low108 Ų108136.4 Ų136.476%0.75583%0.83SS**  trans-165.7111139.957.80000112.9
384I30.1Very low31.1Very low179 Ų179139.9 Ų139.992%0.91884%0.836SS**  trans13.4120.5135.2-52.6163.5000116
385G29.9Very low31.3Very low77 Ų77133.4 Ų133.479%0.79482%0.82SS**  trans-175.3105.3172.800000115.8
386L27.6Very low31.5Very low156 Ų156130.3 Ų130.382%0.81782%0.816SS**  trans-57.2139.2-178.3-71.4153.3000116.9
387I25Very low31.7Very low138 Ų138131.8 Ų131.871%0.70881%0.814SS**  54.4113.9126.3-62.6-178.5000120.2
388V25.1Very low32Very low128 Ų128131.8 Ų131.878%0.77681%0.806SS**  trans49.7118.4135.8-176.60000120.1
389S28.9Very low32.3Very low119 Ų119132.7 Ų132.783%0.83280%0.796SS**  -165.4163.3121.2-85.70000112.6
390A29.8Very low33Very low94 Ų94129.1 Ų129.178%0.77778%0.78SS**  trans-81.5159.1-175.200000113.4
391A26.4Very low33.6Very low105 Ų105130.1 Ų130.187%0.86877%0.768SS**  trans-87137.4169.900000111.3
392T35Very low34Very low140 Ų140131.5 Ų131.586%0.85977%0.765SS**  trans-122.5141.3172.646.40000111.4
393A34.6Very low34.6Very low95 Ų95128.4 Ų128.479%0.78576%0.755SS**  trans-58.1156.1-171.500000117
394Q35.4Very low34.8Very low194 Ų194132.7 Ų132.791%0.90776%0.76SS**  -179.7159.7127.3-95.5165.918.800108.6
395A36.1Very low35.4Very low70 Ų70129.1 Ų129.158%0.57975%0.748SS**  cis-170.7179.2-32.700000107.9
396E39.9Very low35.8Very low176 Ų176133.5 Ų133.582%0.82275%0.748SS**  trans67.9142.6152.1-78.5160.7179.100119
397E39.7Very low36.2Very low144 Ų144136.6 Ų136.667%0.67375%0.75SS**  cis-164165.6-12.8-143.2-164.4150.800112.1
398L40.8Very low36.8Very low128 Ų128135 Ų13567%0.6775%0.752SS**  trans64.3143.6157.7-59.8-176.6000118.1
399N40.1Very low37.4Very low120 Ų120132.1 Ų132.164%0.64275%0.748SS**  cis-167.3-176.6-1.5-134.6-13.3000109.1
400H45.2Very low37.9Very low121 Ų121132.6 Ų132.656%0.5675%0.751SS**  cis-164.4165-6.9-152.822.5000110.3
401K41.6Very low38.2Very low158 Ų158133.3 Ų133.369%0.68775%0.75SS**  trans58.2143.6154.1-73.8169.9-171.2-39.10121
402L41.3Very low38.7Very low145 Ų145132.1 Ų132.176%0.75974%0.74SS**  cis-161.3-166.6-23.1-142.374.1000109.6
403P41.8Very low38.7Very low102 Ų102132 Ų13266%0.66273%0.73SS**  -128.1168.7-111.745.6-29.4000120.2
404K36.4Very low38.7Very low198 Ų198136.9 Ų136.986%0.86173%0.728SS**  trans14.5158.8133.8-63.7-175.7-179.41800120.9
405P43.2Very low38.6Very low104 Ų104135.2 Ų135.268%0.67572%0.72SS**  cis-154.8177.53745.1-23.5000122.1
406Q37.2Very low38.3Very low169 Ų169139.5 Ų139.579%0.7973%0.732SS**  trans59121.8143.9-78.6164.1-38.500124
407Y36.8Very low38.1Very low220 Ų220142.6 Ų142.686%0.86374%0.737SS**  -158.8176.592.1-129.6-97.8000112.9
408S37Very low38Very low106 Ų106141.8 Ų141.874%0.74174%0.744SS**  trans-104.9170.7-171.749.30000114
409G38.7Very low37.5Very low67 Ų67144 Ų14469%0.69176%0.756SS**  cis169-168.5-2.600000112.8
410S39.5Very low37.3Very low129 Ų129146.3 Ų146.390%0.90276%0.764SS**  trans66.8145.6177.1-78.10000117.8
411S36.4Very low37Very low108 Ų108145.9 Ų145.976%0.75577%0.772SS**  cis-156.9159.1-14.1-165.20000111.2
412A36.6Very low36.9Very low80 Ų80148 Ų14866%0.66178%0.781SS**  trans24.2144.7153.500000122.8
413E33.6Very low36.5Very low137 Ų137149.8 Ų149.864%0.6479%0.786SS**  cis-167.8151-7.8-116.4-177.1110.800110.7
414R35.8Very low36.2Very low199 Ų199156.6 Ų156.675%0.75180%0.798SS**  trans57.5142154.9-60.9178.8-153.2-165.79.8120
415Q34.1Very low36Very low159 Ų159153.1 Ų153.174%0.74379%0.794SS**  cis-167.1151.5-23.5-123.3168.97.500109
416L29Very low35.5Very low159 Ų159154.1 Ų154.183%0.83280%0.8SS**  trans56.4101156-58.3170.1000120.1
417R35.7Very low35.3Very low242 Ų242150.7 Ų150.791%0.91380%0.801SS**  trans-154.4134.6136.7-105.6178.4-158.1-1635.7110.6
418P37.1Very low35.1Very low126 Ų126145.2 Ų145.282%0.81880%0.795SS**PPolyproline II helixtrans-67.1154.9173.9-21.634.3000113.3M420P418-M420 PolarHBondContact O-N 3.45Å
419L31.5Very low34.9Very low176 Ų176146.9 Ų146.992%0.92180%0.801SS**PPolyproline II helixtrans-70.2117.7-178.5-66167.8000111.9
420M35.9Very low34.7Very low167 Ų167152.9 Ų152.982%0.82381%0.808SS**PPolyproline II helixtrans-82.1139.5168.8-67.4-99.266.600110.5P418P418-M420 PolarHBondContact O-N 3.45Å
421P37.2Very low34.1Very low112 Ų112151.7 Ų151.773%0.72780%0.799SS**PPolyproline II helixtrans-62.2149.4169.1-21.633.9000112
422K40.1Very low33.8Very low202 Ų202150 Ų15088%0.87879%0.786SS**PPolyproline II helixtrans-58.8144.3-178.6-72.2-176174.5-175.90113
423E32.4Very low33.2Very low183 Ų183156.8 Ų156.886%0.85579%0.794SS**PPolyproline II helixtrans-55.6148.2171.7-65.7168.498.300113.1
424R35.5Very low32.7Very low245 Ų245160.2 Ų160.293%0.92580%0.803SS**  trans-139.896.1163.1-84.3-174169.5-179.4-3.1109.4
425T33.8Very low32.1Very low126 Ų126156.8 Ų156.877%0.77380%0.804SS**  trans-89.7162157.647.20000109.5
426P31.9Very low31.6Very low124 Ų124157 Ų15781%0.80580%0.799SS**  -120.4176.8-54.936.6-25.5000110.6
427A31.9Very low31.3Very low98 Ų98154.3 Ų154.381%0.8180%0.799SS**  trans-135.2120170.300000109.8
428S33.4Very low30.7Very low105 Ų105150.2 Ų150.273%0.73479%0.785SS**  trans-72132.4-179.4500000111.9K430S428-K430 PolarHBondContact O-N 3.48Å
429T33.5Very low30Very low140 Ų140149.4 Ų149.486%0.85979%0.789SS**  trans-68.6114.6170.530.10000109.3
430K34Very low29.7Very low194 Ų194146.5 Ų146.584%0.84377%0.774SS**PPolyproline II helixtrans-79.6137.9-176.6-63.3-163.7174-1580111.6S428S428-K430 PolarHBondContact O-N 3.48Å
431S27.4Very low29.1Very low103 Ų103141.6 Ų141.672%0.7277%0.766SS**PPolyproline II helixtrans-55.5146.8177.5-152.20000112.3R433S431-R433 PolarHBondContact O-N 2.83Å
432P29.1Very low28.6Very low73 Ų73144 Ų14447%0.47477%0.767SS.*PPolyproline II helixtrans-66.8129.3-17726.4-35.3000112.3
433R23.5Very low28.1Very low222 Ų222140.4 Ų140.484%0.83876%0.763SS**PPolyproline II helixtrans-82.5121.8172.5-78.7-176.6163.2-171.3-8.8111.2S431S431-R433 PolarHBondContact O-N 2.83Å
434Y24.5Very low28.1Very low210 Ų210137.8 Ų137.882%0.82475%0.754SS**PPolyproline II helixtrans-72.9142.1161.3-63-78.5000109.9
435V23Very low27.9Very low127 Ų127130 Ų13077%0.7775%0.751SS**  trans-127.2114.9178.31790000108.7A437V435-A437 PolarHBondContact O-N 3.34Å; V435-A437 VanDerWaalsContact O-N 3.15Å
436Y23.2Very low27.7Very low164 Ų164132.6 Ų132.664%0.64375%0.754SS**  trans-70.2106.6170.6-77.4-79000109.9Y438 Y552Y436-Y438 PolarHBondContact O-N 2.92Å; Y436-Y438 VanDerWaalsContact O-N 3.11Å; Y436-Y552 PolarHBondContact OH-OH 3Å
437A22.5Very low27.4Very low101 Ų101134.5 Ų134.584%0.83576%0.758SS**  trans-79.389.6179.200000111.4V435V435-A437 PolarHBondContact O-N 3.34Å; V435-A437 VanDerWaalsContact O-N 3.15Å
438Y23.2Very low27.2Very low157 Ų157133.3 Ų133.362%0.61675%0.748SS**  trans-76.3126.5164.7-64.1-79.6000109.9Y436 L440 I476Y436-Y438 PolarHBondContact O-N 2.92Å; Y436-Y438 VanDerWaalsContact O-N 3.11Å; Y438-L440 PolarHBondContact O-N 3.23Å; Y438-I476 HydrophobicContact CD2-CG2 4.3Å; Y438-I476 HydrophobicContact CE2-CG2 4.4Å
439A22.9Very low26.7Very low109 Ų109139.5 Ų139.590%0.90176%0.755SS**  trans-75.185-178.400000111.8G441A439-G441 PolarHBondContact O-N 3.13Å
440L24.8Very low26.3Very low115 Ų115141.5 Ų141.560%0.60275%0.752SS**  trans-71.592.8168.7-74.2172.2000110.1Y438 E442 I476Y438-L440 PolarHBondContact O-N 3.23Å; L440-E442 PolarHBondContact O-N 2.92Å; L440-I476 HydrophobicContact CD1-CD1 4.39Å; L440-I476 HydrophobicContact CD2-CD1 4.21Å
441G23.3Very low26Very low63 Ų63137.5 Ų137.565%0.64975%0.749SS**  trans-76.2111.217300000111.6A439 T443A439-G441 PolarHBondContact O-N 3.13Å; G441-T443 PolarHBondContact O-N 3.36Å
442E26.9Very low25.9Very low163 Ų163140.8 Ų140.876%0.76276%0.758SS**  trans-6695.9169.8-70.7-168.2166.900110.9L440 N444L440-E442 PolarHBondContact O-N 2.92Å; E442-N444 PolarHBondContact O-N 3.11Å; E442-N444 PolarHBondContact OE2-ND2 3.45Å; E442-N444 VanDerWaalsContact OE2-ND2 3.09Å
443T28.8Very low25.7Very low127 Ų127140.8 Ų140.878%0.77977%0.771SS**  trans-74.578.317255.70000110.3G441 G445G441-T443 PolarHBondContact O-N 3.36Å; T443-G445 PolarHBondContact O-N 2.97Å
444N32.8Very low25.9Very low127 Ų127134.9 Ų134.968%0.67977%0.77SS**  trans-69.269.5-179.1-85.5-55.7000113.1E442 Q446E442-N444 PolarHBondContact O-N 3.11Å; E442-N444 PolarHBondContact OE2-ND2 3.45Å; E442-N444 VanDerWaalsContact OE2-ND2 3.09Å; N444-Q446 PolarHBondContact O-N 3.22Å
445G31.8Very low26.1Very low83 Ų83131.4 Ų131.486%0.85677%0.77SS**SBendtrans67.4-7.3157.400000118.7T443T443-G445 PolarHBondContact O-N 2.97Å
446Q29.7Very low26.3Very low180 Ų180130 Ų13084%0.84176%0.763SS**SBendtrans-125.8125.7-177.3-64.6-166.31.900112.5N444 A448N444-Q446 PolarHBondContact O-N 3.22Å; Q446-A448 PolarHBondContact O-N 2.89Å
447N25.8Very low26.4Very low164 Ų164131.6 Ų131.688%0.87777%0.77SS**  trans-25.575.5175.4-68-46.2000117.6R449N447-R449 PolarHBondContact O-N 2.67Å
448A26.5Very low26.6Very low73 Ų73134 Ų13460%0.60377%0.768SS**  trans-70.484.9157.600000108.6Q446 F450Q446-A448 PolarHBondContact O-N 2.89Å; A448-F450 PolarHBondContact O-N 3.05Å
449R23.9Very low26.8Very low235 Ų235133.9 Ų133.989%0.88778%0.778SS**  trans-61.2100.6164.1-86.9-175.7169.7178.9-3107.9N447 S451N447-R449 PolarHBondContact O-N 2.67Å; R449-S451 PolarHBondContact O-N 3.28Å
450F25.5Very low27Very low182 Ų182135.8 Ų135.880%0.79877%0.773SS**  trans-58.4109.7158.9-72.7-80.9000107.4A448 N452A448-F450 PolarHBondContact O-N 3.05Å; F450-N452 PolarHBondContact O-N 3.29Å
451S26.9Very low27.2Very low110 Ų110138.7 Ų138.777%0.76978%0.783SS**  trans-74.3113.6178.438.80000108.3R449 G453R449-S451 PolarHBondContact O-N 3.28Å; S451-G453 PolarHBondContact O-N 2.92Å
452N25.3Very low27.4Very low172 Ų172140.8 Ų140.892%0.9279%0.794SS**  trans-59.5107.3-179.5-74.6-23.7000110.6F450F450-N452 PolarHBondContact O-N 3.29Å
453G25.5Very low27.3Very low72 Ų72140 Ų14074%0.74280%0.795SS**  trans171.694.5-173.600000110.4S451S451-G453 PolarHBondContact O-N 2.92Å
454A27.9Very low27.2Very low99 Ų99138.8 Ų138.882%0.81880%0.798SS**SBendcis-135.1128.36.400000113.3
455V27.3Very low27Very low137 Ų137140.3 Ų140.383%0.8381%0.806SS**  trans-119.1123.9153.7171.30000103.9
456P27.8Very low26.8Very low96 Ų96144.9 Ų144.962%0.62381%0.805SS**  -158.779110.939.1-17.3000115.6
457Y25Very low26.7Very low198 Ų198142.1 Ų142.178%0.77680%0.804SS**SBendtrans-143.661.7160.4-77.7-60.7000113.5F566Y457-F566 HydrophobicContact CE2-CZ 4.5Å
458L27.9Very low27Very low152 Ų152139.5 Ų139.580%0.79679%0.793SS**  trans-157.734.6151.3-116.4171.7000112.6N460L458-N460 VanDerWaalsContact C-N 3.34Å; L458-N460 PolarHBondContact O-N 3.06Å
459N26.2Very low27.3Very low155 Ų155140.7 Ų140.783%0.82980%0.795SS**THydrogen-bonded Turntrans-82.279.5174.9-166.537.5000109.9
460N26.7Very low27.8Very low149 Ų149131.5 Ų131.580%0.79777%0.765SS**THydrogen-bonded Turntrans-17122.6158.4-101.1-7.3000116.3L458L458-N460 VanDerWaalsContact C-N 3.34Å; L458-N460 PolarHBondContact O-N 3.06Å
461H30.1Very low28.6Very low175 Ų175130.1 Ų130.181%0.8177%0.766SS**  trans-125.299.3154.5-83.1-66000109.9N463H461-N463 PolarHBondContact O-N 2.95Å
462A26.7Very low29.2Very low107 Ų107129 Ų12988%0.88475%0.751SS**  trans-76.659.5-178.800000112.5
463N26.2Very low30Very low147 Ų147125.6 Ų125.679%0.78674%0.737SS**  trans-124.173.6164.1-87.6-26.5000107.7H461 L465H461-N463 PolarHBondContact O-N 2.95Å; N463-L465 PolarHBondContact O-N 2.92Å
464A26.5Very low31.2Very low101 Ų101124.4 Ų124.484%0.83572%0.72SS**  trans-67.395175.200000109.2Q466A464-Q466 PolarHBondContact O-N 2.85Å
465L28.4Very low32Very low160 Ų160122.9 Ų122.984%0.83870%0.698SS**  trans-56.9111.5175.3-77170.2000109.2N463 C467N463-L465 PolarHBondContact O-N 2.92Å; L465-C467 PolarHBondContact O-N 3.21Å
466Q26.9Very low32.6Very low179 Ų179118.1 Ų118.184%0.83667%0.667SS**  trans-67.8102.4-177-171.9174.410.900109.2A464 V468A464-Q466 PolarHBondContact O-N 2.85Å; Q466-V468 PolarHBondContact O-N 2.93Å
467C27.4Very low33.2Very low122 Ų122116.6 Ų116.682%0.82466%0.659SS**  trans-64.695.3179.8-60.20000110.7L465L465-C467 PolarHBondContact O-N 3.21Å
468V32.5Very low34.7Very low108 Ų108115.3 Ų115.366%0.65565%0.653SS**  trans-68.7125.7172.3-178.40000108.6Q466 V470Q466-V468 PolarHBondContact O-N 2.93Å; V468-V470 WeakPolarHBondContact O-CG2 3.4Å; V468-V470 PolarHBondContact O-N 3.5Å
469P33.7Very low35.9Very low99 Ų99112.7 Ų112.764%0.64364%0.636SS**  trans-68.5116.217726.9-33.1000110.4N471P469-N471 PolarHBondContact O-N 3.22Å
470V32.4Very low36.6Very low41 Ų41107 Ų10725%0.24861%0.61CS.*  trans-92.4103.1-176.3-168.60000109.5V468 N472 D475 I476V468-V470 WeakPolarHBondContact O-CG2 3.4Å; V468-V470 PolarHBondContact O-N 3.5Å; V470-N472 VanDerWaalsContact C-N 3.31Å; V470-N472 PolarHBondContact O-N 3.47Å; V470-D475 HydrophobicContact CG1-CB 3.46Å; V470-D475 VanDerWaalsContact CG1-CB 3.46Å; V470-I476 HydrophobicContact CB-CG1 4.05Å; V470-I476 HydrophobicContact CG1-CG1 3.55Å
471N43.6Very low38.3Very low154 Ų154102.3 Ų102.382%0.82459%0.588SS**  trans-83.43.5-168.2-61.9-54.9000115P469P469-N471 PolarHBondContact O-N 3.22Å
472N38.3Very low40Very low87 Ų8799.1 Ų99.147%0.46557%0.573SS.*  trans-149.9139.2-175.4-172.7-4.8000111.3V470 A474 D475 I476V470-N472 VanDerWaalsContact C-N 3.31Å; V470-N472 PolarHBondContact O-N 3.47Å; N472-A474 PolarHBondContact O-N 2.91Å; N472-A474 PolarHBondContact OD1-N 3.37Å; N472-A474 VanDerWaalsContact OD1-N 3.16Å; N472-D475 WeakPolarHBondContact CB-OD2 3.3Å; N472-D475 PolarHBondContact O-N 3.23Å; N472-I476 PolarHBondContact O-N 2.86Å
473V43.3Very low41.9Very low100 Ų100100.2 Ų100.261%0.60656%0.558SS**Hα-helixtrans-58.5-33.9175.6-178.90000111.6D475 I476 S477V473-D475 VanDerWaalsContact C-N 3.27Å; V473-D475 PolarHBondContact O-N 2.77Å; V473-I476 PolarHBondContact O-N 3.45Å; V473-S477 PolarHBondContact O-N 2.9Å; V473-S477 PolarHBondContact O-OG 3.23Å
474A49.9Very low43.4Very low47 Ų4798 Ų9839%0.38854%0.543SS..Hα-helixtrans-66.5-25.9177.200000113.8N472 S477 R478N472-A474 PolarHBondContact O-N 2.91Å; N472-A474 PolarHBondContact OD1-N 3.37Å; N472-A474 VanDerWaalsContact OD1-N 3.16Å; A474-S477 PolarHBondContact O-OG 2.9Å; A474-S477 VanDerWaalsContact O-OG 3.1Å; A474-R478 WeakPolarHBondContact O-CB 3.44Å; A474-R478 PolarHBondContact O-N 2.89Å
475D45.5Very low45.2Very low67 Ų6794.3 Ų94.336%0.35851%0.509SS..Hα-helixtrans-82.1-33.4174.8-63.5-37.9000110.6V470 N472 V473 R478 Q479V470-D475 HydrophobicContact CG1-CB 3.46Å; V470-D475 VanDerWaalsContact CG1-CB 3.46Å; N472-D475 WeakPolarHBondContact CB-OD2 3.3Å; N472-D475 PolarHBondContact O-N 3.23Å; V473-D475 VanDerWaalsContact C-N 3.27Å; V473-D475 PolarHBondContact O-N 2.77Å; D475-R478 PolarHBondContact O-N 2.79Å; D475-Q479 WeakPolarHBondContact O-CB 3.41Å; D475-Q479 PolarHBondContact O-N 3.33Å
476I39.6Very low47.2Very low36 Ų3691.9 Ų91.919%0.18549%0.493CS..Hα-helixtrans-63.3-48171.9-59.1175.2000110.4Y438 L440 V470 N472 V473 R478 Q479 A480Y438-I476 HydrophobicContact CD2-CG2 4.3Å; Y438-I476 HydrophobicContact CE2-CG2 4.4Å; L440-I476 HydrophobicContact CD1-CD1 4.39Å; L440-I476 HydrophobicContact CD2-CD1 4.21Å; V470-I476 HydrophobicContact CB-CG1 4.05Å; V470-I476 HydrophobicContact CG1-CG1 3.55Å; N472-I476 PolarHBondContact O-N 2.86Å; V473-I476 PolarHBondContact O-N 3.45Å; I476-R478 PolarHBondContact O-N 2.88Å; I476-Q479 PolarHBondContact O-N 3.39Å; I476-A480 PolarHBondContact O-N 3.31Å
477S40.5Very low49.2Very low65 Ų6587.4 Ų87.446%0.45548%0.478SS..Hα-helixtrans-62.9-42.8177.560.70000111.4V473 A474 Q479 A480 T481V473-S477 PolarHBondContact O-N 2.9Å; V473-S477 PolarHBondContact O-OG 3.23Å; A474-S477 PolarHBondContact O-OG 2.9Å; A474-S477 VanDerWaalsContact O-OG 3.1Å; S477-Q479 VanDerWaalsContact C-N 3.3Å; S477-Q479 PolarHBondContact O-N 2.96Å; S477-A480 PolarHBondContact O-N 2.89Å; S477-T481 PolarHBondContact O-N 2.98Å; S477-T481 PolarHBondContact O-OG1 3.1Å; S477-T481 VanDerWaalsContact O-OG1 3.1Å
478R56.8Low50.8Low171 Ų17186.9 Ų86.965%0.64546%0.459SS*.Hα-helixtrans-59.7-40174.8-173.3-178.3-62.3177.62.4112.3A474 D475 I476 Q482A474-R478 WeakPolarHBondContact O-CB 3.44Å; A474-R478 PolarHBondContact O-N 2.89Å; D475-R478 PolarHBondContact O-N 2.79Å; I476-R478 PolarHBondContact O-N 2.88Å; R478-Q482 WeakPolarHBondContact O-CB 3.34Å; R478-Q482 PolarHBondContact O-N 3.02Å
479Q53.4Low52.7Low97 Ų9784.9 Ų84.945%0.45344%0.442SS..Hα-helixtrans-73.3-30.6178.4-171.5173.97000112.8D475 I476 S477 K483D475-Q479 WeakPolarHBondContact O-CB 3.41Å; D475-Q479 PolarHBondContact O-N 3.33Å; I476-Q479 PolarHBondContact O-N 3.39Å; S477-Q479 VanDerWaalsContact C-N 3.3Å; S477-Q479 PolarHBondContact O-N 2.96Å; Q479-K483 WeakPolarHBondContact O-CG 3.45Å; Q479-K483 PolarHBondContact O-N 2.91Å; Q479-K483 VanDerWaalsContact O-N 3.11Å
480A41.3Very low54.5Low34 Ų3483.6 Ų83.628%0.28144%0.435SS..Hα-helixtrans-64.4-55.5170.200000110.5I476 S477 Q482 K483 E484I476-A480 PolarHBondContact O-N 3.31Å; S477-A480 PolarHBondContact O-N 2.89Å; A480-Q482 PolarHBondContact O-N 3.32Å; A480-K483 WeakPolarHBondContact O-CA 3.39Å; A480-K483 WeakPolarHBondContact O-CB 3.28Å; A480-K483 PolarHBondContact O-N 3.1Å; A480-E484 WeakPolarHBondContact O-CG 3.47Å; A480-E484 PolarHBondContact O-N 3.2Å
481T62.2Low56.3Low52 Ų5285.1 Ų85.132%0.31944%0.44SS..Hα-helixtrans-59.5-32.4177.8-52.70000112.8S477 E484 N485 L514S477-T481 PolarHBondContact O-N 2.98Å; S477-T481 PolarHBondContact O-OG1 3.1Å; S477-T481 VanDerWaalsContact O-OG1 3.1Å; T481-E484 VanDerWaalsContact CA-OE2 3.24Å; T481-E484 WeakPolarHBondContact CA-OE2 3.34Å; T481-E484 PolarHBondContact N-OE2 3.16Å; T481-N485 WeakPolarHBondContact O-CB 3.46Å; T481-N485 PolarHBondContact O-N 3.28Å; T481-N485 PolarHBondContact O-ND2 3.44Å; T481-L514 HydrophobicContact CG2-CD2 3.7Å
482Q65.5Low57.5Low107 Ų10778.9 Ų78.950%0.541%0.408SS..Hα-helixtrans-67.5-41.9171.3-175.5-179-21.800112.4R478 A480 N485 E486R478-Q482 WeakPolarHBondContact O-CB 3.34Å; R478-Q482 PolarHBondContact O-N 3.02Å; A480-Q482 PolarHBondContact O-N 3.32Å; Q482-N485 VanDerWaalsContact O-CB 3.28Å; Q482-N485 WeakPolarHBondContact O-CB 3.35Å; Q482-N485 PolarHBondContact O-N 2.97Å; Q482-E486 PolarHBondContact NE2-OE1 3.41Å; Q482-E486 WeakPolarHBondContact O-CG 3.48Å; Q482-E486 PolarHBondContact O-N 3.22Å
483K65.3Low59.2Low130 Ų13078.7 Ų78.757%0.56541%0.41SS*.Hα-helixtrans-66.9-38.3175.6-77.5-178.4174.7-177.20112.1Q479 A480 N485 E486 V487Q479-K483 WeakPolarHBondContact O-CG 3.45Å; Q479-K483 PolarHBondContact O-N 2.91Å; Q479-K483 VanDerWaalsContact O-N 3.11Å; A480-K483 WeakPolarHBondContact O-CA 3.39Å; A480-K483 WeakPolarHBondContact O-CB 3.28Å; A480-K483 PolarHBondContact O-N 3.1Å; K483-N485 VanDerWaalsContact C-N 3.34Å; K483-E486 PolarHBondContact O-N 3.18Å; K483-V487 WeakPolarHBondContact O-CG2 3.35Å; K483-V487 PolarHBondContact O-N 3.49Å
484E59.3Low60.7Low102 Ų10279.2 Ų79.248%0.47741%0.406SS..Hα-helixtrans-61.4-44.3174.3-70.9158.5156.800110.1A480 T481 E486 V487 Y488A480-E484 WeakPolarHBondContact O-CG 3.47Å; A480-E484 PolarHBondContact O-N 3.2Å; T481-E484 VanDerWaalsContact CA-OE2 3.24Å; T481-E484 WeakPolarHBondContact CA-OE2 3.34Å; T481-E484 PolarHBondContact N-OE2 3.16Å; E484-E486 PolarHBondContact O-N 3.34Å; E484-V487 PolarHBondContact O-N 3.22Å; E484-Y488 WeakPolarHBondContact O-CD2 3.34Å; E484-Y488 PolarHBondContact O-N 3.25Å
485N63.3Low61.6Low22 Ų2281 Ų8112%0.11841%0.405CS..Hα-helixtrans-54.3-49.2169-95.2-90.1000113.6T481 Q482 K483 V487 Y488 K489 L514T481-N485 WeakPolarHBondContact O-CB 3.46Å; T481-N485 PolarHBondContact O-N 3.28Å; T481-N485 PolarHBondContact O-ND2 3.44Å; Q482-N485 VanDerWaalsContact O-CB 3.28Å; Q482-N485 WeakPolarHBondContact O-CB 3.35Å; Q482-N485 PolarHBondContact O-N 2.97Å; K483-N485 VanDerWaalsContact C-N 3.34Å; N485-V487 VanDerWaalsContact C-N 3.34Å; N485-Y488 PolarHBondContact O-N 3.2Å; N485-K489 VanDerWaalsContact O-CB 3.28Å; N485-K489 WeakPolarHBondContact O-CB 3.34Å; N485-K489 WeakPolarHBondContact O-CG 3.04Å; N485-K489 PolarHBondContact O-N 3.1Å; N485-K489 PolarHBondContact OD1-NZ 2.96Å; N485-L514 WeakPolarHBondContact ND2-CD2 3.28Å
486E69.9Low62.9Low110 Ų11079.7 Ų79.751%0.51440%0.398SS..Hα-helixtrans-64.9-38.4-177.8-75172.3-163.800111.3Q482 K483 E484 S490Q482-E486 PolarHBondContact NE2-OE1 3.41Å; Q482-E486 WeakPolarHBondContact O-CG 3.48Å; Q482-E486 PolarHBondContact O-N 3.22Å; K483-E486 PolarHBondContact O-N 3.18Å; E484-E486 PolarHBondContact O-N 3.34Å; E486-S490 WeakPolarHBondContact O-CB 3.44Å; E486-S490 PolarHBondContact O-N 2.86Å
487V69.1Low64.7Low85 Ų8587 Ų8752%0.51542%0.423SS..Hα-helixtrans-66.2-47.7173.4172.90000111.3K483 E484 N485 K489 S490 M491K483-V487 WeakPolarHBondContact O-CG2 3.35Å; K483-V487 PolarHBondContact O-N 3.49Å; E484-V487 PolarHBondContact O-N 3.22Å; N485-V487 VanDerWaalsContact C-N 3.34Å; V487-K489 PolarHBondContact O-N 3.42Å; V487-S490 WeakPolarHBondContact O-CB 3.35Å; V487-S490 PolarHBondContact O-N 3.39Å; V487-M491 HydrophobicContact CG1-CE 4.19Å; V487-M491 WeakPolarHBondContact O-CG 3.39Å; V487-M491 PolarHBondContact O-N 3.09Å
488Y61.9Low66.2Low111 Ų11189.2 Ų89.244%0.43543%0.43SS..Hα-helixtrans-62.1-42.7176.4-92.3-80.9000112.7E484 N485 S490 M491 V492E484-Y488 WeakPolarHBondContact O-CD2 3.34Å; E484-Y488 PolarHBondContact O-N 3.25Å; N485-Y488 PolarHBondContact O-N 3.2Å; Y488-S490 VanDerWaalsContact C-N 3.31Å; Y488-S490 PolarHBondContact O-N 3.37Å; Y488-M491 HydrophobicContact CD1-CE 3.66Å; Y488-M491 HydrophobicContact CD2-CE 4.31Å; Y488-M491 HydrophobicContact CE1-CE 3.86Å; Y488-M491 HydrophobicContact CE2-CE 4.48Å; Y488-M491 HydrophobicContact CG-CE 3.91Å; Y488-M491 PolarHBondContact O-N 3.06Å; Y488-V492 WeakPolarHBondContact O-CG2 3.33Å; Y488-V492 PolarHBondContact O-N 3.41Å
489K72.1Confident66.5Low65 Ų6584.1 Ų84.128%0.28341%0.413SS..Hα-helixtrans-68.6-30.1177.1-74.5162.9177.2159.90111.8N485 V487 T493 V510 D511N485-K489 VanDerWaalsContact O-CB 3.28Å; N485-K489 WeakPolarHBondContact O-CB 3.34Å; N485-K489 WeakPolarHBondContact O-CG 3.04Å; N485-K489 PolarHBondContact O-N 3.1Å; N485-K489 PolarHBondContact OD1-NZ 2.96Å; V487-K489 PolarHBondContact O-N 3.42Å; K489-T493 WeakPolarHBondContact O-CB 3.39Å; K489-T493 PolarHBondContact O-N 3.35Å; K489-T493 VanDerWaalsContact O-N 3.09Å; K489-T493 PolarHBondContact O-OG1 3.05Å; K489-V510 HydrophobicContact CG-CB 4.38Å; K489-V510 HydrophobicContact CG-CG1 4.23Å; K489-V510 HydrophobicContact CG-CG2 4.25Å; K489-D511 IonicContact NZ-OD1 2.67Å; K489-D511 PolarHBondContact NZ-OD1 2.96Å; K489-D511 IonicContact NZ-OD2 3.79Å
490S72Confident66.8Low72 Ų7283.4 Ų83.450%0.50342%0.416SS..Hα-helixtrans-65.4-49.7167.4-169.10000111.9E486 V487 Y488 V492 T493 E494E486-S490 WeakPolarHBondContact O-CB 3.44Å; E486-S490 PolarHBondContact O-N 2.86Å; V487-S490 WeakPolarHBondContact O-CB 3.35Å; V487-S490 PolarHBondContact O-N 3.39Å; Y488-S490 VanDerWaalsContact C-N 3.31Å; Y488-S490 PolarHBondContact O-N 3.37Å; S490-V492 PolarHBondContact O-N 3.05Å; S490-T493 WeakPolarHBondContact O-CB 3.46Å; S490-T493 PolarHBondContact O-N 3.26Å; S490-T493 VanDerWaalsContact O-N 3.11Å; S490-E494 PolarHBondContact O-N 3.16Å
491M68.8Low67.7Low73 Ų7389.2 Ų89.236%0.3644%0.443SS..Hα-helixtrans-60.4-42.9179.1-70.5-171.1-63.200112.5V487 Y488 T493 E494 F495V487-M491 HydrophobicContact CG1-CE 4.19Å; V487-M491 WeakPolarHBondContact O-CG 3.39Å; V487-M491 PolarHBondContact O-N 3.09Å; Y488-M491 HydrophobicContact CD1-CE 3.66Å; Y488-M491 HydrophobicContact CD2-CE 4.31Å; Y488-M491 HydrophobicContact CE1-CE 3.86Å; Y488-M491 HydrophobicContact CE2-CE 4.48Å; Y488-M491 HydrophobicContact CG-CE 3.91Å; Y488-M491 PolarHBondContact O-N 3.06Å; M491-T493 VanDerWaalsContact C-N 3.32Å; M491-T493 PolarHBondContact O-N 3.15Å; M491-E494 PolarHBondContact O-N 2.93Å; M491-F495 WeakPolarHBondContact O-CB 3.44Å; M491-F495 PolarHBondContact O-N 3.47Å
492V70.2Confident67.4Low23 Ų2392 Ų9214%0.13945%0.452CS..Hα-helixtrans-64.1-37.3175170.30000111.4Y488 S490 N496 I505 V510Y488-V492 WeakPolarHBondContact O-CG2 3.33Å; Y488-V492 PolarHBondContact O-N 3.41Å; S490-V492 PolarHBondContact O-N 3.05Å; V492-N496 VanDerWaalsContact O-CB 3.3Å; V492-N496 WeakPolarHBondContact O-CB 3.36Å; V492-N496 VanDerWaalsContact O-CG 3.26Å; V492-N496 PolarHBondContact O-N 2.85Å; V492-N496 PolarHBondContact O-ND2 2.65Å; V492-N496 VanDerWaalsContact O-ND2 3.09Å; V492-I505 HydrophobicContact CG1-CB 4.14Å; V492-I505 HydrophobicContact CG1-CG2 4Å; V492-I505 HydrophobicContact CG2-CG2 4.37Å; V492-V510 HydrophobicContact CG2-CG2 3.97Å
493T73.3Confident66.9Low84 Ų8493.3 Ų93.352%0.51547%0.467SS..Hα-helixtrans-67.5-38.5175.6-59.50000112.1K489 S490 M491 R497K489-T493 WeakPolarHBondContact O-CB 3.39Å; K489-T493 PolarHBondContact O-N 3.35Å; K489-T493 VanDerWaalsContact O-N 3.09Å; K489-T493 PolarHBondContact O-OG1 3.05Å; S490-T493 WeakPolarHBondContact O-CB 3.46Å; S490-T493 PolarHBondContact O-N 3.26Å; S490-T493 VanDerWaalsContact O-N 3.11Å; M491-T493 VanDerWaalsContact C-N 3.32Å; M491-T493 PolarHBondContact O-N 3.15Å; T493-R497 WeakPolarHBondContact O-CB 3.48Å; T493-R497 PolarHBondContact O-N 3.09Å; T493-R497 VanDerWaalsContact O-N 3.09Å
494E73.8Confident66.5Low111 Ų11194.1 Ų94.152%0.51947%0.47SS..Hα-helixtrans-70.9-42.9176.9-173.7169.3-174.800112.2S490 M491 N496 R497 N498S490-E494 PolarHBondContact O-N 3.16Å; M491-E494 PolarHBondContact O-N 2.93Å; E494-N496 PolarHBondContact O-N 3.11Å; E494-R497 WeakPolarHBondContact O-CB 3.46Å; E494-R497 PolarHBondContact O-N 2.96Å; E494-R497 VanDerWaalsContact O-N 3.09Å; E494-N498 PolarHBondContact O-N 2.93Å
495F69.5Low66.5Low85 Ų8592.1 Ų92.137%0.37346%0.462SS..Hα-helixtrans-57.4-50.6173.3-175.7-87.8000111.5M491 R497 N498 K499 I505M491-F495 WeakPolarHBondContact O-CB 3.44Å; M491-F495 PolarHBondContact O-N 3.47Å; F495-R497 PolarHBondContact O-N 2.75Å; F495-N498 PolarHBondContact O-N 3.3Å; F495-N498 VanDerWaalsContact O-N 3.16Å; F495-K499 HydrophobicContact CZ-CD 4.33Å; F495-K499 PolarHBondContact O-N 2.88Å; F495-K499 VanDerWaalsContact O-N 3.11Å; F495-I505 HydrophobicContact CD1-CD1 3.63Å; F495-I505 HydrophobicContact CD1-CG1 4.19Å; F495-I505 HydrophobicContact CE1-CD1 3.61Å; F495-I505 HydrophobicContact CE1-CG1 4.1Å; F495-I505 HydrophobicContact CG-CD1 4.33Å; F495-I505 HydrophobicContact CZ-CD1 4.29Å
496N73.7Confident66.2Low39 Ų3993.9 Ų93.921%0.20948%0.476CS..Hα-helixtrans-65.7-17.8176.9-74.4-33.8000113.7V492 E494 K504 I505V492-N496 VanDerWaalsContact O-CB 3.3Å; V492-N496 WeakPolarHBondContact O-CB 3.36Å; V492-N496 VanDerWaalsContact O-CG 3.26Å; V492-N496 PolarHBondContact O-N 2.85Å; V492-N496 PolarHBondContact O-ND2 2.65Å; V492-N496 VanDerWaalsContact O-ND2 3.09Å; E494-N496 PolarHBondContact O-N 3.11Å; N496-K504 WeakPolarHBondContact OD1-CA 3.41Å; N496-I505 PolarHBondContact ND2-O 2.84Å; N496-I505 PolarHBondContact OD1-N 3.41Å
497R77.2Confident65.5Low189 Ų18991.9 Ų91.971%0.71348%0.475SS*.Hα-helixtrans-83.4-38.6172.1177.8-178.1-73166.3-2.6111.7T493 E494 F495T493-R497 WeakPolarHBondContact O-CB 3.48Å; T493-R497 PolarHBondContact O-N 3.09Å; T493-R497 VanDerWaalsContact O-N 3.09Å; E494-R497 WeakPolarHBondContact O-CB 3.46Å; E494-R497 PolarHBondContact O-N 2.96Å; E494-R497 VanDerWaalsContact O-N 3.09Å; F495-R497 PolarHBondContact O-N 2.75Å
498N72.1Confident64.9Low112 Ų11292.3 Ų92.360%0.59947%0.474SS*.Hα-helixtrans-80.9-15.3-176.1-67.6-14.7000113.3E494 F495E494-N498 PolarHBondContact O-N 2.93Å; F495-N498 PolarHBondContact O-N 3.3Å; F495-N498 VanDerWaalsContact O-N 3.16Å
499K63.4Low64.5Low64 Ų6490.2 Ų90.228%0.27847%0.473SS..  trans-134.786.5173.2-75.5-177157.7-1620111.6F495 D501 E502F495-K499 HydrophobicContact CZ-CD 4.33Å; F495-K499 PolarHBondContact O-N 2.88Å; F495-K499 VanDerWaalsContact O-N 3.11Å; K499-D501 VanDerWaalsContact C-N 3.35Å; K499-E502 WeakPolarHBondContact CD-OE2 3.39Å; K499-E502 WeakPolarHBondContact CE-OE2 3.44Å; K499-E502 IonicContact NZ-OE1 3.5Å; K499-E502 IonicContact NZ-OE2 3.64Å; K499-E502 PolarHBondContact NZ-OE2 3.38Å
500P58.6Low63.3Low81 Ų8187.8 Ų87.853%0.52646%0.464SS..SBendtrans-73.2-23.8-179.628.8-34.7000114.3
501D59.8Low62Low157 Ų15787.6 Ų87.684%0.8446%0.457SS*.SBendtrans-102-2.4-169.2-54.2-51.3000114.6K499K499-D501 VanDerWaalsContact C-N 3.35Å
502E55.6Low60.7Low110 Ų11089.3 Ų89.351%0.51447%0.468SS..SBendtrans-103.6171.9170.6-81.3-179.2-17700111.1K499 K504K499-E502 WeakPolarHBondContact CD-OE2 3.39Å; K499-E502 WeakPolarHBondContact CE-OE2 3.44Å; K499-E502 IonicContact NZ-OE1 3.5Å; K499-E502 IonicContact NZ-OE2 3.64Å; K499-E502 PolarHBondContact NZ-OE2 3.38Å; E502-K504 PolarHBondContact O-N 3.23Å
503V55.5Low59.2Low134 Ų13490.4 Ų90.481%0.81247%0.474SS*.  trans-58.5112-172.1-178.80000111.1I505V503-I505 PolarHBondContact O-N 2.9Å
504K56.6Low57.6Low147 Ų14788.2 Ų88.264%0.63946%0.459SS*.PPolyproline II helixtrans-60.4118.3175.8-70.9-179178.91750110.5N496 E502 S506N496-K504 WeakPolarHBondContact OD1-CA 3.41Å; E502-K504 PolarHBondContact O-N 3.23Å; K504-S506 PolarHBondContact O-N 2.93Å
505I59.2Low55.9Low60 Ų6089.1 Ų89.131%0.30847%0.466SS..PPolyproline II helixtrans-68.4117172.4-58.4177.5000106.9V492 F495 N496 V503 V509V492-I505 HydrophobicContact CG1-CB 4.14Å; V492-I505 HydrophobicContact CG1-CG2 4Å; V492-I505 HydrophobicContact CG2-CG2 4.37Å; F495-I505 HydrophobicContact CD1-CD1 3.63Å; F495-I505 HydrophobicContact CD1-CG1 4.19Å; F495-I505 HydrophobicContact CE1-CD1 3.61Å; F495-I505 HydrophobicContact CE1-CG1 4.1Å; F495-I505 HydrophobicContact CG-CD1 4.33Å; F495-I505 HydrophobicContact CZ-CD1 4.29Å; N496-I505 PolarHBondContact ND2-O 2.84Å; N496-I505 PolarHBondContact OD1-N 3.41Å; V503-I505 PolarHBondContact O-N 2.9Å; I505-V509 HydrophobicContact CG2-CB 4.47Å; I505-V509 HydrophobicContact CG2-CG2 4.45Å
506S57.4Low54.1Low59 Ų5992.5 Ų92.541%0.41348%0.483SS..PPolyproline II helixtrans-70.9146.4178.383.20000110.2K504 N508 V509K504-S506 PolarHBondContact O-N 2.93Å; S506-N508 PolarHBondContact O-N 3.34Å; S506-N508 VanDerWaalsContact O-N 3.13Å; S506-V509 PolarHBondContact O-N 3.35Å
507S56.9Low52.3Low68 Ų6894.9 Ų94.948%0.47649%0.493SS..THydrogen-bonded Turntrans-53.8-31.6175.441.70000112.9V509 V510S507-V509 PolarHBondContact O-N 3.33Å; S507-V510 WeakPolarHBondContact O-CB 3.4Å; S507-V510 PolarHBondContact O-N 3.04Å
508N56.2Low50.4Low94 Ų9492.1 Ų92.150%0.50350%0.497SS..Hα-helixtrans-66.3-25.4-173.4-50.817.2000112.1S506 V510 D511 D512S506-N508 PolarHBondContact O-N 3.34Å; S506-N508 VanDerWaalsContact O-N 3.13Å; N508-V510 PolarHBondContact O-N 3.48Å; N508-D511 PolarHBondContact O-N 3.13Å; N508-D512 PolarHBondContact O-N 3.19Å
509V52.2Low48.8Very low68 Ų6893.5 Ų93.541%0.41250%0.504SS..Hα-helixtrans-60.6-32.5174.2-177.10000111I505 S506 S507 V513I505-V509 HydrophobicContact CG2-CB 4.47Å; I505-V509 HydrophobicContact CG2-CG2 4.45Å; S506-V509 PolarHBondContact O-N 3.35Å; S507-V509 PolarHBondContact O-N 3.33Å; V509-V513 HydrophobicContact CG1-CG2 4.41Å; V509-V513 WeakPolarHBondContact O-CB 3.27Å; V509-V513 VanDerWaalsContact O-CG2 3.22Å; V509-V513 WeakPolarHBondContact O-CG2 3.22Å; V509-V513 PolarHBondContact O-N 2.95Å; V509-V513 VanDerWaalsContact O-N 3.1Å
510V47Very low47.2Very low14 Ų1497.6 Ų97.69%0.08553%0.529CS..Hα-helixtrans-67.2-41174.8-1740000110.6K489 V492 S507 N508 L514K489-V510 HydrophobicContact CG-CB 4.38Å; K489-V510 HydrophobicContact CG-CG1 4.23Å; K489-V510 HydrophobicContact CG-CG2 4.25Å; V492-V510 HydrophobicContact CG2-CG2 3.97Å; S507-V510 WeakPolarHBondContact O-CB 3.4Å; S507-V510 PolarHBondContact O-N 3.04Å; N508-V510 PolarHBondContact O-N 3.48Å; V510-L514 WeakPolarHBondContact O-CB 3.24Å; V510-L514 PolarHBondContact O-N 2.85Å; V510-L514 VanDerWaalsContact O-N 3.16Å
511D45.8Very low46.2Very low67 Ų6796.6 Ų96.636%0.35852%0.522SS..Hα-helixtrans-70.6-40.9-179.6-59.6-55.5000111.9K489 N508 L514 I515K489-D511 IonicContact NZ-OD1 2.67Å; K489-D511 PolarHBondContact NZ-OD1 2.96Å; K489-D511 IonicContact NZ-OD2 3.79Å; N508-D511 PolarHBondContact O-N 3.13Å; D511-L514 PolarHBondContact O-N 3.22Å; D511-I515 WeakPolarHBondContact O-CD1 3.39Å; D511-I515 VanDerWaalsContact O-CG1 3.27Å; D511-I515 WeakPolarHBondContact O-CG1 3.36Å; D511-I515 PolarHBondContact O-N 3.04Å
512D42.1Very low45.4Very low110 Ų11092.3 Ų92.359%0.58850%0.502SS*.Hα-helixtrans-66-41.1176.7-77-33000112.7N508 I515N508-D512 PolarHBondContact O-N 3.19Å; D512-I515 PolarHBondContact O-N 3.41Å
513V37.2Very low44.5Very low45 Ų4592.2 Ų92.227%0.27351%0.511SS..Hα-helixtrans-62.5-44175.3166.80000110.5V509 I515 Q516 M526V509-V513 HydrophobicContact CG1-CG2 4.41Å; V509-V513 WeakPolarHBondContact O-CB 3.27Å; V509-V513 VanDerWaalsContact O-CG2 3.22Å; V509-V513 WeakPolarHBondContact O-CG2 3.22Å; V509-V513 PolarHBondContact O-N 2.95Å; V509-V513 VanDerWaalsContact O-N 3.1Å; V513-I515 VanDerWaalsContact C-N 3.29Å; V513-I515 PolarHBondContact O-N 3.22Å; V513-Q516 PolarHBondContact O-N 3.2Å; V513-Q516 VanDerWaalsContact O-N 3.15Å; V513-M526 HydrophobicContact CG1-CE 3.6Å
514L40.3Very low43.9Very low39 Ų3992.9 Ų92.920%0.20451%0.507CS..Hα-helixtrans-67.2-28.4-178.2-135.288.7000113.9T481 N485 V510 D511 Q516 E517T481-L514 HydrophobicContact CG2-CD2 3.7Å; N485-L514 WeakPolarHBondContact ND2-CD2 3.28Å; V510-L514 WeakPolarHBondContact O-CB 3.24Å; V510-L514 PolarHBondContact O-N 2.85Å; V510-L514 VanDerWaalsContact O-N 3.16Å; D511-L514 PolarHBondContact O-N 3.22Å; L514-Q516 PolarHBondContact O-N 3.06Å; L514-E517 WeakPolarHBondContact CD1-OE2 3.47Å; L514-E517 WeakPolarHBondContact CG-OE2 3.41Å; L514-E517 PolarHBondContact O-N 2.91Å
515I37.7Very low43.1Very low129 Ų12990.6 Ų90.666%0.66250%0.498SS*.Hα-helixtrans-67.3-20177.5-73164000111.4D511 D512 V513D511-I515 WeakPolarHBondContact O-CD1 3.39Å; D511-I515 VanDerWaalsContact O-CG1 3.27Å; D511-I515 WeakPolarHBondContact O-CG1 3.36Å; D511-I515 PolarHBondContact O-N 3.04Å; D512-I515 PolarHBondContact O-N 3.41Å; V513-I515 VanDerWaalsContact C-N 3.29Å; V513-I515 PolarHBondContact O-N 3.22Å
516Q31.3Very low42.1Very low156 Ų15690.7 Ų90.773%0.72950%0.498SS*.Hα-helixtrans-84.5-18.5174.3-61.4-169.6-8.200114V513 L514 T518 L519V513-Q516 PolarHBondContact O-N 3.2Å; V513-Q516 VanDerWaalsContact O-N 3.15Å; L514-Q516 PolarHBondContact O-N 3.06Å; Q516-T518 PolarHBondContact O-N 2.95Å; Q516-L519 PolarHBondContact O-N 3.22Å
517E37.2Very low41.4Very low89 Ų8990 Ų9042%0.41650%0.496SS..THydrogen-bonded Turntrans-67.19.2-173.7-66.2-176167.700116L514 L519L514-E517 WeakPolarHBondContact CD1-OE2 3.47Å; L514-E517 WeakPolarHBondContact CG-OE2 3.41Å; L514-E517 PolarHBondContact O-N 2.91Å; E517-L519 VanDerWaalsContact C-N 3.32Å
518T37Very low40.7Very low132 Ų13294.6 Ų94.681%0.8151%0.51SS*.THydrogen-bonded Turntrans-84.1-5.3174.649.80000114.3Q516Q516-T518 PolarHBondContact O-N 2.95Å
519L38.1Very low40.1Very low140 Ų14097.4 Ų97.473%0.73352%0.519SS*.SBendtrans-132.5138.2165.6-80.9143.1000107.7Q516 E517 P521Q516-L519 PolarHBondContact O-N 3.22Å; E517-L519 VanDerWaalsContact C-N 3.32Å; L519-P521 WeakPolarHBondContact O-CD 3.35Å
520D30.7Very low39.5Very low150 Ų150101.5 Ų101.580%0.80253%0.529SS*.  trans-64128.4-167-46.1-95.1000113.3
521P36.8Very low39.1Very low60 Ų60105.8 Ų105.839%0.3956%0.557SS.*  trans-122.4142.4134.236.5-32.5000111.2L519 E525 M526L519-P521 WeakPolarHBondContact O-CD 3.35Å; P521-E525 HydrophobicContact CB-CB 3.89Å; P521-M526 HydrophobicContact CB-CG 4.45Å; P521-M526 HydrophobicContact CG-CG 4.14Å
522T42.5Very low38.8Very low68 Ų68108.7 Ų108.742%0.41756%0.564SS.*  trans-69.4160.7169.1620000111.5M524 E525 M526T522-M524 PolarHBondContact O-N 2.7Å; T522-E525 VanDerWaalsContact CB-OE2 3.26Å; T522-E525 WeakPolarHBondContact CB-OE2 3.31Å; T522-E525 WeakPolarHBondContact CG2-OE2 3.39Å; T522-E525 PolarHBondContact N-OE2 3.4Å; T522-E525 PolarHBondContact O-N 3.4Å; T522-E525 PolarHBondContact OG1-N 3.21Å; T522-E525 PolarHBondContact OG1-OE2 3.03Å; T522-M526 PolarHBondContact O-N 3.44Å; T522-M526 VanDerWaalsContact O-N 3.08Å
523P36.9Very low38.7Very low108 Ų108112.6 Ų112.670%0.70158%0.578SS**Hα-helixtrans-56.4-20.6173.6-28.436.7000115
524M42.1Very low38.9Very low147 Ų147113.7 Ų113.772%0.72458%0.582SS**Hα-helixtrans-77.5-40.9169.8-77.2-165.1-70.900112.6T522 M526 A527 H528T522-M524 PolarHBondContact O-N 2.7Å; M524-M526 VanDerWaalsContact C-N 3.27Å; M524-M526 PolarHBondContact O-N 2.9Å; M524-A527 WeakPolarHBondContact O-CB 3.28Å; M524-A527 PolarHBondContact O-N 2.88Å; M524-H528 PolarHBondContact O-CD2 2.95Å; M524-H528 PolarHBondContact O-N 2.74Å; M524-H528 VanDerWaalsContact O-N 3.1Å
525E41.1Very low39.1Very low99 Ų99120 Ų12046%0.46361%0.605SS.*Hα-helixtrans-66.4-30.8177.6-72.8158.5120.100112.1P521 T522 H528 H529P521-E525 HydrophobicContact CB-CB 3.89Å; T522-E525 VanDerWaalsContact CB-OE2 3.26Å; T522-E525 WeakPolarHBondContact CB-OE2 3.31Å; T522-E525 WeakPolarHBondContact CG2-OE2 3.39Å; T522-E525 PolarHBondContact N-OE2 3.4Å; T522-E525 PolarHBondContact O-N 3.4Å; T522-E525 PolarHBondContact OG1-N 3.21Å; T522-E525 PolarHBondContact OG1-OE2 3.03Å; E525-H528 PolarHBondContact O-N 2.88Å; E525-H529 PolarHBondContact O-N 2.94Å; E525-H529 PolarHBondContact O-ND1 2.78Å
526M37.2Very low39.4Very low62 Ų62119.3 Ų119.331%0.30560%0.597SS.*Hα-helixtrans-61.9-40.9168.2-64.3-179.377.900112.4V513 P521 T522 M524 H528 H529V513-M526 HydrophobicContact CG1-CE 3.6Å; P521-M526 HydrophobicContact CB-CG 4.45Å; P521-M526 HydrophobicContact CG-CG 4.14Å; T522-M526 PolarHBondContact O-N 3.44Å; T522-M526 VanDerWaalsContact O-N 3.08Å; M524-M526 VanDerWaalsContact C-N 3.27Å; M524-M526 PolarHBondContact O-N 2.9Å; M526-H528 VanDerWaalsContact C-N 3.3Å; M526-H528 PolarHBondContact O-N 3.44Å; M526-H529 PolarHBondContact O-N 2.89Å
527A42.7Very low39.9Very low44 Ų44113.8 Ų113.836%0.36458%0.575SS.*Hα-helixtrans-68.3-29.1177.500000112.6M524 F541M524-A527 WeakPolarHBondContact O-CB 3.28Å; M524-A527 PolarHBondContact O-N 2.88Å; A527-F541 HydrophobicContact CB-CE1 3.78Å; A527-F541 HydrophobicContact CB-CZ 4.13Å
528H42.4Very low40.6Very low166 Ų166112.5 Ų112.577%0.76957%0.571SS**Hα-helixtrans-75.4-26.2173.5-85.7-89000113.9M524 E525 M526M524-H528 PolarHBondContact O-CD2 2.95Å; M524-H528 PolarHBondContact O-N 2.74Å; M524-H528 VanDerWaalsContact O-N 3.1Å; E525-H528 PolarHBondContact O-N 2.88Å; M526-H528 VanDerWaalsContact C-N 3.3Å; M526-H528 PolarHBondContact O-N 3.44Å
529H44.4Very low41.8Very low152 Ų152109.1 Ų109.170%0.70456%0.556SS**Hα-helixtrans-76.3-18.6179.4-96.279.2000114.6E525 M526 P531E525-H529 PolarHBondContact O-N 2.94Å; E525-H529 PolarHBondContact O-ND1 2.78Å; M526-H529 PolarHBondContact O-N 2.89Å; H529-P531 VanDerWaalsContact O-CD 3.29Å; H529-P531 WeakPolarHBondContact O-CD 3.42Å
530Y39.1Very low42.5Very low155 Ų155106.2 Ų106.261%0.60854%0.541SS*.  trans-115.586.4178.4-76.9-83.7000111.6Y532Y530-Y532 WeakPolarHBondContact O-CD2 3.47Å; Y530-Y532 PolarHBondContact O-N 2.93Å
531P37.9Very low43.5Very low103 Ų103103 Ų10367%0.66952%0.52SS*.  trans-6893.2170.828.9-34.2000109.9H529 Q533H529-P531 VanDerWaalsContact O-CD 3.29Å; H529-P531 WeakPolarHBondContact O-CD 3.42Å; P531-Q533 PolarHBondContact O-N 2.78Å
532Y41.1Very low44.9Very low129 Ų129105.5 Ų105.551%0.50653%0.525SS..  trans-61.999.4169.7-80.3-83.2000109.6Y530 D534 C537Y530-Y532 WeakPolarHBondContact O-CD2 3.47Å; Y530-Y532 PolarHBondContact O-N 2.93Å; Y532-D534 PolarHBondContact O-N 3.25Å; Y532-C537 HydrophobicContact CD1-CB 3.39Å; Y532-C537 HydrophobicContact CE1-CB 4.01Å; Y532-C537 HydrophobicContact CG-CB 3.93Å
533Q39.2Very low45.9Very low192 Ų192105.7 Ų105.790%0.89753%0.529SS*.SBendtrans-67.8-12.3180-64.2-176.1-3.700113.3P531P531-Q533 PolarHBondContact O-N 2.78Å
534D41.2Very low46.8Very low67 Ų67104 Ų10436%0.35852%0.519SS..SBendtrans-95.6116.6168.8-165.9-29000110.6Y532 K536 C537 D538Y532-D534 PolarHBondContact O-N 3.25Å; D534-K536 PolarHBondContact O-N 3.06Å; D534-K536 VanDerWaalsContact O-N 3.13Å; D534-K536 VanDerWaalsContact OD1-CB 3.31Å; D534-K536 WeakPolarHBondContact OD1-CB 3.46Å; D534-K536 WeakPolarHBondContact OD1-CG 3.39Å; D534-K536 PolarHBondContact OD1-N 3.46Å; D534-C537 WeakPolarHBondContact O-CB 3.32Å; D534-C537 PolarHBondContact O-N 3.29Å; D534-D538 PolarHBondContact O-N 3.4Å
535Y45.4Very low47.6Very low173 Ų17399.9 Ų99.968%0.67850%0.502SS*.Hα-helixtrans-55.7-24.7176.158.2-85.8000113.5A539Y535-A539 WeakPolarHBondContact O-CB 3.38Å; Y535-A539 PolarHBondContact O-N 3.15Å
536K44.2Very low48.4Very low114 Ų11496.6 Ų96.650%0.49650%0.495SS..Hα-helixtrans-70.4-35.3174.1-62.6174.2-177.5168.80112.1D534 L540D534-K536 PolarHBondContact O-N 3.06Å; D534-K536 VanDerWaalsContact O-N 3.13Å; D534-K536 VanDerWaalsContact OD1-CB 3.31Å; D534-K536 WeakPolarHBondContact OD1-CB 3.46Å; D534-K536 WeakPolarHBondContact OD1-CG 3.39Å; D534-K536 PolarHBondContact OD1-N 3.46Å; K536-L540 WeakPolarHBondContact O-CG 3.32Å; K536-L540 PolarHBondContact O-N 3.46Å
537C41.2Very low49.2Very low39 Ų3997.3 Ų97.326%0.26450%0.503SS..Hα-helixtrans-76-38-179.5-66.80000111.4Y532 D534 L540 F541Y532-C537 HydrophobicContact CD1-CB 3.39Å; Y532-C537 HydrophobicContact CE1-CB 4.01Å; Y532-C537 HydrophobicContact CG-CB 3.93Å; D534-C537 WeakPolarHBondContact O-CB 3.32Å; D534-C537 PolarHBondContact O-N 3.29Å; C537-L540 PolarHBondContact O-N 3.18Å; C537-F541 VanDerWaalsContact O-CB 3.32Å; C537-F541 WeakPolarHBondContact O-CB 3.48Å; C537-F541 PolarHBondContact O-N 3.43Å
538D50.9Low49.3Very low63 Ų6399.7 Ų99.734%0.33751%0.509SS..Hα-helixtrans-58.6-46.1169.6175.961.6000111.8D534 L540 F541 K542D534-D538 PolarHBondContact O-N 3.4Å; D538-L540 PolarHBondContact O-N 2.97Å; D538-F541 PolarHBondContact O-N 2.96Å; D538-K542 WeakPolarHBondContact O-CB 3.45Å; D538-K542 WeakPolarHBondContact O-CG 3.19Å; D538-K542 PolarHBondContact O-N 3.23Å; D538-K542 WeakPolarHBondContact OD1-CE 3.44Å; D538-K542 IonicContact OD1-NZ 2.65Å; D538-K542 PolarHBondContact OD1-NZ 2.71Å; D538-K542 IonicContact OD2-NZ 2.75Å; D538-K542 PolarHBondContact OD2-NZ 3.08Å
539A61.9Low49.7Very low60 Ų6094.6 Ų94.650%0.49649%0.492SS..Hα-helixtrans-61.9-42.6176.200000112.9Y535 S543Y535-A539 WeakPolarHBondContact O-CB 3.38Å; Y535-A539 PolarHBondContact O-N 3.15Å; A539-S543 WeakPolarHBondContact O-CB 3.5Å; A539-S543 PolarHBondContact O-N 3.1Å
540L53.8Low49.9Very low80 Ų8094.7 Ų94.742%0.41949%0.492SS..Hα-helixtrans-66.3-42.9175.3-74.5170.7000112K536 C537 D538 S543 C544K536-L540 WeakPolarHBondContact O-CG 3.32Å; K536-L540 PolarHBondContact O-N 3.46Å; C537-L540 PolarHBondContact O-N 3.18Å; D538-L540 PolarHBondContact O-N 2.97Å; L540-S543 WeakPolarHBondContact O-CB 3.42Å; L540-S543 PolarHBondContact O-N 2.71Å; L540-C544 PolarHBondContact O-N 2.97Å; L540-C544 PolarHBondContact O-SG 2.89Å; L540-C544 VanDerWaalsContact O-SG 3.35Å
541F52.3Low50.1Low83 Ų8392.3 Ų92.336%0.36449%0.49SS..Hα-helixtrans-63.9-42.1178.4-174-97.2000111.6A527 C537 D538 C544 T545A527-F541 HydrophobicContact CB-CE1 3.78Å; A527-F541 HydrophobicContact CB-CZ 4.13Å; C537-F541 VanDerWaalsContact O-CB 3.32Å; C537-F541 WeakPolarHBondContact O-CB 3.48Å; C537-F541 PolarHBondContact O-N 3.43Å; D538-F541 PolarHBondContact O-N 2.96Å; F541-C544 PolarHBondContact O-N 3.17Å; F541-T545 HydrophobicContact CD1-CG2 4.2Å; F541-T545 HydrophobicContact CE1-CG2 3.79Å; F541-T545 HydrophobicContact CE2-CG2 4.34Å; F541-T545 HydrophobicContact CZ-CG2 3.87Å; F541-T545 WeakPolarHBondContact O-CB 3.29Å; F541-T545 WeakPolarHBondContact O-CG2 3.07Å; F541-T545 PolarHBondContact O-N 2.76Å; F541-T545 PolarHBondContact O-OG1 2.93Å
542K64.5Low50.1Low111 Ų11194.4 Ų94.448%0.48349%0.485SS..Hα-helixtrans-64.1-38.5172.3-75.7168.4176.8158.20112.6D538 T545 G546D538-K542 WeakPolarHBondContact O-CB 3.45Å; D538-K542 WeakPolarHBondContact O-CG 3.19Å; D538-K542 PolarHBondContact O-N 3.23Å; D538-K542 WeakPolarHBondContact OD1-CE 3.44Å; D538-K542 IonicContact OD1-NZ 2.65Å; D538-K542 PolarHBondContact OD1-NZ 2.71Å; D538-K542 IonicContact OD2-NZ 2.75Å; D538-K542 PolarHBondContact OD2-NZ 3.08Å; K542-T545 WeakPolarHBondContact CA-OG1 3.46Å; K542-T545 PolarHBondContact O-OG1 3.31Å; K542-G546 PolarHBondContact O-N 2.91Å
543S64.2Low50.3Low73 Ų7393.4 Ų93.451%0.5149%0.488SS..Hα-helixtrans-63.5-46173.5-166.90000111.9A539 L540 T547A539-S543 WeakPolarHBondContact O-CB 3.5Å; A539-S543 PolarHBondContact O-N 3.1Å; L540-S543 WeakPolarHBondContact O-CB 3.42Å; L540-S543 PolarHBondContact O-N 2.71Å; S543-T547 WeakPolarHBondContact O-CB 3.48Å; S543-T547 PolarHBondContact O-N 3.34Å; S543-T547 PolarHBondContact O-OG1 3.19Å
544C55.2Low50.2Low73 Ų7385.4 Ų85.449%0.49346%0.457SS..Hα-helixtrans-67.6-44.4179.5-68.70000112.1L540 F541 T547 L548L540-C544 PolarHBondContact O-N 2.97Å; L540-C544 PolarHBondContact O-SG 2.89Å; L540-C544 VanDerWaalsContact O-SG 3.35Å; F541-C544 PolarHBondContact O-N 3.17Å; C544-T547 PolarHBondContact O-N 3.1Å; C544-L548 WeakPolarHBondContact O-CB 3.4Å; C544-L548 WeakPolarHBondContact O-CG 3.31Å; C544-L548 PolarHBondContact O-N 3.42Å
545T59Low50Low60 Ų6085.7 Ų85.737%0.36846%0.464SS..Hα-helixtrans-67.5-35.2177.148.70000112.5F541 K542 L548 S549F541-T545 HydrophobicContact CD1-CG2 4.2Å; F541-T545 HydrophobicContact CE1-CG2 3.79Å; F541-T545 HydrophobicContact CE2-CG2 4.34Å; F541-T545 HydrophobicContact CZ-CG2 3.87Å; F541-T545 WeakPolarHBondContact O-CB 3.29Å; F541-T545 WeakPolarHBondContact O-CG2 3.07Å; F541-T545 PolarHBondContact O-N 2.76Å; F541-T545 PolarHBondContact O-OG1 2.93Å; K542-T545 WeakPolarHBondContact CA-OG1 3.46Å; K542-T545 PolarHBondContact O-OG1 3.31Å; T545-L548 PolarHBondContact O-N 2.77Å; T545-S549 PolarHBondContact O-N 3.43Å
546G57.8Low49.6Very low29 Ų2981.9 Ų81.930%0.29946%0.459SS..Hα-helixtrans-64-43.9169.600000112.9K542 L548 S549 E550K542-G546 PolarHBondContact O-N 2.91Å; G546-L548 VanDerWaalsContact C-N 3.32Å; G546-L548 PolarHBondContact O-N 3.4Å; G546-S549 PolarHBondContact O-N 2.91Å; G546-S549 PolarHBondContact O-OG 3.03Å; G546-E550 PolarHBondContact O-N 2.63Å
547T54.9Low49.4Very low78 Ų7879.7 Ų79.748%0.47946%0.458SS..Hα-helixtrans-63.7-39.2175.9-510000111.3S543 C544 L551S543-T547 WeakPolarHBondContact O-CB 3.48Å; S543-T547 PolarHBondContact O-N 3.34Å; S543-T547 PolarHBondContact O-OG1 3.19Å; C544-T547 PolarHBondContact O-N 3.1Å; T547-L551 HydrophobicContact CG2-CD1 4.28Å; T547-L551 WeakPolarHBondContact O-CB 3.37Å; T547-L551 VanDerWaalsContact O-CG 3.28Å; T547-L551 WeakPolarHBondContact O-CG 3.26Å; T547-L551 PolarHBondContact O-N 3.37Å
548L45.1Very low49.2Very low94 Ų9484.3 Ų84.349%0.49248%0.476SS..Hα-helixtrans-67.5-37174.9-73.1170.2000112.3C544 T545 G546 L551 Y552C544-L548 WeakPolarHBondContact O-CB 3.4Å; C544-L548 WeakPolarHBondContact O-CG 3.31Å; C544-L548 PolarHBondContact O-N 3.42Å; T545-L548 PolarHBondContact O-N 2.77Å; G546-L548 VanDerWaalsContact C-N 3.32Å; G546-L548 PolarHBondContact O-N 3.4Å; L548-L551 PolarHBondContact O-N 3.34Å; L548-Y552 WeakPolarHBondContact O-CB 3.39Å; L548-Y552 PolarHBondContact O-N 3.45Å
549S51.2Low48.6Very low58 Ų5892 Ų9241%0.40650%0.5SS..Hα-helixtrans-69.5-40.5176.470.60000111.9T545 G546 Y552 I553T545-S549 PolarHBondContact O-N 3.43Å; G546-S549 PolarHBondContact O-N 2.91Å; G546-S549 PolarHBondContact O-OG 3.03Å; S549-Y552 PolarHBondContact O-N 2.79Å; S549-I553 WeakPolarHBondContact O-CB 3.04Å; S549-I553 VanDerWaalsContact O-CG1 3.26Å; S549-I553 WeakPolarHBondContact O-CG1 3.4Å; S549-I553 PolarHBondContact O-N 3.02Å
550E47.6Very low47.4Very low154 Ų15498.6 Ų98.672%0.7252%0.518SS*.Hα-helixtrans-63.7-40.4171.8-73.8-163.1175.900112.2G546 Y552 I553 G554G546-E550 PolarHBondContact O-N 2.63Å; E550-Y552 VanDerWaalsContact C-N 3.3Å; E550-Y552 PolarHBondContact O-N 2.84Å; E550-I553 PolarHBondContact O-N 3.3Å; E550-G554 PolarHBondContact O-N 3.23Å
551L42.5Very low46.6Very low106 Ų10698.2 Ų98.256%0.55553%0.526SS*.Hα-helixtrans-62.9-35.2173.2-75.6168.7000112.5T547 L548 S555T547-L551 HydrophobicContact CG2-CD1 4.28Å; T547-L551 WeakPolarHBondContact O-CB 3.37Å; T547-L551 VanDerWaalsContact O-CG 3.28Å; T547-L551 WeakPolarHBondContact O-CG 3.26Å; T547-L551 PolarHBondContact O-N 3.37Å; L548-L551 PolarHBondContact O-N 3.34Å; L551-S555 WeakPolarHBondContact O-CB 3.33Å; L551-S555 PolarHBondContact O-N 2.79Å; L551-S555 PolarHBondContact O-OG 3.48Å
552Y38.9Very low45.8Very low146 Ų146102.4 Ų102.457%0.57355%0.546SS*.Hα-helixtrans-73.4-39.6177.9-153.9-96.6000112.2Y436 L548 S549 E550 T556Y436-Y552 PolarHBondContact OH-OH 3Å; L548-Y552 WeakPolarHBondContact O-CB 3.39Å; L548-Y552 PolarHBondContact O-N 3.45Å; S549-Y552 PolarHBondContact O-N 2.79Å; E550-Y552 VanDerWaalsContact C-N 3.3Å; E550-Y552 PolarHBondContact O-N 2.84Å; Y552-T556 WeakPolarHBondContact O-CG2 3.45Å; Y552-T556 PolarHBondContact O-N 3.08Å; Y552-T556 PolarHBondContact O-OG1 2.91Å
553I46Very low44.3Very low108 Ų108105 Ų10555%0.55457%0.566SS**Hα-helixtrans-71.2-39.9175.7-66.6165.9000110.6S549 E550 T556 S557S549-I553 WeakPolarHBondContact O-CB 3.04Å; S549-I553 VanDerWaalsContact O-CG1 3.26Å; S549-I553 WeakPolarHBondContact O-CG1 3.4Å; S549-I553 PolarHBondContact O-N 3.02Å; E550-I553 PolarHBondContact O-N 3.3Å; I553-T556 PolarHBondContact O-N 2.99Å; I553-T556 PolarHBondContact O-OG1 2.68Å; I553-S557 VanDerWaalsContact O-CB 3.31Å; I553-S557 WeakPolarHBondContact O-CB 3.26Å; I553-S557 PolarHBondContact O-N 2.91Å; I553-S557 PolarHBondContact O-OG 2.92Å
554G35.7Very low42.8Very low24 Ų24107 Ų10725%0.24758%0.579CS.*Hα-helixtrans-60.1-54171.800000111.7E550 T556 S557 E558E550-G554 PolarHBondContact O-N 3.23Å; G554-T556 PolarHBondContact O-N 2.78Å; G554-S557 PolarHBondContact O-N 3.15Å; G554-S557 PolarHBondContact O-OG 3.38Å; G554-E558 PolarHBondContact O-N 2.93Å
555S38.5Very low41.6Very low73 Ų73107.6 Ų107.651%0.5159%0.589SS.*Hα-helixtrans-59.3-22.1179.7-62.30000114.3L551L551-S555 WeakPolarHBondContact O-CB 3.33Å; L551-S555 PolarHBondContact O-N 2.79Å; L551-S555 PolarHBondContact O-OG 3.48Å
556T36.8Very low40.3Very low93 Ų93112.6 Ų112.657%0.57161%0.606SS**Hα-helixtrans-98.4-19.517750.70000113.9Y552 I553 G554Y552-T556 WeakPolarHBondContact O-CG2 3.45Å; Y552-T556 PolarHBondContact O-N 3.08Å; Y552-T556 PolarHBondContact O-OG1 2.91Å; I553-T556 PolarHBondContact O-N 2.99Å; I553-T556 PolarHBondContact O-OG1 2.68Å; G554-T556 PolarHBondContact O-N 2.78Å
557S38.6Very low39.2Very low68 Ų68119.6 Ų119.648%0.47664%0.635SS.*Hα-helixtrans-94.5-37178.455.50000113.8I553 G554 R559 K560I553-S557 VanDerWaalsContact O-CB 3.31Å; I553-S557 WeakPolarHBondContact O-CB 3.26Å; I553-S557 PolarHBondContact O-N 2.91Å; I553-S557 PolarHBondContact O-OG 2.92Å; G554-S557 PolarHBondContact O-N 3.15Å; G554-S557 PolarHBondContact O-OG 3.38Å; S557-R559 PolarHBondContact O-N 2.85Å; S557-K560 PolarHBondContact O-N 3Å; S557-K560 VanDerWaalsContact O-N 3.1Å
558E38.4Very low38.2Very low137 Ų137120.2 Ų120.264%0.6464%0.643SS**G310 helixtrans-60.4-32.4177.7-71.2-170.512600112.2G554 K560 A561G554-E558 PolarHBondContact O-N 2.93Å; E558-K560 PolarHBondContact O-N 3.41Å; E558-A561 PolarHBondContact O-N 3.31Å
559R37.5Very low37.8Very low225 Ų225125.2 Ų125.285%0.84966%0.66SS**G310 helixtrans-67.78.6176.2-67.9-172.1173.9-168-0.1115.3S557S557-R559 PolarHBondContact O-N 2.85Å
560K37.8Very low37Very low198 Ų198134.4 Ų134.486%0.86169%0.686SS**G310 helixtrans-124.7-0.6170.8-150.4171.2-178.4178.90114.4S557 E558S557-K560 PolarHBondContact O-N 3Å; S557-K560 VanDerWaalsContact O-N 3.1Å; E558-K560 PolarHBondContact O-N 3.41Å
561A35.6Very low36.5Very low71 Ų71131.2 Ų131.259%0.58769%0.686SS**THydrogen-bonded Turntrans-91.8-34.1174.800000112.8E558 N563E558-A561 PolarHBondContact O-N 3.31Å; A561-N563 PolarHBondContact O-N 2.7Å
562E35.3Very low36.1Very low172 Ų172132.5 Ų132.580%0.80470%0.703SS**THydrogen-bonded Turntrans-80.969.8-174.9-60.3-165.9133.800113.5
563N34Very low36Very low166 Ų166135 Ų13589%0.88872%0.719SS**THydrogen-bonded Turntrans-154.511.3171.2-113.9-52.4000116.8A561A561-N563 PolarHBondContact O-N 2.7Å
564S32.9Very low35.5Very low114 Ų114133.2 Ų133.280%0.79773%0.728SS**SBendtrans-116.62-175.659.70000115.6
565A30.2Very low35.6Very low85 Ų85137.8 Ų137.870%0.70276%0.756SS**  trans-136.748.5-165.200000115.4
566F30.9Very low35.8Very low166 Ų166138.6 Ų138.673%0.72877%0.767SS**  trans-146.965.4170.6-118.8-72000115.5Y457Y457-F566 HydrophobicContact CE2-CZ 4.5Å
567I33.9Very low35.9Very low175 Ų175143 Ų14390%0.89778%0.781SS**  trans-87.4105.1162.3-61.1178.8000108.5
568S34.2Very low36.1Very low92 Ų92144.8 Ų144.864%0.64379%0.794SS**  trans-80.8128.9176.4-72.50000112
569K37.3Very low36.3Very low198 Ų198145.6 Ų145.686%0.86180%0.802SS**  trans-62.7147.7173.5-68.6179.9175.5179.80112.1
570R34Very low36.7Very low251 Ų251139.2 Ų139.295%0.94779%0.792SS**  trans-128.6146.2131.3-69.6-169.1-175.7178.52.8108.1
571A36.5Very low36.9Very low87 Ų87137 Ų13772%0.71979%0.79SS**  trans-109.2169.7-178.300000111
572C35.9Very low37.6Very low134 Ų134140 Ų14091%0.90580%0.8SS**  trans-126.2147.3155.8-69.10000107.3
573E36.7Very low38Very low197 Ų197136.1 Ų136.192%0.92180%0.798SS**  trans-112.8163.2-172.6-57.5171.8135.100110.4
574G34.6Very low38.7Very low72 Ų72134.1 Ų134.174%0.74279%0.794SS**  trans151.3114.5163.600000116.1
575S38.7Very low39.3Very low119 Ų119135.7 Ų135.783%0.83280%0.799SS**  trans62.9133.8171.4-56.40000116.6
576A41.6Very low39.9Very low90 Ų90140.5 Ų140.574%0.74481%0.812SS**  cis72.2132.741.200000112
577E40.1Very low40.6Very low185 Ų185136 Ų13686%0.86481%0.812SS**  cis-140.5141.916.6-64.9177.5109.500110.6
578S41.7Very low40.8Very low107 Ų107140.1 Ų140.175%0.74882%0.817SS**  86.1155.7100.4-163.20000117.5
579L43.6Very low41.2Very low153 Ų153139.7 Ų139.780%0.80183%0.826SS**  trans68.4118.7179.8-55.6166.1000115.4
580S44.4Very low41.5Very low92 Ų92135.2 Ų135.264%0.64382%0.82SS**  cis76.8134.349.582.80000113.3
581D43.5Very low42.1Very low151 Ų151132.2 Ų132.281%0.80782%0.816SS**  cis-164.4-166.94.7-146-45.3000110.6
582V49.4Very low42.3Very low134 Ų134133.4 Ų133.481%0.81282%0.815SS**  trans84.9134.9165.4-166.70000117.4
583A45Very low42.8Very low90 Ų90134.8 Ų134.874%0.74481%0.813SS**  trans-137-162.5-175.900000111.4
584P47.2Very low43.4Very low124 Ų124132 Ų13281%0.80581%0.809SS**  -123.5171-124.437.3-18.4000116.9
585T45Very low43.7Very low148 Ų148132.1 Ų132.191%0.90881%0.811SS**  trans-139.9156170.739.70000114.5
586L43.9Very low43.8Very low185 Ų185132.4 Ų132.497%0.96981%0.813SS**  trans-87.6158.5-166.6-64.4128.2000115.7
587G45.3Very low44Very low72 Ų72133.3 Ų133.374%0.74281%0.814SS**  trans17189162.200000111
588R39.3Very low44.3Very low262 Ų262130.3 Ų130.399%0.98981%0.808SS**  6084.975.5-158.6-179.4-152.9-112.33113.7
589G42.5Very low44.1Very low82 Ų82132.9 Ų132.985%0.84581%0.813SS**  trans-142.6146.216500000109.5
590S43.3Very low44Very low105 Ų105134.9 Ų134.973%0.73482%0.815SS**  trans-129.8142.1-173.6178.10000110.6
591H46.9Very low43.5Very low187 Ų187135.8 Ų135.887%0.86682%0.822SS**  trans-155.4152.5135.6-121-87.1000110.6
592T40.7Very low43.2Very low113 Ų113132.8 Ų132.869%0.69382%0.818SS**  trans-99.9149.8-176.351.90000112
593D46.5Very low42.6Very low163 Ų163129.1 Ų129.187%0.87280%0.802SS**  trans-148.5161.3141-135-34.9000112.2
594V48.8Very low42.5Very low137 Ų137130.8 Ų130.883%0.8381%0.805SS**  trans-111.3117.9-162.7178.90000112.3
595G41.2Very low42.3Very low76 Ų76133.7 Ų133.778%0.78481%0.805SS**  trans-138.2101.1174.600000112.2
596S40.6Very low41.9Very low124 Ų124134.3 Ų134.387%0.86780%0.798SS**  trans-77.8129.3179.7-171.20000111.6
597S45.6Very low41.8Very low110 Ų110131 Ų13177%0.76978%0.781SS**  trans-142.8146.2169.2-169.40000110.5N599S597-N599 PolarHBondContact O-N 3.42Å
598V46.6Very low41.3Very low121 Ų121132.4 Ų132.473%0.73378%0.779SS**  trans-90111.1-163179.80000111.7K600V598-K600 VanDerWaalsContact C-N 3.29Å; V598-K600 HydrophobicContact CG1-CG 4.36Å; V598-K600 PolarHBondContact O-N 2.92Å
599N38Very low41.1Very low162 Ų162125.4 Ų125.487%0.86677%0.765SS**  trans-67.384.4165.7-73.2-19.5000110.5S597 S601S597-N599 PolarHBondContact O-N 3.42Å; N599-S601 PolarHBondContact O-N 3.22Å
600K40.8Very low41.2Very low194 Ų194124.1 Ų124.184%0.84374%0.742SS**  trans-69101.7168.2-99.8-173.3173.7-177.50109.3V598 A602V598-K600 VanDerWaalsContact C-N 3.29Å; V598-K600 HydrophobicContact CG1-CG 4.36Å; V598-K600 PolarHBondContact O-N 2.92Å; K600-A602 VanDerWaalsContact C-N 3.34Å; K600-A602 PolarHBondContact O-N 3.49Å
601S34Very low41Very low112 Ų112123.5 Ų123.578%0.78374%0.737SS**  trans-63.991.5170179.10000110.4N599 A603N599-S601 PolarHBondContact O-N 3.22Å; S601-A603 PolarHBondContact O-N 3.42Å; S601-A603 VanDerWaalsContact O-N 3.08Å
602A36.6Very low40.9Very low87 Ų87119 Ų11972%0.71973%0.727SS**  trans-78.378.5163.100000108.5K600K600-A602 VanDerWaalsContact C-N 3.34Å; K600-A602 PolarHBondContact O-N 3.49Å
603A37.2Very low41.4Very low58 Ų58121.7 Ų121.748%0.47973%0.725SS.*  trans-56.6146.8165.900000109S601 F605S601-A603 PolarHBondContact O-N 3.42Å; S601-A603 VanDerWaalsContact O-N 3.08Å; A603-F605 PolarHBondContact O-N 3.14Å; A603-F605 VanDerWaalsContact O-N 3.14Å
604P42.9Very low42Very low125 Ų125119.4 Ų119.481%0.81272%0.716SS**  trans-54.6126170.125.4-33.5000107.5H606P604-H606 PolarHBondContact O-N 3.12Å
605F43.9Very low43Very low184 Ų184114.3 Ų114.381%0.80768%0.684SS**  trans-64.399.5-168.7-77.6-84.2000110.2A603 L607A603-F605 PolarHBondContact O-N 3.14Å; A603-F605 VanDerWaalsContact O-N 3.14Å; F605-L607 PolarHBondContact O-N 2.75Å
606H35.3Very low44.7Very low162 Ų162116 Ų11675%0.7567%0.67SS**  trans-66.685.5162-162.3-67.8000106.1P604 S608P604-H606 PolarHBondContact O-N 3.12Å; H606-S608 PolarHBondContact O-N 2.65Å
607L42.5Very low46.6Very low116 Ų116114 Ų11461%0.60765%0.647SS**  trans-54.9100.3164.2-80.9108.3000105.7F605 T609F605-L607 PolarHBondContact O-N 2.75Å; L607-T609 WeakPolarHBondContact O-CA 3.48Å; L607-T609 PolarHBondContact O-N 3.4Å
608S34.5Very low48Very low101 Ų101113.4 Ų113.471%0.70663%0.632SS**  trans-60106.1176.9-66.40000105.3H606H606-S608 PolarHBondContact O-N 2.65Å
609T35.3Very low49.9Very low114 Ų114111 Ų11170%0.69962%0.615SS**  trans-44.4108.9-152.7-500000110.1L607 S611L607-T609 WeakPolarHBondContact O-CA 3.48Å; L607-T609 PolarHBondContact O-N 3.4Å; T609-S611 PolarHBondContact O-N 2.59Å
610P45.2Very low52.4Low56 Ų56103.3 Ų103.336%0.36457%0.574SS.*  trans-56.4121.3179.922.8-31.8000106.1S612P610-S612 PolarHBondContact O-N 2.84Å
611S38.6Very low54.7Low91 Ų9199.6 Ų99.664%0.63656%0.558SS**  trans-46.5118.3-163.8-179.90000109.1T609 R613T609-S611 PolarHBondContact O-N 2.59Å; S611-R613 PolarHBondContact O-N 2.82Å
612S44.4Very low57.5Low92 Ų92100.5 Ų100.564%0.64355%0.553SS**  trans-75.356.9-169.1-173.40000112.3P610 V614P610-S612 PolarHBondContact O-N 2.84Å; S612-V614 PolarHBondContact O-N 3.4Å; S612-V614 VanDerWaalsContact O-N 3.15Å
613R51.5Low60.3Low171 Ų17196.8 Ų96.865%0.64552%0.52SS*.  trans-51.9110.1145.4-63.9177.5172.1-169.9-4.6106S611 L615S611-R613 PolarHBondContact O-N 2.82Å; R613-L615 PolarHBondContact O-N 3.36Å
614V59.2Low63.1Low115 Ų11596.7 Ų96.770%0.69751%0.514SS*.  trans-54.5113.4165.1176.80000105.7S612 K616S612-V614 PolarHBondContact O-N 3.4Å; S612-V614 VanDerWaalsContact O-N 3.15Å; V614-K616 VanDerWaalsContact C-N 3.32Å; V614-K616 PolarHBondContact O-N 3.22Å
615L69.8Low65.7Low30 Ų3092.1 Ų92.116%0.15748%0.484CS..  trans-66.192.7-170.8-68.9-179000109.8R613 Q617 W623 E627 Q630 W631R613-L615 PolarHBondContact O-N 3.36Å; L615-Q617 PolarHBondContact O-N 3.49Å; L615-Q617 VanDerWaalsContact O-N 3.14Å; L615-W623 HydrophobicContact CB-CZ2 4.12Å; L615-E627 HydrophobicContact CD1-CB 4.46Å; L615-E627 VanDerWaalsContact CD1-O 3.26Å; L615-E627 WeakPolarHBondContact CD1-O 3.37Å; L615-E627 HydrophobicContact CD2-CB 3.88Å; L615-E627 HydrophobicContact CD2-CG 3.92Å; L615-Q630 HydrophobicContact CD1-CB 4.13Å; L615-Q630 HydrophobicContact CD1-CG 4.09Å; L615-W631 HydrophobicContact CD1-CB 3.96Å
616K76.2Confident68.2Low110 Ų11088.7 Ų88.748%0.47847%0.471SS..  trans-60.1117.5176.5-80.6178.7157.3-122.20108.5V614 E618 D619 W623V614-K616 VanDerWaalsContact C-N 3.32Å; V614-K616 PolarHBondContact O-N 3.22Å; K616-E618 HydrophobicContact CB-CB 4.41Å; K616-E618 HydrophobicContact CB-CG 4.29Å; K616-E618 IonicContact NZ-OE2 2.68Å; K616-E618 PolarHBondContact NZ-OE2 3Å; K616-E618 PolarHBondContact O-N 3.14Å; K616-D619 HydrophobicContact CB-CB 4.15Å; K616-D619 WeakPolarHBondContact CB-OD2 3.34Å; K616-D619 WeakPolarHBondContact CD-OD2 3.49Å; K616-D619 PolarHBondContact O-N 3.06Å; K616-W623 PolarHBondContact O-NE1 3.31Å
617Q80.6Confident71.1Confident84 Ų8482.4 Ų82.439%0.39344%0.442SS..THydrogen-bonded Turntrans-67.6-0.6171.9-61.2-176.62.900112.5L615 V620 L685 V689L615-Q617 PolarHBondContact O-N 3.49Å; L615-Q617 VanDerWaalsContact O-N 3.14Å; Q617-V620 WeakPolarHBondContact O-CG2 3.43Å; Q617-L685 HydrophobicContact CB-CD1 3.73Å; Q617-L685 HydrophobicContact CG-CD1 3.67Å; Q617-V689 WeakPolarHBondContact O-CG2 3.46Å
618E74.5Confident73.7Confident97 Ų9776.9 Ų76.945%0.45341%0.413SS..THydrogen-bonded Turntrans-83.3-38.7170.4-33.9-171.6109.100110.9K616 V620 N692K616-E618 HydrophobicContact CB-CB 4.41Å; K616-E618 HydrophobicContact CB-CG 4.29Å; K616-E618 IonicContact NZ-OE2 2.68Å; K616-E618 PolarHBondContact NZ-OE2 3Å; K616-E618 PolarHBondContact O-N 3.14Å; E618-V620 PolarHBondContact O-N 2.79Å; E618-N692 WeakPolarHBondContact CB-ND2 3.3Å; E618-N692 VanDerWaalsContact CG-ND2 3.3Å; E618-N692 WeakPolarHBondContact CG-ND2 3.39Å; E618-N692 PolarHBondContact OE1-ND2 3.06Å
619D86.9Confident76.6Confident71 Ų7172.5 Ų72.538%0.3838%0.382SS..  trans-94.218-170.2-67.2-43.8000113.2K616 K621 L622K616-D619 HydrophobicContact CB-CB 4.15Å; K616-D619 WeakPolarHBondContact CB-OD2 3.34Å; K616-D619 WeakPolarHBondContact CD-OD2 3.49Å; K616-D619 PolarHBondContact O-N 3.06Å; D619-K621 PolarHBondContact O-N 2.87Å; D619-L622 WeakPolarHBondContact O-CB 3.33Å; D619-L622 PolarHBondContact O-N 3.02Å
620V90.6Very high79.5Confident0 Ų069.2 Ų69.20%036%0.359CS..G310 helixtrans-56.1-26.9-175.5-174.20000113Q617 E618 L622 W623 G653 I657 L685 V689Q617-V620 WeakPolarHBondContact O-CG2 3.43Å; E618-V620 PolarHBondContact O-N 2.79Å; V620-L622 PolarHBondContact O-N 3.44Å; V620-L622 VanDerWaalsContact O-N 3.11Å; V620-W623 HydrophobicContact CB-CD2 4.33Å; V620-W623 HydrophobicContact CG1-CD2 4.13Å; V620-W623 HydrophobicContact CG1-CE3 4.01Å; V620-W623 HydrophobicContact CG1-CZ3 4.24Å; V620-W623 HydrophobicContact CG2-CD2 4.31Å; V620-W623 HydrophobicContact CG2-CH2 3.88Å; V620-W623 HydrophobicContact CG2-CZ2 3.65Å; V620-W623 HydrophobicContact CG2-CZ3 4.33Å; V620-W623 PolarHBondContact O-N 3.32Å; V620-G653 CarbonylContact O-C 3.56Å; V620-G653 WeakPolarHBondContact O-CA 3.18Å; V620-I657 HydrophobicContact CG1-CG2 3.46Å; V620-I657 VanDerWaalsContact CG1-CG2 3.46Å; V620-L685 HydrophobicContact CG1-CD2 4.06Å; V620-L685 HydrophobicContact CG2-CD1 3.71Å; V620-L685 HydrophobicContact CG2-CD2 4.21Å; V620-L685 HydrophobicContact CG2-CG 3.96Å; V620-V689 HydrophobicContact CB-CG2 3.82Å; V620-V689 HydrophobicContact CG2-CG2 3.54Å
621K89.9Confident81.9Confident115 Ų11567.4 Ų67.450%0.534%0.344SS..G310 helixtrans-63.8-11.4174.3-62179.8-176.9175.80113.7D619D619-K621 PolarHBondContact O-N 2.87Å
622L92.8Very high84.6Confident132 Ų13263.3 Ų63.369%0.69132%0.315SS*.G310 helixtrans-113-6.8-178.6-57.8177.2000113.7D619 V620 T624D619-L622 WeakPolarHBondContact O-CB 3.33Å; D619-L622 PolarHBondContact O-N 3.02Å; V620-L622 PolarHBondContact O-N 3.44Å; V620-L622 VanDerWaalsContact O-N 3.11Å; L622-T624 PolarHBondContact O-N 3.35Å
623W95.7Very high87Confident8 Ų863.1 Ų63.13%0.0330%0.304CS..  trans-66.5130.4-173.3-67.70.6000112.1L615 K616 V620 E627 V628 W631 G653 L685L615-W623 HydrophobicContact CB-CZ2 4.12Å; K616-W623 PolarHBondContact O-NE1 3.31Å; V620-W623 HydrophobicContact CB-CD2 4.33Å; V620-W623 HydrophobicContact CG1-CD2 4.13Å; V620-W623 HydrophobicContact CG1-CE3 4.01Å; V620-W623 HydrophobicContact CG1-CZ3 4.24Å; V620-W623 HydrophobicContact CG2-CD2 4.31Å; V620-W623 HydrophobicContact CG2-CH2 3.88Å; V620-W623 HydrophobicContact CG2-CZ2 3.65Å; V620-W623 HydrophobicContact CG2-CZ3 4.33Å; V620-W623 PolarHBondContact O-N 3.32Å; W623-E627 VanDerWaalsContact CA-OE2 3.32Å; W623-E627 WeakPolarHBondContact CA-OE2 3.49Å; W623-E627 HydrophobicContact CB-CB 4.03Å; W623-E627 HydrophobicContact CG-CB 4.31Å; W623-V628 HydrophobicContact CB-CG2 4.23Å; W623-V628 HydrophobicContact CE3-CG2 4.17Å; W623-W631 HydrophobicContact CE3-CB 4.39Å; W623-W631 HydrophobicContact CH2-CB 4.04Å; W623-W631 AromaticContact CH2-CD1 3.22Å; W623-W631 HydrophobicContact CH2-CD2 4.13Å; W623-W631 AromaticContact CH2-CG 3.53Å; W623-W631 HydrophobicContact CH2-CG 3.53Å; W623-W631 AromaticContact CH2-NE1 3.61Å; W623-W631 HydrophobicContact CZ3-CB 3.7Å; W623-W631 AromaticContact CZ3-CD1 3.72Å; W623-W631 AromaticContact CZ3-CD2 3.96Å; W623-W631 HydrophobicContact CZ3-CD2 3.96Å; W623-W631 AromaticContact CZ3-CG 3.49Å; W623-W631 HydrophobicContact CZ3-CG 3.49Å; W623-W631 VanDerWaalsContact CZ3-CG 3.49Å; W623-G653 PolarHBondContact O-N 2.89Å; W623-L685 HydrophobicContact CH2-CD1 3.72Å; W623-L685 HydrophobicContact CH2-CD2 3.88Å; W623-L685 HydrophobicContact CH2-CG 4.44Å; W623-L685 HydrophobicContact CZ2-CD1 4.42Å; W623-L685 HydrophobicContact CZ3-CD1 4.41Å; W623-L685 HydrophobicContact CZ3-CD2 3.7Å
624T96Very high89Confident56 Ų5660.2 Ų60.234%0.34431%0.305SS..  trans-73.8166.5169.880.90000111.5L622 E626 E627 V628L622-T624 PolarHBondContact O-N 3.35Å; T624-E626 WeakPolarHBondContact CB-OE2 3.08Å; T624-E626 PolarHBondContact O-N 3.26Å; T624-E626 PolarHBondContact OG1-N 3.01Å; T624-E626 PolarHBondContact OG1-OE2 3.07Å; T624-E627 PolarHBondContact N-OE2 3.32Å; T624-E627 PolarHBondContact O-N 2.83Å; T624-E627 PolarHBondContact OG1-N 2.97Å; T624-V628 PolarHBondContact O-N 2.97Å
625P96.8Very high90.7Very high29 Ų2957.6 Ų57.619%0.18829%0.289CS..Hα-helixtrans-57.1-32.1173.6-25.936.3000113.7V629 L647 I651 D652P625-V629 WeakPolarHBondContact O-CG2 3.3Å; P625-V629 PolarHBondContact O-N 3.15Å; P625-L647 HydrophobicContact CB-CD2 3.77Å; P625-I651 WeakPolarHBondContact CA-O 3.29Å; P625-D652 HydrophobicContact CG-CB 4.38Å
626E96.3Very high91.8Very high112 Ų11257.8 Ų57.852%0.52329%0.291SS..Hα-helixtrans-67.2-41.8173.6-57.575.3-164.500111.8T624 V629 Q630 L647T624-E626 WeakPolarHBondContact CB-OE2 3.08Å; T624-E626 PolarHBondContact O-N 3.26Å; T624-E626 PolarHBondContact OG1-N 3.01Å; T624-E626 PolarHBondContact OG1-OE2 3.07Å; E626-V629 PolarHBondContact O-N 3.44Å; E626-Q630 WeakPolarHBondContact O-CB 3.46Å; E626-Q630 PolarHBondContact O-N 3.09Å; E626-L647 HydrophobicContact CG-CD2 4.38Å
627E96.1Very high92.7Very high30 Ų3056.5 Ų56.514%0.1429%0.294CS..Hα-helixtrans-68.5-36.3176.4-67.3177.1136.200111.5L615 W623 T624 Q630 W631L615-E627 HydrophobicContact CD1-CB 4.46Å; L615-E627 VanDerWaalsContact CD1-O 3.26Å; L615-E627 WeakPolarHBondContact CD1-O 3.37Å; L615-E627 HydrophobicContact CD2-CB 3.88Å; L615-E627 HydrophobicContact CD2-CG 3.92Å; W623-E627 VanDerWaalsContact CA-OE2 3.32Å; W623-E627 WeakPolarHBondContact CA-OE2 3.49Å; W623-E627 HydrophobicContact CB-CB 4.03Å; W623-E627 HydrophobicContact CG-CB 4.31Å; T624-E627 PolarHBondContact N-OE2 3.32Å; T624-E627 PolarHBondContact O-N 2.83Å; T624-E627 PolarHBondContact OG1-N 2.97Å; E627-Q630 PolarHBondContact O-N 3.09Å; E627-W631 WeakPolarHBondContact O-CB 3.42Å; E627-W631 PolarHBondContact O-N 3.46Å
628V96.8Very high93.4Very high0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-60.5-45170.7168.20000111.6W623 T624 W631 L632 F646 I651 F656W623-V628 HydrophobicContact CB-CG2 4.23Å; W623-V628 HydrophobicContact CE3-CG2 4.17Å; T624-V628 PolarHBondContact O-N 2.97Å; V628-W631 PolarHBondContact O-N 3.05Å; V628-L632 HydrophobicContact CG1-CD1 4.41Å; V628-L632 WeakPolarHBondContact O-CG 3.19Å; V628-L632 PolarHBondContact O-N 3.2Å; V628-F646 HydrophobicContact CG1-CD1 4.34Å; V628-I651 HydrophobicContact CG1-CG2 4.5Å; V628-F656 HydrophobicContact CG1-CB 4.14Å; V628-F656 HydrophobicContact CG1-CD1 4.27Å; V628-F656 HydrophobicContact CG1-CD2 3.45Å; V628-F656 VanDerWaalsContact CG1-CD2 3.45Å; V628-F656 HydrophobicContact CG1-CE2 3.83Å; V628-F656 HydrophobicContact CG1-CG 3.7Å; V628-F656 HydrophobicContact CG1-CZ 4.37Å; V628-F656 HydrophobicContact CG2-CB 4.07Å; V628-F656 HydrophobicContact CG2-CG 4.31Å
629V96.3Very high94.4Very high9 Ų950.9 Ų50.96%0.05527%0.271CS..Hα-helixtrans-71.1-36.4179.81700000111.8P625 E626 W631 L632 H633 H643 F646 L647P625-V629 WeakPolarHBondContact O-CG2 3.3Å; P625-V629 PolarHBondContact O-N 3.15Å; E626-V629 PolarHBondContact O-N 3.44Å; V629-W631 VanDerWaalsContact C-N 3.34Å; V629-L632 PolarHBondContact O-N 3.32Å; V629-H633 PolarHBondContact O-N 3.01Å; V629-H643 HydrophobicContact CG1-CB 3.92Å; V629-H643 WeakPolarHBondContact CG1-CD2 3.41Å; V629-H643 VanDerWaalsContact CG1-CG 3.46Å; V629-F646 HydrophobicContact CG2-CB 3.54Å; V629-F646 HydrophobicContact CG2-CG 4.46Å; V629-L647 HydrophobicContact CG2-CD2 4.06Å; V629-L647 HydrophobicContact CG2-CG 4.2Å
630Q94.9Very high94.8Very high46 Ų4650.7 Ų50.722%0.21527%0.27CS..Hα-helixtrans-62.3-40.2170.4-176.5175.67.100111.6L615 E626 E627 H633 V634L615-Q630 HydrophobicContact CD1-CB 4.13Å; L615-Q630 HydrophobicContact CD1-CG 4.09Å; E626-Q630 WeakPolarHBondContact O-CB 3.46Å; E626-Q630 PolarHBondContact O-N 3.09Å; E627-Q630 PolarHBondContact O-N 3.09Å; Q630-H633 PolarHBondContact O-N 3.13Å; Q630-V634 WeakPolarHBondContact O-CG2 3.26Å; Q630-V634 PolarHBondContact O-N 3.31Å; Q630-V634 VanDerWaalsContact O-N 3.08Å
631W95.6Very high95Very high17 Ų1756.9 Ų56.96%0.06430%0.301CS..Hα-helixtrans-64.9-41.4174.2-176.987.3000112.4L615 W623 E627 V628 V629 V634 T635 F656 A681 L685L615-W631 HydrophobicContact CD1-CB 3.96Å; W623-W631 HydrophobicContact CE3-CB 4.39Å; W623-W631 HydrophobicContact CH2-CB 4.04Å; W623-W631 AromaticContact CH2-CD1 3.22Å; W623-W631 HydrophobicContact CH2-CD2 4.13Å; W623-W631 AromaticContact CH2-CG 3.53Å; W623-W631 HydrophobicContact CH2-CG 3.53Å; W623-W631 AromaticContact CH2-NE1 3.61Å; W623-W631 HydrophobicContact CZ3-CB 3.7Å; W623-W631 AromaticContact CZ3-CD1 3.72Å; W623-W631 AromaticContact CZ3-CD2 3.96Å; W623-W631 HydrophobicContact CZ3-CD2 3.96Å; W623-W631 AromaticContact CZ3-CG 3.49Å; W623-W631 HydrophobicContact CZ3-CG 3.49Å; W623-W631 VanDerWaalsContact CZ3-CG 3.49Å; E627-W631 WeakPolarHBondContact O-CB 3.42Å; E627-W631 PolarHBondContact O-N 3.46Å; V628-W631 PolarHBondContact O-N 3.05Å; V629-W631 VanDerWaalsContact C-N 3.34Å; W631-V634 PolarHBondContact O-N 3.33Å; W631-T635 HydrophobicContact CH2-CG2 4.18Å; W631-T635 HydrophobicContact CZ2-CG2 4.44Å; W631-T635 HydrophobicContact CZ3-CG2 4.34Å; W631-T635 WeakPolarHBondContact O-CB 3.28Å; W631-T635 PolarHBondContact O-N 3.12Å; W631-T635 PolarHBondContact O-OG1 3.08Å; W631-F656 AromaticContact CE3-CE1 3.62Å; W631-F656 HydrophobicContact CE3-CE1 3.62Å; W631-F656 AromaticContact CE3-CZ 3.76Å; W631-F656 HydrophobicContact CE3-CZ 3.76Å; W631-F656 HydrophobicContact CH2-CE1 4.21Å; W631-F656 AromaticContact CZ3-CE1 3.47Å; W631-F656 HydrophobicContact CZ3-CE1 3.47Å; W631-F656 VanDerWaalsContact CZ3-CE1 3.47Å; W631-F656 AromaticContact CZ3-CZ 3.53Å; W631-F656 HydrophobicContact CZ3-CZ 3.53Å; W631-A681 HydrophobicContact CH2-CB 3.7Å; W631-A681 HydrophobicContact CZ3-CB 4.29Å; W631-L685 HydrophobicContact CH2-CB 4.35Å; W631-L685 HydrophobicContact CH2-CD2 4.22Å; W631-L685 HydrophobicContact CZ2-CB 4.04Å; W631-L685 HydrophobicContact CZ2-CD1 4.1Å; W631-L685 HydrophobicContact CZ2-CD2 3.96Å; W631-L685 HydrophobicContact CZ2-CG 4.27Å
632L95.9Very high95.3Very high5 Ų552.4 Ų52.43%0.02628%0.281CS..Hα-helixtrans-59.2-48.3175.1-77.3168.4000111.6V628 V629 V634 T635 D636 F639 F646 F656 M678V628-L632 HydrophobicContact CG1-CD1 4.41Å; V628-L632 WeakPolarHBondContact O-CG 3.19Å; V628-L632 PolarHBondContact O-N 3.2Å; V629-L632 PolarHBondContact O-N 3.32Å; L632-V634 PolarHBondContact O-N 3.01Å; L632-T635 PolarHBondContact O-N 2.85Å; L632-D636 PolarHBondContact O-N 3.38Å; L632-F639 HydrophobicContact CB-CB 4.28Å; L632-F639 HydrophobicContact CB-CD2 4.21Å; L632-F639 HydrophobicContact CD2-CD2 3.58Å; L632-F639 HydrophobicContact CD2-CE2 4.04Å; L632-F639 HydrophobicContact CD2-CG 4.37Å; L632-F646 HydrophobicContact CD1-CD1 3.91Å; L632-F646 HydrophobicContact CD1-CD2 3.67Å; L632-F646 HydrophobicContact CD1-CE1 3.91Å; L632-F646 HydrophobicContact CD1-CE2 3.66Å; L632-F646 HydrophobicContact CD1-CG 3.81Å; L632-F646 HydrophobicContact CD1-CZ 3.79Å; L632-F656 HydrophobicContact CD1-CE2 4.12Å; L632-F656 HydrophobicContact CD1-CZ 4.5Å; L632-F656 HydrophobicContact CD2-CE2 4.05Å; L632-F656 HydrophobicContact CD2-CZ 3.77Å; L632-F656 HydrophobicContact CG-CE2 4.19Å; L632-F656 HydrophobicContact CG-CZ 4.07Å; L632-M678 HydrophobicContact CD2-CE 4.31Å; L632-M678 HydrophobicContact CD2-CG 4.36Å
633H94.6Very high95.4Very high89 Ų8949.7 Ų49.741%0.41226%0.264SS..Hα-helixtrans-56.5-49.2176.6174.271.9000112.3V629 Q630 T635 D636 P637 D640V629-H633 PolarHBondContact O-N 3.01Å; Q630-H633 PolarHBondContact O-N 3.13Å; H633-T635 VanDerWaalsContact C-N 3.3Å; H633-T635 PolarHBondContact O-N 3.38Å; H633-D636 CarbonylContact O-C 3.59Å; H633-P637 WeakPolarHBondContact O-CD 3.37Å; H633-P637 WeakPolarHBondContact O-CG 3.2Å; H633-D640 WeakPolarHBondContact CB-OD1 3.36Å; H633-D640 IonicContact CE1-OD1 2.71Å; H633-D640 IonicContact CE1-OD2 2.65Å; H633-D640 PolarHBondContact CE1-OD2 3.41Å; H633-D640 IonicContact CG-OD1 3.38Å; H633-D640 IonicContact ND1-OD1 2.76Å; H633-D640 PolarHBondContact ND1-OD1 3.21Å; H633-D640 IonicContact ND1-OD2 3.74Å; H633-D640 PolarHBondContact ND1-OD2 3.39Å
634V94Very high95.4Very high109 Ų10954.5 Ų54.566%0.66129%0.287SS*.Hα-helixtrans-67.9-29.4179.6172.60000112.3Q630 W631 L632Q630-V634 WeakPolarHBondContact O-CG2 3.26Å; Q630-V634 PolarHBondContact O-N 3.31Å; Q630-V634 VanDerWaalsContact O-N 3.08Å; W631-V634 PolarHBondContact O-N 3.33Å; L632-V634 PolarHBondContact O-N 3.01Å
635T93.6Very high95.5Very high60 Ų6054 Ų5437%0.36828%0.282SS..Hα-helixtrans-77.9-44.3-178.4-63.20000112.5W631 L632 H633 F639 A681W631-T635 HydrophobicContact CH2-CG2 4.18Å; W631-T635 HydrophobicContact CZ2-CG2 4.44Å; W631-T635 HydrophobicContact CZ3-CG2 4.34Å; W631-T635 WeakPolarHBondContact O-CB 3.28Å; W631-T635 PolarHBondContact O-N 3.12Å; W631-T635 PolarHBondContact O-OG1 3.08Å; L632-T635 PolarHBondContact O-N 2.85Å; H633-T635 VanDerWaalsContact C-N 3.3Å; H633-T635 PolarHBondContact O-N 3.38Å; T635-F639 HydrophobicContact CG2-CE2 4.49Å; T635-A681 HydrophobicContact CG2-CB 3.82Å
636D94.7Very high95.5Very high34 Ų3452.7 Ų52.718%0.18227%0.274CS..  trans-157.4106.5173-173-30.9000109.3L632 H633 T638 F639 K677L632-D636 PolarHBondContact O-N 3.38Å; H633-D636 CarbonylContact O-C 3.59Å; D636-T638 PolarHBondContact O-N 3.12Å; D636-T638 VanDerWaalsContact OD1-CB 3.3Å; D636-T638 WeakPolarHBondContact OD1-CB 3.48Å; D636-T638 WeakPolarHBondContact OD1-CG2 3.46Å; D636-T638 PolarHBondContact OD1-N 3.3Å; D636-T638 PolarHBondContact OD1-OG1 3.36Å; D636-T638 PolarHBondContact OD2-OG1 3.48Å; D636-F639 HydrophobicContact CB-CD1 4.35Å; D636-F639 HydrophobicContact CB-CD2 3.86Å; D636-F639 HydrophobicContact CB-CE1 4.2Å; D636-F639 HydrophobicContact CB-CE2 3.7Å; D636-F639 HydrophobicContact CB-CG 4.2Å; D636-F639 HydrophobicContact CB-CZ 3.88Å; D636-F639 VanDerWaalsContact O-CB 3.29Å; D636-F639 WeakPolarHBondContact O-CB 3.46Å; D636-F639 WeakPolarHBondContact O-CG 3.41Å; D636-F639 PolarHBondContact O-N 3.19Å; D636-K677 IonicContact OD1-NZ 3.93Å; D636-K677 WeakPolarHBondContact OD2-CD 3.49Å; D636-K677 WeakPolarHBondContact OD2-CE 3.32Å; D636-K677 IonicContact OD2-NZ 2.93Å; D636-K677 PolarHBondContact OD2-NZ 3.02Å
637P95.2Very high95.5Very high83 Ų8349.3 Ų49.354%0.53926%0.259SS..G310 helixtrans-59.1-10.1-179.9-27.434.8000115.3H633 F639 D640H633-P637 WeakPolarHBondContact O-CD 3.37Å; H633-P637 WeakPolarHBondContact O-CG 3.2Å; P637-F639 PolarHBondContact O-N 3.46Å; P637-D640 PolarHBondContact O-N 3.37Å
638T95Very high95.5Very high58 Ų5853.2 Ų53.236%0.35628%0.281SS..G310 helixtrans-69.1-12.1168.664.90000113.2D636 K677D636-T638 PolarHBondContact O-N 3.12Å; D636-T638 VanDerWaalsContact OD1-CB 3.3Å; D636-T638 WeakPolarHBondContact OD1-CB 3.48Å; D636-T638 WeakPolarHBondContact OD1-CG2 3.46Å; D636-T638 PolarHBondContact OD1-N 3.3Å; D636-T638 PolarHBondContact OD1-OG1 3.36Å; D636-T638 PolarHBondContact OD2-OG1 3.48Å; T638-K677 PolarHBondContact OG1-NZ 3.15Å; T638-K677 VanDerWaalsContact OG1-NZ 3.12Å
639F95.7Very high95.5Very high5 Ų557 Ų572%0.02230%0.301CS..G310 helixtrans-80-13.5175.5-60.7-19.8000114.3L632 T635 D636 P637 M641 Y642 K677 M678L632-F639 HydrophobicContact CB-CB 4.28Å; L632-F639 HydrophobicContact CB-CD2 4.21Å; L632-F639 HydrophobicContact CD2-CD2 3.58Å; L632-F639 HydrophobicContact CD2-CE2 4.04Å; L632-F639 HydrophobicContact CD2-CG 4.37Å; T635-F639 HydrophobicContact CG2-CE2 4.49Å; D636-F639 HydrophobicContact CB-CD1 4.35Å; D636-F639 HydrophobicContact CB-CD2 3.86Å; D636-F639 HydrophobicContact CB-CE1 4.2Å; D636-F639 HydrophobicContact CB-CE2 3.7Å; D636-F639 HydrophobicContact CB-CG 4.2Å; D636-F639 HydrophobicContact CB-CZ 3.88Å; D636-F639 VanDerWaalsContact O-CB 3.29Å; D636-F639 WeakPolarHBondContact O-CB 3.46Å; D636-F639 WeakPolarHBondContact O-CG 3.41Å; D636-F639 PolarHBondContact O-N 3.19Å; P637-F639 PolarHBondContact O-N 3.46Å; F639-M641 PolarHBondContact O-N 2.91Å; F639-Y642 WeakPolarHBondContact O-CA 3.19Å; F639-Y642 WeakPolarHBondContact O-CB 3.42Å; F639-Y642 PolarHBondContact O-N 2.96Å; F639-K677 HydrophobicContact CE1-CB 3.85Å; F639-K677 HydrophobicContact CE1-CD 4.01Å; F639-K677 HydrophobicContact CZ-CB 3.72Å; F639-K677 HydrophobicContact CZ-CD 4.42Å; F639-M678 HydrophobicContact CB-CE 3.83Å; F639-M678 HydrophobicContact CD1-CE 3.58Å; F639-M678 HydrophobicContact CD1-CG 4.07Å; F639-M678 HydrophobicContact CD2-CE 4.16Å; F639-M678 HydrophobicContact CD2-CG 4.19Å; F639-M678 HydrophobicContact CE1-CE 4.12Å; F639-M678 HydrophobicContact CE1-CG 3.63Å; F639-M678 HydrophobicContact CE2-CG 3.76Å; F639-M678 HydrophobicContact CG-CE 3.59Å; F639-M678 HydrophobicContact CG-CG 4.33Å; F639-M678 HydrophobicContact CZ-CB 4.3Å; F639-M678 HydrophobicContact CZ-CG 3.46Å; F639-M678 VanDerWaalsContact CZ-CG 3.46Å
640D94Very high95.5Very high68 Ų6860.8 Ų60.836%0.36433%0.328SS..G310 helixtrans-55.6-29.9-177.2-69.63.5000113.5H633 P637 Y642 H643H633-D640 WeakPolarHBondContact CB-OD1 3.36Å; H633-D640 IonicContact CE1-OD1 2.71Å; H633-D640 IonicContact CE1-OD2 2.65Å; H633-D640 PolarHBondContact CE1-OD2 3.41Å; H633-D640 IonicContact CG-OD1 3.38Å; H633-D640 IonicContact ND1-OD1 2.76Å; H633-D640 PolarHBondContact ND1-OD1 3.21Å; H633-D640 IonicContact ND1-OD2 3.74Å; H633-D640 PolarHBondContact ND1-OD2 3.39Å; P637-D640 PolarHBondContact O-N 3.37Å; D640-Y642 PolarHBondContact O-N 3.22Å; D640-H643 WeakPolarHBondContact O-CB 3.24Å; D640-H643 PolarHBondContact O-N 3.14Å
641M95.4Very high95.6Very high129 Ų12959.5 Ų59.564%0.63532%0.322SS*.G310 helixtrans-62.6-12.6174.770.1178.470.900114F639F639-M641 PolarHBondContact O-N 2.91Å
642Y96.3Very high95.6Very high22 Ų2261.8 Ų61.89%0.08634%0.336CS..G310 helixtrans-106.40.4176.3-53.2-65.6000113.1F639 D640 Q644 L645 F646 I670 H674 M678F639-Y642 WeakPolarHBondContact O-CA 3.19Å; F639-Y642 WeakPolarHBondContact O-CB 3.42Å; F639-Y642 PolarHBondContact O-N 2.96Å; D640-Y642 PolarHBondContact O-N 3.22Å; Y642-Q644 PolarHBondContact O-N 2.61Å; Y642-L645 HydrophobicContact CD1-CD2 3.86Å; Y642-L645 VanDerWaalsContact O-CB 3.32Å; Y642-L645 WeakPolarHBondContact O-CB 3.36Å; Y642-L645 PolarHBondContact O-N 3.32Å; Y642-F646 WeakPolarHBondContact O-CD2 3.37Å; Y642-F646 PolarHBondContact O-N 3.3Å; Y642-I670 HydrophobicContact CD1-CD1 4.42Å; Y642-I670 HydrophobicContact CD1-CG1 3.84Å; Y642-I670 HydrophobicContact CE1-CB 4.32Å; Y642-I670 HydrophobicContact CE1-CG1 3.9Å; Y642-I670 HydrophobicContact CE1-CG2 4.17Å; Y642-I670 HydrophobicContact CE2-CG2 4.09Å; Y642-I670 HydrophobicContact CG-CD1 4.47Å; Y642-I670 HydrophobicContact CG-CG1 4.33Å; Y642-H674 HydrophobicContact CE2-CB 3.83Å; Y642-H674 AromaticContact CE2-CG 3.82Å; Y642-H674 AromaticContact CE2-ND1 3.47Å; Y642-H674 WeakPolarHBondContact CE2-ND1 3.43Å; Y642-H674 AromaticContact CZ-ND1 3.61Å; Y642-H674 PolarHBondContact OH-ND1 3.05Å; Y642-M678 HydrophobicContact CD2-CE 3.53Å; Y642-M678 HydrophobicContact CE2-CE 4.23Å; Y642-M678 HydrophobicContact CG-CE 4.15Å
643H95Very high95.6Very high74 Ų7461.5 Ų61.534%0.34334%0.335SS..Hα-helixtrans-44.7-56.3179.3173.9-58.5000112.5V629 D640 L645 F646 L647V629-H643 HydrophobicContact CG1-CB 3.92Å; V629-H643 WeakPolarHBondContact CG1-CD2 3.41Å; V629-H643 VanDerWaalsContact CG1-CG 3.46Å; D640-H643 WeakPolarHBondContact O-CB 3.24Å; D640-H643 PolarHBondContact O-N 3.14Å; H643-L645 VanDerWaalsContact C-N 3.3Å; H643-L645 PolarHBondContact O-N 2.9Å; H643-F646 PolarHBondContact O-N 2.87Å; H643-L647 VanDerWaalsContact CE1-CD1 3.48Å; H643-L647 WeakPolarHBondContact CE1-CD1 3.43Å; H643-L647 PolarHBondContact O-N 3.08Å
644Q95.9Very high95.6Very high110 Ų11059.5 Ų59.551%0.51433%0.329SS..Hα-helixtrans-65.5-33.7-178.3-166.960.643.400112.5Y642 F646 L647 D648Y642-Q644 PolarHBondContact O-N 2.61Å; Q644-F646 PolarHBondContact O-N 2.84Å; Q644-L647 PolarHBondContact O-N 3.35Å; Q644-D648 PolarHBondContact NE2-OD1 3.18Å; Q644-D648 WeakPolarHBondContact O-CB 3.27Å; Q644-D648 PolarHBondContact O-N 3.42Å
645L96.8Very high95.7Very high45 Ų4556 Ų5624%0.23631%0.312CS..Hα-helixtrans-66.1-37.1-178.5177.268.7000112.5Y642 H643 N649 M668 I670Y642-L645 HydrophobicContact CD1-CD2 3.86Å; Y642-L645 VanDerWaalsContact O-CB 3.32Å; Y642-L645 WeakPolarHBondContact O-CB 3.36Å; Y642-L645 PolarHBondContact O-N 3.32Å; H643-L645 VanDerWaalsContact C-N 3.3Å; H643-L645 PolarHBondContact O-N 2.9Å; L645-N649 PolarHBondContact O-N 3.25Å; L645-N649 PolarHBondContact O-ND2 3.35Å; L645-M668 HydrophobicContact CD1-CG 4.44Å; L645-M668 HydrophobicContact CD2-CB 4.04Å; L645-M668 HydrophobicContact CD2-CG 4.43Å; L645-M668 VanDerWaalsContact CD2-O 3.32Å; L645-M668 WeakPolarHBondContact CD2-O 3.26Å; L645-M668 HydrophobicContact CG-CB 4.41Å; L645-M668 HydrophobicContact CG-CG 4.3Å; L645-I670 HydrophobicContact CD2-CD1 4.06Å; L645-I670 HydrophobicContact CD2-CG1 3.81Å
646F97.3Very high95.8Very high1 Ų153.1 Ų53.10%0.00429%0.294CS..Hα-helixtrans-71.6-35.9175.1-81.8-93.4000112.2V628 V629 L632 Y642 H643 Q644 S650 I651 F656 L659 L664 M668 I670 M678V628-F646 HydrophobicContact CG1-CD1 4.34Å; V629-F646 HydrophobicContact CG2-CB 3.54Å; V629-F646 HydrophobicContact CG2-CG 4.46Å; L632-F646 HydrophobicContact CD1-CD1 3.91Å; L632-F646 HydrophobicContact CD1-CD2 3.67Å; L632-F646 HydrophobicContact CD1-CE1 3.91Å; L632-F646 HydrophobicContact CD1-CE2 3.66Å; L632-F646 HydrophobicContact CD1-CG 3.81Å; L632-F646 HydrophobicContact CD1-CZ 3.79Å; Y642-F646 WeakPolarHBondContact O-CD2 3.37Å; Y642-F646 PolarHBondContact O-N 3.3Å; H643-F646 PolarHBondContact O-N 2.87Å; Q644-F646 PolarHBondContact O-N 2.84Å; F646-S650 PolarHBondContact O-N 3.25Å; F646-I651 HydrophobicContact CD1-CB 3.9Å; F646-I651 HydrophobicContact CD1-CG1 4.03Å; F646-I651 HydrophobicContact CD1-CG2 3.92Å; F646-I651 HydrophobicContact CE1-CG2 4.35Å; F646-I651 PolarHBondContact O-N 2.97Å; F646-F656 HydrophobicContact CD1-CD2 4.29Å; F646-F656 HydrophobicContact CD1-CE2 4.32Å; F646-F656 AromaticContact CE1-CD2 3.84Å; F646-F656 HydrophobicContact CE1-CD2 3.84Å; F646-F656 AromaticContact CE1-CE2 3.65Å; F646-F656 HydrophobicContact CE1-CE2 3.65Å; F646-F656 HydrophobicContact CZ-CE2 4.29Å; F646-L659 HydrophobicContact CE1-CD1 3.87Å; F646-L664 HydrophobicContact CZ-CD2 4.07Å; F646-M668 HydrophobicContact CE1-SD 4.29Å; F646-M668 HydrophobicContact CZ-SD 4.29Å; F646-I670 HydrophobicContact CE2-CD1 3.96Å; F646-I670 HydrophobicContact CZ-CD1 4.18Å; F646-M678 HydrophobicContact CE2-CE 3.92Å; F646-M678 HydrophobicContact CE2-SD 4.23Å; F646-M678 HydrophobicContact CZ-CE 4.3Å; F646-M678 HydrophobicContact CZ-SD 4.06Å
647L97.1Very high95.9Very high41 Ų4153.1 Ų53.122%0.21529%0.294CS..Hα-helixtrans-70.4-43.5173.9-61.2-179.2000112.4P625 E626 V629 H643 Q644 N649 S650P625-L647 HydrophobicContact CB-CD2 3.77Å; E626-L647 HydrophobicContact CG-CD2 4.38Å; V629-L647 HydrophobicContact CG2-CD2 4.06Å; V629-L647 HydrophobicContact CG2-CG 4.2Å; H643-L647 VanDerWaalsContact CE1-CD1 3.48Å; H643-L647 WeakPolarHBondContact CE1-CD1 3.43Å; H643-L647 PolarHBondContact O-N 3.08Å; Q644-L647 PolarHBondContact O-N 3.35Å; L647-N649 PolarHBondContact O-N 3.45Å; L647-S650 PolarHBondContact O-N 3.38Å
648D96.4Very high95.9Very high113 Ų11355.3 Ų55.360%0.60430%0.3SS*.Hα-helixtrans-64-25.9178.8-72.5-9.3000112.5Q644Q644-D648 PolarHBondContact NE2-OD1 3.18Å; Q644-D648 WeakPolarHBondContact O-CB 3.27Å; Q644-D648 PolarHBondContact O-N 3.42Å
649N95.7Very high95.9Very high78 Ų7852.9 Ų52.942%0.41729%0.285SS..THydrogen-bonded Turntrans-943.4173.3-74.8-94.1000113.2L645 L647 I651L645-N649 PolarHBondContact O-N 3.25Å; L645-N649 PolarHBondContact O-ND2 3.35Å; L647-N649 PolarHBondContact O-N 3.45Å; N649-I651 VanDerWaalsContact C-N 3.29Å; N649-I651 HydrophobicContact CB-CD1 3.88Å; N649-I651 HydrophobicContact CB-CG1 3.78Å; N649-I651 PolarHBondContact O-N 3.05Å
650S96Very high96Very high89 Ų8959.1 Ų59.162%0.62231%0.308SS*.THydrogen-bonded Turntrans49.343.5-177.4-58.50000114F646 L647 D652F646-S650 PolarHBondContact O-N 3.25Å; L647-S650 PolarHBondContact O-N 3.38Å; S650-D652 PolarHBondContact O-N 2.92Å
651I96.8Very high96.1Very high19 Ų1959.8 Ų59.810%0.09731%0.309CS..  trans-76.793.8-176.5-55.3-61.4000110.1P625 V628 F646 N649 A655 F656 L659P625-I651 WeakPolarHBondContact CA-O 3.29Å; V628-I651 HydrophobicContact CG1-CG2 4.5Å; F646-I651 HydrophobicContact CD1-CB 3.9Å; F646-I651 HydrophobicContact CD1-CG1 4.03Å; F646-I651 HydrophobicContact CD1-CG2 3.92Å; F646-I651 HydrophobicContact CE1-CG2 4.35Å; F646-I651 PolarHBondContact O-N 2.97Å; N649-I651 VanDerWaalsContact C-N 3.29Å; N649-I651 HydrophobicContact CB-CD1 3.88Å; N649-I651 HydrophobicContact CB-CG1 3.78Å; N649-I651 PolarHBondContact O-N 3.05Å; I651-A655 HydrophobicContact CG2-CB 4.35Å; I651-F656 HydrophobicContact CG2-CB 3.9Å; I651-F656 HydrophobicContact CG2-CD2 3.99Å; I651-F656 HydrophobicContact CG2-CG 4.46Å; I651-L659 HydrophobicContact CG2-CD1 4.27Å
652D96.2Very high96.1Very high65 Ų6557.2 Ų57.235%0.34830%0.296SS..  trans-75172169.769.210.9000112.3P625 S650 P654 A655 F656P625-D652 HydrophobicContact CG-CB 4.38Å; S650-D652 PolarHBondContact O-N 2.92Å; D652-P654 WeakPolarHBondContact OD1-CD 3.45Å; D652-A655 PolarHBondContact O-N 2.99Å; D652-A655 WeakPolarHBondContact OD1-CB 3.48Å; D652-A655 PolarHBondContact OD1-N 3.43Å; D652-F656 VanDerWaalsContact O-CB 3.24Å; D652-F656 WeakPolarHBondContact O-CB 3.49Å; D652-F656 PolarHBondContact O-N 3.31Å
653G95.8Very high96.2Very high0 Ų057.6 Ų57.60%030%0.298CS..Hα-helixtrans-55.6-48.4179.800000114.5V620 W623 A655 F656 I657V620-G653 CarbonylContact O-C 3.56Å; V620-G653 WeakPolarHBondContact O-CA 3.18Å; W623-G653 PolarHBondContact O-N 2.89Å; G653-A655 PolarHBondContact O-N 2.9Å; G653-F656 WeakPolarHBondContact O-CB 3.33Å; G653-F656 PolarHBondContact O-N 2.9Å; G653-I657 PolarHBondContact O-N 3.06Å
654P94.3Very high96.3Very high47 Ų4754.1 Ų54.131%0.30528%0.282SS..Hα-helixtrans-54.3-44.5171.6-29.236.2000114.6D652 I657 L658D652-P654 WeakPolarHBondContact OD1-CD 3.45Å; P654-I657 WeakPolarHBondContact O-CG1 3.38Å; P654-L658 VanDerWaalsContact O-CG 3.31Å; P654-L658 WeakPolarHBondContact O-CG 3.32Å
655A96.2Very high96.4Very high35 Ų3551.2 Ų51.229%0.28927%0.27SS..Hα-helixtrans-69.2-38.3175.700000111.8I651 D652 G653 L658 L659I651-A655 HydrophobicContact CG2-CB 4.35Å; D652-A655 PolarHBondContact O-N 2.99Å; D652-A655 WeakPolarHBondContact OD1-CB 3.48Å; D652-A655 PolarHBondContact OD1-N 3.43Å; G653-A655 PolarHBondContact O-N 2.9Å; A655-L658 CarbonylContact O-C 3.52Å; A655-L658 WeakPolarHBondContact O-CA 3.32Å; A655-L658 PolarHBondContact O-N 3.11Å; A655-L659 PolarHBondContact O-N 3.01Å
656F96.8Very high96.3Very high0 Ų055 Ų550%029%0.29CS..Hα-helixtrans-60.7-47.7-179.9-170.6-112.4000111.9V628 W631 L632 F646 I651 D652 G653 L658 L659 I682 L685V628-F656 HydrophobicContact CG1-CB 4.14Å; V628-F656 HydrophobicContact CG1-CD1 4.27Å; V628-F656 HydrophobicContact CG1-CD2 3.45Å; V628-F656 VanDerWaalsContact CG1-CD2 3.45Å; V628-F656 HydrophobicContact CG1-CE2 3.83Å; V628-F656 HydrophobicContact CG1-CG 3.7Å; V628-F656 HydrophobicContact CG1-CZ 4.37Å; V628-F656 HydrophobicContact CG2-CB 4.07Å; V628-F656 HydrophobicContact CG2-CG 4.31Å; W631-F656 AromaticContact CE3-CE1 3.62Å; W631-F656 HydrophobicContact CE3-CE1 3.62Å; W631-F656 AromaticContact CE3-CZ 3.76Å; W631-F656 HydrophobicContact CE3-CZ 3.76Å; W631-F656 HydrophobicContact CH2-CE1 4.21Å; W631-F656 AromaticContact CZ3-CE1 3.47Å; W631-F656 HydrophobicContact CZ3-CE1 3.47Å; W631-F656 VanDerWaalsContact CZ3-CE1 3.47Å; W631-F656 AromaticContact CZ3-CZ 3.53Å; W631-F656 HydrophobicContact CZ3-CZ 3.53Å; L632-F656 HydrophobicContact CD1-CE2 4.12Å; L632-F656 HydrophobicContact CD1-CZ 4.5Å; L632-F656 HydrophobicContact CD2-CE2 4.05Å; L632-F656 HydrophobicContact CD2-CZ 3.77Å; L632-F656 HydrophobicContact CG-CE2 4.19Å; L632-F656 HydrophobicContact CG-CZ 4.07Å; F646-F656 HydrophobicContact CD1-CD2 4.29Å; F646-F656 HydrophobicContact CD1-CE2 4.32Å; F646-F656 AromaticContact CE1-CD2 3.84Å; F646-F656 HydrophobicContact CE1-CD2 3.84Å; F646-F656 AromaticContact CE1-CE2 3.65Å; F646-F656 HydrophobicContact CE1-CE2 3.65Å; F646-F656 HydrophobicContact CZ-CE2 4.29Å; I651-F656 HydrophobicContact CG2-CB 3.9Å; I651-F656 HydrophobicContact CG2-CD2 3.99Å; I651-F656 HydrophobicContact CG2-CG 4.46Å; D652-F656 VanDerWaalsContact O-CB 3.24Å; D652-F656 WeakPolarHBondContact O-CB 3.49Å; D652-F656 PolarHBondContact O-N 3.31Å; G653-F656 WeakPolarHBondContact O-CB 3.33Å; G653-F656 PolarHBondContact O-N 2.9Å; F656-L658 PolarHBondContact O-N 2.84Å; F656-L659 HydrophobicContact CD2-CD1 3.72Å; F656-L659 HydrophobicContact CE2-CD1 4.19Å; F656-L659 WeakPolarHBondContact O-CB 3.4Å; F656-L659 WeakPolarHBondContact O-CG 3.47Å; F656-L659 PolarHBondContact O-N 3.08Å; F656-L659 VanDerWaalsContact O-N 3.1Å; F656-I682 HydrophobicContact CD1-CG1 4.34Å; F656-I682 HydrophobicContact CE1-CD1 4.34Å; F656-I682 HydrophobicContact CE1-CG1 3.68Å; F656-I682 HydrophobicContact CE2-CD1 3.97Å; F656-I682 HydrophobicContact CE2-CG1 4.2Å; F656-I682 HydrophobicContact CZ-CD1 3.88Å; F656-I682 HydrophobicContact CZ-CG1 3.6Å; F656-L685 HydrophobicContact CD1-CD2 4.01Å; F656-L685 HydrophobicContact CE1-CD2 3.94Å
657I95Very high96.2Very high34 Ų3462.9 Ų62.917%0.17432%0.32CS..THydrogen-bonded Turntrans-69.5-9.7175.665.3174.9000113.7V620 G653 P654 L685 R686V620-I657 HydrophobicContact CG1-CG2 3.46Å; V620-I657 VanDerWaalsContact CG1-CG2 3.46Å; G653-I657 PolarHBondContact O-N 3.06Å; P654-I657 WeakPolarHBondContact O-CG1 3.38Å; I657-L685 HydrophobicContact CG2-CD2 4.29Å; I657-R686 VanDerWaalsContact O-CZ 3.26Å; I657-R686 PolarHBondContact O-NE 2.95Å; I657-R686 PolarHBondContact O-NH2 3.15Å
658L95.2Very high96.1Very high128 Ų12861.5 Ų61.567%0.6731%0.313SS*.THydrogen-bonded Turntrans-99.30.8173.7-67.4175.7000113.4P654 A655 F656P654-L658 VanDerWaalsContact O-CG 3.31Å; P654-L658 WeakPolarHBondContact O-CG 3.32Å; A655-L658 CarbonylContact O-C 3.52Å; A655-L658 WeakPolarHBondContact O-CA 3.32Å; A655-L658 PolarHBondContact O-N 3.11Å; F656-L658 PolarHBondContact O-N 2.84Å
659L96.9Very high96.1Very high7 Ų764 Ų644%0.03732%0.321CS..  trans-65.2141176.7-68.4179000112.5F646 I651 A655 F656 H663 L664 M668 I682 R686F646-L659 HydrophobicContact CE1-CD1 3.87Å; I651-L659 HydrophobicContact CG2-CD1 4.27Å; A655-L659 PolarHBondContact O-N 3.01Å; F656-L659 HydrophobicContact CD2-CD1 3.72Å; F656-L659 HydrophobicContact CE2-CD1 4.19Å; F656-L659 WeakPolarHBondContact O-CB 3.4Å; F656-L659 WeakPolarHBondContact O-CG 3.47Å; F656-L659 PolarHBondContact O-N 3.08Å; F656-L659 VanDerWaalsContact O-N 3.1Å; L659-H663 HydrophobicContact CD2-CB 4Å; L659-L664 HydrophobicContact CD1-CD2 4.18Å; L659-M668 HydrophobicContact CD1-CE 4.04Å; L659-M668 HydrophobicContact CD2-CE 3.62Å; L659-M668 HydrophobicContact CG-CE 4.47Å; L659-I682 HydrophobicContact CB-CD1 4.3Å; L659-I682 HydrophobicContact CD1-CD1 4.34Å; L659-R686 PolarHBondContact O-NH2 2.91Å
660R96.5Very high96.1Very high136 Ų13660.5 Ų60.551%0.51330%0.302SS..  trans-116.7160172.5-56.4-163.9-64-175.92.7109E662 H663 L664R660-E662 HydrophobicContact CB-CG 3.72Å; R660-E662 IonicContact CZ-OE1 3.37Å; R660-E662 IonicContact CZ-OE2 3.75Å; R660-E662 IonicContact NE-OE1 3.27Å; R660-E662 PolarHBondContact NE-OE1 3.26Å; R660-E662 IonicContact NH2-OE1 2.71Å; R660-E662 PolarHBondContact NH2-OE1 2.9Å; R660-E662 IonicContact NH2-OE2 3.19Å; R660-E662 PolarHBondContact NH2-OE2 2.9Å; R660-E662 PolarHBondContact O-N 2.84Å; R660-H663 PolarHBondContact N-ND1 3.44Å; R660-H663 WeakPolarHBondContact O-CA 3.24Å; R660-H663 WeakPolarHBondContact O-CB 3.45Å; R660-H663 PolarHBondContact O-N 3.23Å; R660-L664 PolarHBondContact O-N 2.83Å
661E96.5Very high96.2Very high83 Ų8365.3 Ų65.339%0.38831%0.307SS..Hα-helixtrans-54.4-40.9178.2-167.4-177.4-171.600111.6H663 L664 L665 L672 M679E661-H663 VanDerWaalsContact C-N 3.25Å; E661-H663 PolarHBondContact O-N 3.45Å; E661-L664 PolarHBondContact O-N 2.68Å; E661-L665 HydrophobicContact CG-CD1 3.8Å; E661-L665 HydrophobicContact CG-CG 4.14Å; E661-L665 WeakPolarHBondContact O-CB 3.34Å; E661-L665 WeakPolarHBondContact O-CG 3.32Å; E661-L665 PolarHBondContact O-N 2.89Å; E661-L672 WeakPolarHBondContact OE1-CD1 3.47Å; E661-M679 HydrophobicContact CB-CG 4.06Å; E661-M679 HydrophobicContact CB-SD 4.49Å; E661-M679 HydrophobicContact CG-CG 4.42Å; E661-M679 PolarHBondContact N-SD 3.23Å; E661-M679 VanDerWaalsContact N-SD 3.44Å
662E96.6Very high96.2Very high75 Ų7569.3 Ų69.335%0.3533%0.328SS..Hα-helixtrans-59.4-26.9173.153.1155.3-120.200114.8R660 N666R660-E662 HydrophobicContact CB-CG 3.72Å; R660-E662 IonicContact CZ-OE1 3.37Å; R660-E662 IonicContact CZ-OE2 3.75Å; R660-E662 IonicContact NE-OE1 3.27Å; R660-E662 PolarHBondContact NE-OE1 3.26Å; R660-E662 IonicContact NH2-OE1 2.71Å; R660-E662 PolarHBondContact NH2-OE1 2.9Å; R660-E662 IonicContact NH2-OE2 3.19Å; R660-E662 PolarHBondContact NH2-OE2 2.9Å; R660-E662 PolarHBondContact O-N 2.84Å; E662-N666 WeakPolarHBondContact O-CB 3.44Å; E662-N666 PolarHBondContact O-N 2.86Å; E662-N666 PolarHBondContact O-ND2 3.22Å
663H97Very high96.2Very high30 Ų3068.8 Ų68.814%0.13934%0.338CS..Iπ-helixtrans-74.9-45.8175.2-60.5175.3000109.9L659 R660 E661 R667 M668L659-H663 HydrophobicContact CD2-CB 4Å; R660-H663 PolarHBondContact N-ND1 3.44Å; R660-H663 WeakPolarHBondContact O-CA 3.24Å; R660-H663 WeakPolarHBondContact O-CB 3.45Å; R660-H663 PolarHBondContact O-N 3.23Å; E661-H663 VanDerWaalsContact C-N 3.25Å; E661-H663 PolarHBondContact O-N 3.45Å; H663-R667 WeakPolarHBondContact O-CB 3.5Å; H663-R667 PolarHBondContact O-N 2.87Å; H663-R667 VanDerWaalsContact O-N 3.15Å; H663-M668 HydrophobicContact CB-CE 4.24Å; H663-M668 PolarHBondContact O-N 2.83Å
664L97.5Very high96.3Very high0 Ų070.5 Ų70.50%035%0.345CS..Iπ-helixtrans-61.7-48.9177-62.4168.2000110.9F646 L659 R660 E661 M668 Q669 I670 A675 M678 M679F646-L664 HydrophobicContact CZ-CD2 4.07Å; L659-L664 HydrophobicContact CD1-CD2 4.18Å; R660-L664 PolarHBondContact O-N 2.83Å; E661-L664 PolarHBondContact O-N 2.68Å; L664-M668 HydrophobicContact CD2-CE 3.86Å; L664-M668 CarbonylContact O-C 3.44Å; L664-Q669 PolarHBondContact O-N 3.29Å; L664-Q669 VanDerWaalsContact O-N 3.12Å; L664-I670 HydrophobicContact CB-CB 4.46Å; L664-I670 HydrophobicContact CB-CD1 4.39Å; L664-I670 HydrophobicContact CD2-CD1 3.71Å; L664-I670 WeakPolarHBondContact O-CB 3.35Å; L664-I670 PolarHBondContact O-N 3.46Å; L664-A675 HydrophobicContact CB-CB 3.84Å; L664-A675 HydrophobicContact CD1-CB 4.26Å; L664-M678 HydrophobicContact CD1-CB 4Å; L664-M678 HydrophobicContact CD2-SD 4.02Å; L664-M679 HydrophobicContact CD1-CG 3.74Å; L664-M679 HydrophobicContact CD1-SD 3.68Å
665L97.3Very high96.5Very high49 Ų4968.3 Ų68.326%0.25733%0.331SS..Iπ-helixtrans-70.2-55.7-179.5-66.3178.2000112.9E661 Q669 L672 A675E661-L665 HydrophobicContact CG-CD1 3.8Å; E661-L665 HydrophobicContact CG-CG 4.14Å; E661-L665 WeakPolarHBondContact O-CB 3.34Å; E661-L665 WeakPolarHBondContact O-CG 3.32Å; E661-L665 PolarHBondContact O-N 2.89Å; L665-Q669 VanDerWaalsContact O-CA 3.27Å; L665-Q669 WeakPolarHBondContact O-CA 3.49Å; L665-Q669 PolarHBondContact O-N 3.39Å; L665-L672 HydrophobicContact CD1-CD1 4.07Å; L665-L672 HydrophobicContact CD2-CB 4.17Å; L665-L672 HydrophobicContact CD2-CD1 3.9Å; L665-A675 HydrophobicContact CD2-CB 3.79Å; L665-A675 HydrophobicContact CG-CB 4.25Å
666N95.7Very high96.5Very high124 Ų12470.1 Ų70.166%0.66334%0.338SS*.Iπ-helixtrans-94.5-30.5-163.6-54.2-33.8000113.4E662E662-N666 WeakPolarHBondContact O-CB 3.44Å; E662-N666 PolarHBondContact O-N 2.86Å; E662-N666 PolarHBondContact O-ND2 3.22Å
667R94.1Very high96.5Very high168 Ų16874.3 Ų74.363%0.63436%0.357SS*.Iπ-helixtrans-94.9-45.8-179.8-53-174-169.9-173.67.2111.4H663H663-R667 WeakPolarHBondContact O-CB 3.5Å; H663-R667 PolarHBondContact O-N 2.87Å; H663-R667 VanDerWaalsContact O-N 3.15Å
668M96Very high96.7Very high11 Ų1172.7 Ų72.75%0.05435%0.348CS..SBendtrans-91.8-8.2-179.3-79.6-179.3-85.300114.2L645 F646 L659 H663 L664 I670L645-M668 HydrophobicContact CD1-CG 4.44Å; L645-M668 HydrophobicContact CD2-CB 4.04Å; L645-M668 HydrophobicContact CD2-CG 4.43Å; L645-M668 VanDerWaalsContact CD2-O 3.32Å; L645-M668 WeakPolarHBondContact CD2-O 3.26Å; L645-M668 HydrophobicContact CG-CB 4.41Å; L645-M668 HydrophobicContact CG-CG 4.3Å; F646-M668 HydrophobicContact CE1-SD 4.29Å; F646-M668 HydrophobicContact CZ-SD 4.29Å; L659-M668 HydrophobicContact CD1-CE 4.04Å; L659-M668 HydrophobicContact CD2-CE 3.62Å; L659-M668 HydrophobicContact CG-CE 4.47Å; H663-M668 HydrophobicContact CB-CE 4.24Å; H663-M668 PolarHBondContact O-N 2.83Å; L664-M668 HydrophobicContact CD2-CE 3.86Å; L664-M668 CarbonylContact O-C 3.44Å; M668-I670 HydrophobicContact CB-CD1 3.88Å; M668-I670 HydrophobicContact CB-CG1 3.99Å; M668-I670 PolarHBondContact O-N 3.22Å; M668-I670 VanDerWaalsContact O-N 3.15Å; M668-I670 HydrophobicContact SD-CD1 4.28Å
669Q95.8Very high96.7Very high167 Ų16767.8 Ų67.878%0.7832%0.322SS*.  trans59.125.2176.1-50.5-178.518.200114.1L664 L665L664-Q669 PolarHBondContact O-N 3.29Å; L664-Q669 VanDerWaalsContact O-N 3.12Å; L665-Q669 VanDerWaalsContact O-CA 3.27Å; L665-Q669 WeakPolarHBondContact O-CA 3.49Å; L665-Q669 PolarHBondContact O-N 3.39Å
670I97.1Very high96.7Very high4 Ų469.7 Ų69.72%0.02134%0.339CS..  trans-72.2137.5179-64.9171.1000109Y642 L645 F646 L664 M668 H674 A675 M678Y642-I670 HydrophobicContact CD1-CD1 4.42Å; Y642-I670 HydrophobicContact CD1-CG1 3.84Å; Y642-I670 HydrophobicContact CE1-CB 4.32Å; Y642-I670 HydrophobicContact CE1-CG1 3.9Å; Y642-I670 HydrophobicContact CE1-CG2 4.17Å; Y642-I670 HydrophobicContact CE2-CG2 4.09Å; Y642-I670 HydrophobicContact CG-CD1 4.47Å; Y642-I670 HydrophobicContact CG-CG1 4.33Å; L645-I670 HydrophobicContact CD2-CD1 4.06Å; L645-I670 HydrophobicContact CD2-CG1 3.81Å; F646-I670 HydrophobicContact CE2-CD1 3.96Å; F646-I670 HydrophobicContact CZ-CD1 4.18Å; L664-I670 HydrophobicContact CB-CB 4.46Å; L664-I670 HydrophobicContact CB-CD1 4.39Å; L664-I670 HydrophobicContact CD2-CD1 3.71Å; L664-I670 WeakPolarHBondContact O-CB 3.35Å; L664-I670 PolarHBondContact O-N 3.46Å; M668-I670 HydrophobicContact CB-CD1 3.88Å; M668-I670 HydrophobicContact CB-CG1 3.99Å; M668-I670 PolarHBondContact O-N 3.22Å; M668-I670 VanDerWaalsContact O-N 3.15Å; M668-I670 HydrophobicContact SD-CD1 4.28Å; I670-H674 HydrophobicContact CG2-CB 3.86Å; I670-A675 HydrophobicContact CG2-CB 4.14Å; I670-M678 HydrophobicContact CD1-CE 4.44Å; I670-M678 HydrophobicContact CD1-SD 3.93Å; I670-M678 HydrophobicContact CG2-SD 4.19Å
671R97Very high96.7Very high190 Ų19063.8 Ų63.872%0.71732%0.32SS*.  trans-63.8138.2-179-65.3-176.9178.7-169.40.1110.4G673 H674 A675R671-G673 VanDerWaalsContact C-N 3.28Å; R671-G673 PolarHBondContact O-N 2.76Å; R671-G673 VanDerWaalsContact O-N 3.08Å; R671-H674 WeakPolarHBondContact O-CA 3.35Å; R671-H674 PolarHBondContact O-N 2.81Å; R671-A675 PolarHBondContact O-N 2.94Å
672L97.2Very high96.6Very high103 Ų10359.9 Ų59.954%0.53930%0.301SS..Hα-helixtrans-46.1-45.3-176.5-176.764.8000114.2E661 L665 H674 A675 V676E661-L672 WeakPolarHBondContact OE1-CD1 3.47Å; L665-L672 HydrophobicContact CD1-CD1 4.07Å; L665-L672 HydrophobicContact CD2-CB 4.17Å; L665-L672 HydrophobicContact CD2-CD1 3.9Å; L672-H674 VanDerWaalsContact C-N 3.3Å; L672-H674 PolarHBondContact O-N 3.47Å; L672-A675 PolarHBondContact O-N 3.03Å; L672-V676 HydrophobicContact CD1-CG2 3.92Å; L672-V676 HydrophobicContact CG-CG2 4.33Å; L672-V676 WeakPolarHBondContact O-CB 3.48Å; L672-V676 WeakPolarHBondContact O-CG2 3.4Å; L672-V676 PolarHBondContact O-N 3.27Å
673G96.7Very high96.6Very high54 Ų5459.5 Ų59.556%0.55730%0.301SS*.Hα-helixtrans-61.7-31.8177.700000114.7R671 K677R671-G673 VanDerWaalsContact C-N 3.28Å; R671-G673 PolarHBondContact O-N 2.76Å; R671-G673 VanDerWaalsContact O-N 3.08Å; G673-K677 WeakPolarHBondContact O-CG 3.35Å
674H97.4Very high96.4Very high36 Ų3664.1 Ų64.117%0.16732%0.318CS..Hα-helixtrans-84-37.9172.7-61.8141000111.7Y642 I670 R671 L672 V676 K677 M678Y642-H674 HydrophobicContact CE2-CB 3.83Å; Y642-H674 AromaticContact CE2-CG 3.82Å; Y642-H674 AromaticContact CE2-ND1 3.47Å; Y642-H674 WeakPolarHBondContact CE2-ND1 3.43Å; Y642-H674 AromaticContact CZ-ND1 3.61Å; Y642-H674 PolarHBondContact OH-ND1 3.05Å; I670-H674 HydrophobicContact CG2-CB 3.86Å; R671-H674 WeakPolarHBondContact O-CA 3.35Å; R671-H674 PolarHBondContact O-N 2.81Å; L672-H674 VanDerWaalsContact C-N 3.3Å; L672-H674 PolarHBondContact O-N 3.47Å; H674-V676 PolarHBondContact O-N 2.81Å; H674-K677 WeakPolarHBondContact O-CB 3.44Å; H674-K677 PolarHBondContact O-N 3.26Å; H674-M678 WeakPolarHBondContact O-CB 3.45Å; H674-M678 VanDerWaalsContact O-CG 3.32Å; H674-M678 WeakPolarHBondContact O-CG 3.18Å; H674-M678 PolarHBondContact O-N 3.29Å
675A97.6Very high96.2Very high0 Ų064.1 Ų64.10%032%0.318CS..Hα-helixtrans-60.1-44.117700000112L664 L665 I670 R671 L672 M678 M679L664-A675 HydrophobicContact CB-CB 3.84Å; L664-A675 HydrophobicContact CD1-CB 4.26Å; L665-A675 HydrophobicContact CD2-CB 3.79Å; L665-A675 HydrophobicContact CG-CB 4.25Å; I670-A675 HydrophobicContact CG2-CB 4.14Å; R671-A675 PolarHBondContact O-N 2.94Å; L672-A675 PolarHBondContact O-N 3.03Å; A675-M678 PolarHBondContact O-N 2.8Å; A675-M679 WeakPolarHBondContact O-CG 3.43Å; A675-M679 PolarHBondContact O-N 3.28Å
676V97.2Very high96Very high74 Ų7465.2 Ų65.245%0.44832%0.318SS..Hα-helixtrans-65.1-41.7176172.30000111.6L672 H674 A680L672-V676 HydrophobicContact CD1-CG2 3.92Å; L672-V676 HydrophobicContact CG-CG2 4.33Å; L672-V676 WeakPolarHBondContact O-CB 3.48Å; L672-V676 WeakPolarHBondContact O-CG2 3.4Å; L672-V676 PolarHBondContact O-N 3.27Å; H674-V676 PolarHBondContact O-N 2.81Å; V676-A680 WeakPolarHBondContact O-CB 3.33Å; V676-A680 PolarHBondContact O-N 3.29Å
677K97.2Very high95.6Very high87 Ų8764.7 Ų64.738%0.37831%0.312SS..Hα-helixtrans-59.7-47.4172.5-78.1178.5166.1-161.80111.7D636 T638 F639 G673 H674 A680 A681D636-K677 IonicContact OD1-NZ 3.93Å; D636-K677 WeakPolarHBondContact OD2-CD 3.49Å; D636-K677 WeakPolarHBondContact OD2-CE 3.32Å; D636-K677 IonicContact OD2-NZ 2.93Å; D636-K677 PolarHBondContact OD2-NZ 3.02Å; T638-K677 PolarHBondContact OG1-NZ 3.15Å; T638-K677 VanDerWaalsContact OG1-NZ 3.12Å; F639-K677 HydrophobicContact CE1-CB 3.85Å; F639-K677 HydrophobicContact CE1-CD 4.01Å; F639-K677 HydrophobicContact CZ-CB 3.72Å; F639-K677 HydrophobicContact CZ-CD 4.42Å; G673-K677 WeakPolarHBondContact O-CG 3.35Å; H674-K677 WeakPolarHBondContact O-CB 3.44Å; H674-K677 PolarHBondContact O-N 3.26Å; K677-A680 PolarHBondContact O-N 3.46Å; K677-A681 PolarHBondContact O-N 3.04Å; K677-A681 VanDerWaalsContact O-N 3.09Å
678M97.6Very high95.3Very high0 Ų058.6 Ų58.60%029%0.294CS..Hα-helixtrans-61.5-46.8179.9-75.217517200111.1L632 F639 Y642 F646 L664 I670 H674 A675 A680 A681 I682L632-M678 HydrophobicContact CD2-CE 4.31Å; L632-M678 HydrophobicContact CD2-CG 4.36Å; F639-M678 HydrophobicContact CB-CE 3.83Å; F639-M678 HydrophobicContact CD1-CE 3.58Å; F639-M678 HydrophobicContact CD1-CG 4.07Å; F639-M678 HydrophobicContact CD2-CE 4.16Å; F639-M678 HydrophobicContact CD2-CG 4.19Å; F639-M678 HydrophobicContact CE1-CE 4.12Å; F639-M678 HydrophobicContact CE1-CG 3.63Å; F639-M678 HydrophobicContact CE2-CG 3.76Å; F639-M678 HydrophobicContact CG-CE 3.59Å; F639-M678 HydrophobicContact CG-CG 4.33Å; F639-M678 HydrophobicContact CZ-CB 4.3Å; F639-M678 HydrophobicContact CZ-CG 3.46Å; F639-M678 VanDerWaalsContact CZ-CG 3.46Å; Y642-M678 HydrophobicContact CD2-CE 3.53Å; Y642-M678 HydrophobicContact CE2-CE 4.23Å; Y642-M678 HydrophobicContact CG-CE 4.15Å; F646-M678 HydrophobicContact CE2-CE 3.92Å; F646-M678 HydrophobicContact CE2-SD 4.23Å; F646-M678 HydrophobicContact CZ-CE 4.3Å; F646-M678 HydrophobicContact CZ-SD 4.06Å; L664-M678 HydrophobicContact CD1-CB 4Å; L664-M678 HydrophobicContact CD2-SD 4.02Å; I670-M678 HydrophobicContact CD1-CE 4.44Å; I670-M678 HydrophobicContact CD1-SD 3.93Å; I670-M678 HydrophobicContact CG2-SD 4.19Å; H674-M678 WeakPolarHBondContact O-CB 3.45Å; H674-M678 VanDerWaalsContact O-CG 3.32Å; H674-M678 WeakPolarHBondContact O-CG 3.18Å; H674-M678 PolarHBondContact O-N 3.29Å; A675-M678 PolarHBondContact O-N 2.8Å; M678-A680 PolarHBondContact O-N 2.78Å; M678-A681 PolarHBondContact O-N 2.9Å; M678-A681 VanDerWaalsContact O-N 3.13Å; M678-I682 WeakPolarHBondContact O-CB 3.27Å; M678-I682 VanDerWaalsContact O-CG1 3.26Å; M678-I682 WeakPolarHBondContact O-CG1 3.37Å; M678-I682 PolarHBondContact O-N 2.86Å
679M97Very high94.8Very high25 Ų2558.7 Ų58.712%0.12330%0.295CS..Hα-helixtrans-57.1-49174-72.9-54.9-49.900111.7E661 L664 A675 A681 I682 D683E661-M679 HydrophobicContact CB-CG 4.06Å; E661-M679 HydrophobicContact CB-SD 4.49Å; E661-M679 HydrophobicContact CG-CG 4.42Å; E661-M679 PolarHBondContact N-SD 3.23Å; E661-M679 VanDerWaalsContact N-SD 3.44Å; L664-M679 HydrophobicContact CD1-CG 3.74Å; L664-M679 HydrophobicContact CD1-SD 3.68Å; A675-M679 WeakPolarHBondContact O-CG 3.43Å; A675-M679 PolarHBondContact O-N 3.28Å; M679-A681 PolarHBondContact O-N 3.3Å; M679-A681 VanDerWaalsContact O-N 3.09Å; M679-I682 PolarHBondContact O-N 3.18Å; M679-I682 VanDerWaalsContact O-N 3.12Å; M679-D683 WeakPolarHBondContact O-CB 3.4Å; M679-D683 PolarHBondContact O-N 3.23Å
680A96.5Very high94Very high48 Ų4854.5 Ų54.540%0.39728%0.284SS..Hα-helixtrans-65.4-12.5179.200000114.7V676 K677 M678 R684V676-A680 WeakPolarHBondContact O-CB 3.33Å; V676-A680 PolarHBondContact O-N 3.29Å; K677-A680 PolarHBondContact O-N 3.46Å; M678-A680 PolarHBondContact O-N 2.78Å; A680-R684 WeakPolarHBondContact O-CG 3.34Å; A680-R684 PolarHBondContact O-NE 3.21Å
681A95.5Very high92.5Very high12 Ų1260.4 Ų60.410%0.09931%0.312CS..Hα-helixtrans-93.8-43.1169.900000111.8W631 T635 K677 M678 M679 D683 R684 L685W631-A681 HydrophobicContact CH2-CB 3.7Å; W631-A681 HydrophobicContact CZ3-CB 4.29Å; T635-A681 HydrophobicContact CG2-CB 3.82Å; K677-A681 PolarHBondContact O-N 3.04Å; K677-A681 VanDerWaalsContact O-N 3.09Å; M678-A681 PolarHBondContact O-N 2.9Å; M678-A681 VanDerWaalsContact O-N 3.13Å; M679-A681 PolarHBondContact O-N 3.3Å; M679-A681 VanDerWaalsContact O-N 3.09Å; A681-D683 VanDerWaalsContact C-N 3.26Å; A681-D683 PolarHBondContact O-N 3.12Å; A681-R684 PolarHBondContact O-N 3.18Å; A681-L685 PolarHBondContact O-N 3.24Å
682I95.7Very high90.7Very high0 Ų055.7 Ų55.70%030%0.3CS..Hα-helixtrans-59.5-37.5174.4-68.7163.7000110.8F656 L659 M678 M679 L685 R686F656-I682 HydrophobicContact CD1-CG1 4.34Å; F656-I682 HydrophobicContact CE1-CD1 4.34Å; F656-I682 HydrophobicContact CE1-CG1 3.68Å; F656-I682 HydrophobicContact CE2-CD1 3.97Å; F656-I682 HydrophobicContact CE2-CG1 4.2Å; F656-I682 HydrophobicContact CZ-CD1 3.88Å; F656-I682 HydrophobicContact CZ-CG1 3.6Å; L659-I682 HydrophobicContact CB-CD1 4.3Å; L659-I682 HydrophobicContact CD1-CD1 4.34Å; M678-I682 WeakPolarHBondContact O-CB 3.27Å; M678-I682 VanDerWaalsContact O-CG1 3.26Å; M678-I682 WeakPolarHBondContact O-CG1 3.37Å; M678-I682 PolarHBondContact O-N 2.86Å; M679-I682 PolarHBondContact O-N 3.18Å; M679-I682 VanDerWaalsContact O-N 3.12Å; I682-L685 CarbonylContact O-C 3.57Å; I682-L685 WeakPolarHBondContact O-CB 3.43Å; I682-L685 PolarHBondContact O-N 2.84Å; I682-R686 WeakPolarHBondContact O-CG 3.43Å; I682-R686 PolarHBondContact O-N 3.29Å
683D95.3Very high88.7Confident67 Ų6756.1 Ų56.136%0.35830%0.3SS..Hα-helixtrans-67.1-35.7178-70-34000112.4M679 A681 R686 E687M679-D683 WeakPolarHBondContact O-CB 3.4Å; M679-D683 PolarHBondContact O-N 3.23Å; A681-D683 VanDerWaalsContact C-N 3.26Å; A681-D683 PolarHBondContact O-N 3.12Å; D683-R686 WeakPolarHBondContact O-CB 3.48Å; D683-R686 PolarHBondContact O-N 3.1Å; D683-R686 IonicContact OD1-CZ 3.71Å; D683-R686 IonicContact OD1-NH1 2.79Å; D683-R686 PolarHBondContact OD1-NH1 2.95Å; D683-E687 WeakPolarHBondContact O-CG 3.32Å; D683-E687 PolarHBondContact O-N 3.23Å
684R93.2Very high86Confident127 Ų12760.3 Ų60.348%0.47931%0.308SS..Hα-helixtrans-67.2-38.6170.5-60.5177.3-160.8-154.22.7111.8A680 A681 R686 E687 T688A680-R684 WeakPolarHBondContact O-CG 3.34Å; A680-R684 PolarHBondContact O-NE 3.21Å; A681-R684 PolarHBondContact O-N 3.18Å; R684-R686 VanDerWaalsContact C-N 3.29Å; R684-R686 PolarHBondContact O-N 3.07Å; R684-E687 WeakPolarHBondContact O-CB 3.31Å; R684-E687 PolarHBondContact O-N 3.5Å; R684-T688 PolarHBondContact O-N 3.19Å; R684-T688 VanDerWaalsContact O-N 3.08Å
685L93.1Very high83.3Confident1 Ų164.1 Ų64.11%0.00534%0.336CS..Hα-helixtrans-65.6-33.1176-169.266.5000111.8Q617 V620 W623 W631 F656 I657 A681 I682 T688 V689Q617-L685 HydrophobicContact CB-CD1 3.73Å; Q617-L685 HydrophobicContact CG-CD1 3.67Å; V620-L685 HydrophobicContact CG1-CD2 4.06Å; V620-L685 HydrophobicContact CG2-CD1 3.71Å; V620-L685 HydrophobicContact CG2-CD2 4.21Å; V620-L685 HydrophobicContact CG2-CG 3.96Å; W623-L685 HydrophobicContact CH2-CD1 3.72Å; W623-L685 HydrophobicContact CH2-CD2 3.88Å; W623-L685 HydrophobicContact CH2-CG 4.44Å; W623-L685 HydrophobicContact CZ2-CD1 4.42Å; W623-L685 HydrophobicContact CZ3-CD1 4.41Å; W623-L685 HydrophobicContact CZ3-CD2 3.7Å; W631-L685 HydrophobicContact CH2-CB 4.35Å; W631-L685 HydrophobicContact CH2-CD2 4.22Å; W631-L685 HydrophobicContact CZ2-CB 4.04Å; W631-L685 HydrophobicContact CZ2-CD1 4.1Å; W631-L685 HydrophobicContact CZ2-CD2 3.96Å; W631-L685 HydrophobicContact CZ2-CG 4.27Å; F656-L685 HydrophobicContact CD1-CD2 4.01Å; F656-L685 HydrophobicContact CE1-CD2 3.94Å; I657-L685 HydrophobicContact CG2-CD2 4.29Å; A681-L685 PolarHBondContact O-N 3.24Å; I682-L685 CarbonylContact O-C 3.57Å; I682-L685 WeakPolarHBondContact O-CB 3.43Å; I682-L685 PolarHBondContact O-N 2.84Å; L685-T688 PolarHBondContact O-OG1 2.85Å; L685-V689 VanDerWaalsContact O-CG2 3.24Å; L685-V689 WeakPolarHBondContact O-CG2 3.39Å; L685-V689 PolarHBondContact O-N 2.74Å; L685-V689 VanDerWaalsContact O-N 3.15Å
686R92.5Very high80.2Confident71 Ų7172.6 Ų72.627%0.26841%0.406SS..Hα-helixtrans-65.8-45.5169.5-71.4165.9172.3151.60.8111.2I657 L659 I682 D683 R684 T688 V689 S690I657-R686 VanDerWaalsContact O-CZ 3.26Å; I657-R686 PolarHBondContact O-NE 2.95Å; I657-R686 PolarHBondContact O-NH2 3.15Å; L659-R686 PolarHBondContact O-NH2 2.91Å; I682-R686 WeakPolarHBondContact O-CG 3.43Å; I682-R686 PolarHBondContact O-N 3.29Å; D683-R686 WeakPolarHBondContact O-CB 3.48Å; D683-R686 PolarHBondContact O-N 3.1Å; D683-R686 IonicContact OD1-CZ 3.71Å; D683-R686 IonicContact OD1-NH1 2.79Å; D683-R686 PolarHBondContact OD1-NH1 2.95Å; R684-R686 VanDerWaalsContact C-N 3.29Å; R684-R686 PolarHBondContact O-N 3.07Å; R686-T688 VanDerWaalsContact C-N 3.32Å; R686-T688 PolarHBondContact O-N 3.27Å; R686-V689 PolarHBondContact O-N 3.15Å; R686-S690 WeakPolarHBondContact O-CB 3.47Å; R686-S690 PolarHBondContact O-N 2.75Å; R686-S690 PolarHBondContact O-OG 3.36Å
687E88.9Confident79.3Confident113 Ų11372.6 Ų72.653%0.52840%0.404SS..Hα-helixtrans-56.7-43177.7-72.6171.6170.100112.2D683 R684 Q691D683-E687 WeakPolarHBondContact O-CG 3.32Å; D683-E687 PolarHBondContact O-N 3.23Å; R684-E687 WeakPolarHBondContact O-CB 3.31Å; R684-E687 PolarHBondContact O-N 3.5Å; E687-Q691 VanDerWaalsContact O-CG 3.27Å; E687-Q691 WeakPolarHBondContact O-CG 3.32Å; E687-Q691 PolarHBondContact O-N 2.74Å; E687-Q691 VanDerWaalsContact O-N 3.12Å; E687-Q691 PolarHBondContact O-NE2 3.46Å
688T86.6Confident78.4Confident41 Ų4171.8 Ų71.825%0.25241%0.405SS..Hα-helixtrans-68.9-44.1176.755.90000112.7R684 L685 R686 S690 Q691 N692R684-T688 PolarHBondContact O-N 3.19Å; R684-T688 VanDerWaalsContact O-N 3.08Å; L685-T688 PolarHBondContact O-OG1 2.85Å; R686-T688 VanDerWaalsContact C-N 3.32Å; R686-T688 PolarHBondContact O-N 3.27Å; T688-S690 VanDerWaalsContact C-N 3.27Å; T688-S690 PolarHBondContact O-N 2.71Å; T688-Q691 PolarHBondContact O-N 3.29Å; T688-N692 PolarHBondContact O-N 3.38Å
689V85.2Confident77.3Confident12 Ų1275.8 Ų75.87%0.07343%0.428CS..Hα-helixtrans-64.2-31.9177172.80000111.8Q617 V620 L685 R686 Q693Q617-V689 WeakPolarHBondContact O-CG2 3.46Å; V620-V689 HydrophobicContact CB-CG2 3.82Å; V620-V689 HydrophobicContact CG2-CG2 3.54Å; L685-V689 VanDerWaalsContact O-CG2 3.24Å; L685-V689 WeakPolarHBondContact O-CG2 3.39Å; L685-V689 PolarHBondContact O-N 2.74Å; L685-V689 VanDerWaalsContact O-N 3.15Å; R686-V689 PolarHBondContact O-N 3.15Å; V689-Q693 PolarHBondContact O-NE2 3.48Å
690S79.4Confident76.2Confident79 Ų7978.8 Ų78.855%0.55245%0.446SS*.Hα-helixtrans-75-37.7177.1-74.30000113.5R686 T688 N692 Q693R686-S690 WeakPolarHBondContact O-CB 3.47Å; R686-S690 PolarHBondContact O-N 2.75Å; R686-S690 PolarHBondContact O-OG 3.36Å; T688-S690 VanDerWaalsContact C-N 3.27Å; T688-S690 PolarHBondContact O-N 2.71Å; S690-N692 VanDerWaalsContact C-N 3.3Å; S690-N692 PolarHBondContact O-N 3.33Å; S690-Q693 PolarHBondContact O-N 3.11Å
691Q65.6Low74.9Confident129 Ų12980.7 Ų80.760%0.60345%0.449SS*.Hα-helixtrans-62.7-37.2179.5-75.5167.347.500112.1E687 T688 Q693E687-Q691 VanDerWaalsContact O-CG 3.27Å; E687-Q691 WeakPolarHBondContact O-CG 3.32Å; E687-Q691 PolarHBondContact O-N 2.74Å; E687-Q691 VanDerWaalsContact O-N 3.12Å; E687-Q691 PolarHBondContact O-NE2 3.46Å; T688-Q691 PolarHBondContact O-N 3.29Å; Q691-Q693 PolarHBondContact O-N 3.07Å; Q691-Q693 VanDerWaalsContact O-N 3.14Å
692N59.3Low73.5Confident90 Ų9085.3 Ų85.348%0.48147%0.472SS..THydrogen-bonded Turntrans-78.910.7-177.2-72.510000115.1E618 T688 S690E618-N692 WeakPolarHBondContact CB-ND2 3.3Å; E618-N692 VanDerWaalsContact CG-ND2 3.3Å; E618-N692 WeakPolarHBondContact CG-ND2 3.39Å; E618-N692 PolarHBondContact OE1-ND2 3.06Å; T688-N692 PolarHBondContact O-N 3.38Å; S690-N692 VanDerWaalsContact C-N 3.3Å; S690-N692 PolarHBondContact O-N 3.33Å
693Q56.1Low72Confident112 Ų11291.4 Ų91.452%0.52351%0.506SS..THydrogen-bonded Turntrans-109.315.6176.9-73.8171.7104.200113.2V689 S690 Q691 P695V689-Q693 PolarHBondContact O-NE2 3.48Å; S690-Q693 PolarHBondContact O-N 3.11Å; Q691-Q693 PolarHBondContact O-N 3.07Å; Q691-Q693 VanDerWaalsContact O-N 3.14Å; Q693-P695 WeakPolarHBondContact O-CD 3.2Å
694I39.9Very low70.2Confident142 Ų14293.2 Ų93.273%0.72852%0.517SS*.  trans-98.8107.6170.9-55.8176.2000108.7
695P39.5Very low68.2Low117 Ų11790.4 Ų90.476%0.7652%0.52SS*.  trans-68.4147.8164.430.6-33.7000110.2Q693Q693-P695 WeakPolarHBondContact O-CD 3.2Å
696A32.9Very low66Low178 Ų17898.5 Ų98.5100%1.47157%0.567SS**  trans-75.60178.700000113.2

Retrieved 696 of 696 residues in 312.4 ms (Link to these results)