A0A5K4FCD3_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 984 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.6Very low37Very low214 Ų214147.1 Ų147.1100%1.05480%0.804SS**  063.70-61.7-178.7-171.200107
2D34.5Very low37Very low140 Ų140146.3 Ų146.375%0.74980%0.795SS**  73.3127.262.9-41.4-27000108.2
3D33.9Very low36.9Very low149 Ų149142.2 Ų142.280%0.79778%0.784SS**  cis-164.8-169.2-6.2-141.8-46.1000107.8
4A39.4Very low36.8Very low73 Ų73146.8 Ų146.860%0.60378%0.784SS**  trans38.4116145.800000120.8
5V35.4Very low36.5Very low136 Ų136147.9 Ų147.982%0.82478%0.782SS**  40.6100.6126.7-1730000117.2
6K42.2Very low36.3Very low205 Ų205145.1 Ų145.189%0.89178%0.779SS**  trans-148.788.5153.4-118.9158.9-170.1166.80113.5
7L32.2Very low36Very low179 Ų179147.5 Ų147.594%0.93778%0.784SS**  trans-70.6124.9163.1-87.9164000110
8S40.3Very low36Very low107 Ų107145.2 Ų145.275%0.74878%0.779SS**  trans-161136.616257.40000111.4
9A36.9Very low35.7Very low81 Ų81144.9 Ų144.967%0.66978%0.776SS**  cis-179.5165.9-28.700000106.9
10I38.3Very low35.4Very low147 Ų147146.6 Ų146.675%0.75478%0.779SS**  trans69.1117.6168.3-55.4145.7000112.9I12I10-I12 HydrophobicContact CG2-CD1 4.18Å
11K36.3Very low35.3Very low187 Ų187143.9 Ų143.981%0.81377%0.772SS**  -151.9114.551.3-152.1164.3-178.1176.20108.7
12I37Very low35.1Very low137 Ų137141.2 Ų141.270%0.70376%0.762SS**  57.711688.8-60.2170000110.5I10I10-I12 HydrophobicContact CG2-CD1 4.18Å
13S35.6Very low35.1Very low93 Ų93138.1 Ų138.165%0.6576%0.763SS**  cis-154.5169.317.8-90.50000109.1
14R35.2Very low34.9Very low207 Ų207134.8 Ų134.878%0.78175%0.745SS**  cis-161.9131.8-10-108.5171.8-178177.2-0.6105.2
15Q32.7Very low34.7Very low163 Ų163136.7 Ų136.776%0.76275%0.749SS**  65.1125.488.9-171.6-177.611.800114.1
16S33.2Very low34.4Very low103 Ų103134.1 Ų134.172%0.7273%0.733SS**  cis-170.4154.7-12.646.80000112
17Q30.7Very low34Very low186 Ų186129.4 Ų129.487%0.86972%0.717SS**  trans-92.5177155.7-89.2-175.1-24.800109.9
18P36.7Very low33.8Very low106 Ų106127.8 Ų127.869%0.68871%0.709SS**  cis-131.4-156.5-16.632-9000112.6
19L30.6Very low33.4Very low141 Ų141129.5 Ų129.574%0.73872%0.716SS**  trans89125.9151.5-117.977.3000120.5
20E30Very low33.1Very low178 Ų178130.6 Ų130.683%0.83272%0.718SS**  trans58.4154.1157.6-36.5-159.2153.100118.6
21S32.5Very low32.9Very low90 Ų90133 Ų13363%0.62973%0.727SS**  cis-143.8167.1-10.475.50000109.8
22D33.3Very low32.6Very low158 Ų158129.3 Ų129.385%0.84572%0.719SS**  trans48.3145.9156.1-49.7-51.3000122
23G34.5Very low32.4Very low75 Ų75130.2 Ų130.277%0.77373%0.726SS**  trans136.292.216100000115.6
24L30.1Very low32.4Very low79 Ų79130.2 Ų130.241%0.41473%0.731SS.*  trans-62141.7163.3-81.653.6000110.5T180 L181 T182L24-T180 HydrophobicContact CB-CG2 3.71Å; L24-T180 HydrophobicContact CD2-CG2 3.89Å; L24-T180 HydrophobicContact CG-CG2 3.7Å; L24-L181 VanDerWaalsContact CD2-O 3.25Å; L24-L181 WeakPolarHBondContact CD2-O 3.38Å; L24-L181 WeakPolarHBondContact CG-O 3.44Å; L24-T182 HydrophobicContact CD1-CG2 3.83Å; L24-T182 WeakPolarHBondContact CD2-OG1 3.35Å
25T34.5Very low32.3Very low113 Ų113128.6 Ų128.669%0.69374%0.735SS**  -167.9141.7118.518.30000111.6T179 T180T25-T179 HydrophobicContact CG2-CG2 3.7Å; T25-T180 WeakPolarHBondContact CA-OG1 3.18Å
26V30.2Very low32.3Very low81 Ų81125.6 Ų125.649%0.49173%0.732SS.*  trans-101.9145.8173.51660000109T179 T180V26-T179 VanDerWaalsContact O-CG2 3.24Å; V26-T179 WeakPolarHBondContact O-CG2 3.38Å; V26-T180 HydrophobicContact CB-CG2 4.15Å; V26-T180 HydrophobicContact CG2-CG2 3.74Å; V26-T180 PolarHBondContact N-OG1 2.97Å
27I32.7Very low32.6Very low107 Ų107127 Ų12755%0.54974%0.736SS.*  trans174.4148.6134.5-91.1159.3000109.4E178 T179I27-E178 HydrophobicContact CD1-CB 4.11Å; I27-T179 HydrophobicContact CD1-CG2 4.05Å
28N27.7Very low32.8Very low144 Ų144125.9 Ų125.977%0.7774%0.735SS**  trans-70.8150.1-178.5-49.7-73.2000112.7
29T32.2Very low32.9Very low144 Ų144125.5 Ų125.588%0.88373%0.732SS**  -161.1161.1117.27.70000113
30S30.3Very low32.9Very low104 Ų104129.9 Ų129.973%0.72774%0.739SS**  trans-64.1149.8-179.352.50000114.4
31E34.4Very low33.1Very low198 Ų198129.6 Ų129.693%0.92574%0.742SS**  trans-142.9154.3136-134.9167.2-140.700111.8
32T31.5Very low33.3Very low108 Ų108133.6 Ų133.666%0.66376%0.756SS**  trans-121.9162.7-172.350.90000111.3
33N32.1Very low33.2Very low157 Ų157137.4 Ų137.484%0.8476%0.758SS**  trans84.8103.6169.9-45.8-69000117.4
34A35Very low33Very low93 Ų93140.4 Ų140.477%0.76976%0.762SS**  trans-150.3118.5142.800000111.7
35M34.4Very low33.1Very low173 Ų173145.7 Ų145.785%0.85279%0.787SS**  trans44.286.3145.2-48.3-63.3-88.500117.9
36S32.1Very low32.9Very low100 Ų100146.7 Ų146.770%0.69979%0.793SS**  53.7105.281.181.10000117.6
37V38.7Very low32.9Very low132 Ų132148.5 Ų148.580%0.881%0.809SS**  trans-151.7103.3141.5177.60000111.3
38L34.6Very low33Very low162 Ų162155.2 Ų155.285%0.84883%0.827SS**  trans61.8156.7148.4-63174.9000122.3
39P40.2Very low33Very low98 Ų98156.1 Ų156.164%0.63683%0.832SS**  trans-141.9-159.4-146.438-13.6000115.6
40R30.2Very low33Very low233 Ų233154.1 Ų154.188%0.87982%0.824SS**  trans70100.8163.8-62.3166.7175.2151.3-3.7117.5
41L34Very low32.9Very low172 Ų172157.9 Ų157.990%0.90183%0.83SS**SBendtrans-155.5-3.6143.8-142.385.3000117.5
42L36.3Very low32.8Very low175 Ų175153.8 Ų153.892%0.91683%0.83SS**SBendtrans-135.763.3-172.8-101.5157.9000114.4
43R31.6Very low32.9Very low237 Ų237152.7 Ų152.789%0.89483%0.832SS**SBendtrans-136.2155.7150.4-84.2-167.2176.3980.1108.1
44T30.1Very low32.9Very low138 Ų138152.1 Ų152.185%0.84783%0.829SS**  trans69.480.1-176.5-46.50000114.3
45M32Very low33Very low191 Ų191155.2 Ų155.294%0.94183%0.833SS**  trans-161.649.4147.2-106.6-53.8-16400110.4
46T29.9Very low32.9Very low133 Ų133153.8 Ų153.882%0.81683%0.829SS**  trans-120.4140.1168.545.60000109
47S30.8Very low32.9Very low119 Ų119158.1 Ų158.183%0.83284%0.838SS**SBendtrans60.589.9178.2-160.70000117.3
48R34.2Very low32.6Very low248 Ų248156.9 Ų156.994%0.93684%0.835SS**  -171.1107.8128.7-107.8174.7179.1-178.1-0.9111.3
49N28.5Very low32.5Very low163 Ų163152.3 Ų152.387%0.87283%0.827SS**  trans-147.168.8166.3-174.433000109.9
50S31.5Very low32.3Very low102 Ų102154 Ų15471%0.71384%0.836SS**  trans-156154.6173.7-66.40000109.6
51Q29.3Very low32.6Very low184 Ų184150.1 Ų150.186%0.8683%0.828SS**  trans56.799.3176-96.472.213.100117
52A31.3Very low32.6Very low112 Ų112147.1 Ų147.193%0.92681%0.812SS**  trans-154.870.2151.700000109.8
53A34.2Very low32.5Very low85 Ų85144.6 Ų144.670%0.70280%0.8SS**  trans-125.8127174.300000109
54N31.8Very low32.7Very low145 Ų145140.2 Ų140.278%0.77579%0.789SS**  trans60.9132.6-179.1-50.9-20.5000113.4
55D38.5Very low32.8Very low157 Ų157140.5 Ų140.584%0.8478%0.784SS**  -150.3169.560.5-95-41.7000114.6
56N30.4Very low32.8Very low144 Ų144135.7 Ų135.777%0.7777%0.77SS**  trans-104.1129.5-176.3-62.2-82.2000112.6
57Q34Very low32.8Very low190 Ų190136.5 Ų136.589%0.88877%0.769SS**  trans173.3155.3150.8-100.2159.754.900109.7
58S31.2Very low32.9Very low106 Ų106133.3 Ų133.374%0.74175%0.754SS**  cis-175.7134-31.349.70000108.4
59G33.7Very low32.8Very low67 Ų67124.4 Ų124.469%0.69172%0.723SS**  trans152.2111.5173.800000111.4
60V35.9Very low32.9Very low134 Ų134121.7 Ų121.781%0.81271%0.708SS**  74.811468.11720000110.3
61E34.8Very low32.8Very low151 Ų151120.8 Ų120.871%0.70670%0.701SS**  cis-163162.44.5-125.7-176.513300114.1
62N34.8Very low32.8Very low108 Ų108121 Ų12158%0.57870%0.7SS**  trans77.7118.5140.9-72.4-22.7000125.4
63N34.8Very low32.6Very low122 Ų122120.1 Ų120.165%0.65269%0.686SS**  trans89.4132.7133.7-61.9-16.3000120.8
64Q34.5Very low32.2Very low145 Ų145122 Ų12268%0.67869%0.689SS**  cis-164.2144.5-14-122.617250.400111
65I33.5Very low32.2Very low144 Ų144120.8 Ų120.874%0.73869%0.692SS**  trans45.2143.2141.4-63.8165.9000120.1
66S30.9Very low32Very low91 Ų91120.6 Ų120.664%0.63669%0.689SS**  cis171.8137-36.4-101.40000109.7
67N29.3Very low32.3Very low150 Ų150119.9 Ų119.980%0.80269%0.692SS**  trans66132150.5-49.7-9.5000121.3
68G34.1Very low32.2Very low51 Ų51114.2 Ų114.253%0.52669%0.685SS.*  trans175.2106.6166.600000117.6P541 H542G68-P541 PolarHBondContact N-O 3.47Å; G68-H542 WeakPolarHBondContact CA-O 3.44Å
69E32Very low32.4Very low61 Ų61114.7 Ų114.729%0.28569%0.689SS.*  trans-104165.6170.7-68.6-170.110300114.2L540 P541 H542 N543E69-L540 WeakPolarHBondContact OE1-CD1 3.45Å; E69-L540 WeakPolarHBondContact OE2-CA 3.29Å; E69-L540 WeakPolarHBondContact OE2-CB 3.45Å; E69-L540 WeakPolarHBondContact OE2-CD1 3.28Å; E69-L540 WeakPolarHBondContact OE2-CG 3.3Å; E69-P541 VanDerWaalsContact N-C 3.3Å; E69-P541 WeakPolarHBondContact OE2-CA 3.35Å; E69-H542 CarbonylContact O-C 3.11Å; E69-H542 WeakPolarHBondContact O-CA 3.47Å; E69-N543 PolarHBondContact O-N 3.35Å
70L31.3Very low32.2Very low106 Ų106116 Ų11656%0.55569%0.693SS**  -154.5142.4114.9-113.2170.2000112.9H542L70-H542 WeakPolarHBondContact CD1-ND1 3.4Å
71C27.7Very low32.2Very low83 Ų83116.2 Ų116.256%0.56169%0.694SS**  trans-78.4155.6174.4178.60000112.1
72F29.2Very low32.2Very low190 Ų190115.4 Ų115.483%0.83370%0.695SS**  trans-164.6117.6139.6-94.7-56.3000115
73S28.4Very low32.2Very low92 Ų92116.5 Ų116.564%0.64370%0.701SS**  trans37.7116.5137.5-56.70000124.2
74V25.7Very low32.3Very low126 Ų126115.9 Ų115.976%0.76471%0.706SS**  41.5125.6114-179.30000120.2
75S31.2Very low32.3Very low118 Ų118116.1 Ų116.183%0.82571%0.711SS**  trans-159.2150.4136.4-82.30000111.8
76I34.7Very low32.3Very low153 Ų153113.9 Ų113.979%0.78571%0.709SS**  trans-124.4144.5-178.2-58.7167.2000108.7
77P37.5Very low32.6Very low129 Ų129114.6 Ų114.684%0.83871%0.714SS**  trans-136.2156.9133.837.6-27.2000113.6
78G30.4Very low32.9Very low72 Ų72112.9 Ų112.974%0.74271%0.714SS**  cis146.243.2-8.700000118.9
79S35Very low33Very low116 Ų116115.2 Ų115.281%0.81172%0.722SS**  trans-178.6143.7159.246.30000109
80A31.4Very low33Very low95 Ų95117.4 Ų117.479%0.78574%0.744SS**  cis83.59216.500000116.4
81V35.7Very low33Very low138 Ų138117.3 Ų117.384%0.83675%0.752SS**  trans-160.5118.6142.2-98.30000111.4
82N34.4Very low33.2Very low134 Ų134118.3 Ų118.372%0.71776%0.76SS**  trans36.3135.7133.1-75.857000125.4
83D34.9Very low33.2Very low131 Ų131113.5 Ų113.570%0.70175%0.75SS**  trans72.8123.7133-53.9-24.1000123
84S35.5Very low33.3Very low108 Ų108118.5 Ų118.576%0.75576%0.76SS**  trans29.1129.8133.6-49.30000119.2
85D34.5Very low33.5Very low150 Ų150120.3 Ų120.380%0.80276%0.762SS**  -161.4166.669.9-135.1-40.7000116.7
86S35.1Very low33.5Very low97 Ų97119.8 Ų119.868%0.67876%0.759SS**  trans-22.4140.1165.2-52.60000120.4
87S37Very low33.4Very low107 Ų107118.9 Ų118.975%0.74876%0.761SS**  156.1149100.555.60000115.1
88S35.7Very low33.2Very low114 Ų114118.8 Ų118.880%0.79776%0.76SS**  trans43141.5154.645.60000121.4
89S35.6Very low33.4Very low99 Ų99120.4 Ų120.469%0.69276%0.76SS**  cis-155140.718.745.30000110.6
90S32.7Very low33.4Very low108 Ų108120.7 Ų120.776%0.75576%0.762SS**  60.113396.2-34.80000114.4
91S31.6Very low33.5Very low103 Ų103119.9 Ų119.972%0.7276%0.763SS**  cis-147131.413.4-65.80000108.3
92S31.3Very low33.3Very low104 Ų104118.6 Ų118.673%0.72776%0.76SS**  67.5124.168.481.10000115.9
93S29Very low33.1Very low89 Ų89117.1 Ų117.162%0.62276%0.761SS**  trans-50.4168.8167.9520000115.6
94F30.1Very low33.2Very low197 Ų197117.9 Ų117.986%0.86476%0.764SS**  -163.2179.2118.3-90.2-53.6000112.3
95M31.1Very low32.8Very low164 Ų164119.8 Ų119.881%0.80876%0.764SS**  trans-122.5170.4-161.5-62.116652.800114.2
96S30.4Very low32.6Very low108 Ų108116 Ų11676%0.75575%0.749SS**  trans93.4154.7144-62.20000120.8
97T31.9Very low32.4Very low133 Ų133120.2 Ų120.282%0.81676%0.756SS**  trans-82.6162.5-17449.30000114.1
98P34.9Very low32.2Very low128 Ų128123.2 Ų123.283%0.83176%0.762SS**  trans-113.3159.9152.637.4-28.8000112.6
99S33.7Very low32Very low106 Ų106123.2 Ų123.274%0.74176%0.762SS**  trans-150.3139.2169176.30000111.2
100S35.6Very low32.2Very low121 Ų121124.7 Ų124.785%0.84677%0.77SS**  trans65130.8162.2-54.70000118.4
101G32.3Very low32.2Very low79 Ų79122.9 Ų122.981%0.81477%0.768SS**  trans171.371.817900000115
102S31.5Very low32.3Very low111 Ų111126.6 Ų126.678%0.77677%0.773SS**  trans-33.6150.4175.8-43.40000118.1
103S31.8Very low32.5Very low103 Ų103128.1 Ų128.172%0.7277%0.773SS**  167.4160.499.4-67.60000115.3
104L35Very low32.7Very low147 Ų147127.2 Ų127.277%0.7778%0.777SS**  trans75.8116.5160.1-49.8-165.8000117.5
105I28.7Very low33.2Very low147 Ų147123.5 Ų123.575%0.75477%0.773SS**  78.7121.8101.2-70.1173.3000112.5
106S29.7Very low33.1Very low70 Ų70122 Ų12249%0.4977%0.773SS.*  cis-167.91686.8-126.30000114.1
107F31.1Very low33.2Very low187 Ų187121.4 Ų121.482%0.8277%0.774SS**  trans55.2132148-55.8-38.8000119
108L31.8Very low33Very low169 Ų169118.6 Ų118.689%0.88577%0.765SS**  cis-143.6174.219.1-107.5138.4000112.4
109S31.4Very low32.6Very low114 Ų114121.1 Ų121.180%0.79777%0.768SS**  trans-118.6169.5-162.5-66.50000114.9
110P39.7Very low32.3Very low131 Ų131120.6 Ų120.685%0.85177%0.77SS**  trans-110.5174.4-162.841.8-35.5000115.9
111G32.9Very low31.8Very low70 Ų70119.1 Ų119.172%0.72277%0.765SS**  trans112.2137.6137.800000119
112H35Very low31.5Very low180 Ų180119.4 Ų119.483%0.83375%0.751SS**  trans-152.6162.7151.7-132.361.6000114.1
113L34.4Very low31.2Very low136 Ų136116 Ų11671%0.71273%0.73SS**  trans-67.6167.5-171.8-65.764.1000112.5
114G32.9Very low31Very low70 Ų70118.6 Ų118.672%0.72274%0.735SS**  cis86.5163.619.200000112.8
115P41.7Very low30.6Very low119 Ų119113.6 Ų113.677%0.77371%0.712SS**  cis-120.2-169-24.241.9-27.6000111.7
116V29.6Very low30.5Very low133 Ų133112.6 Ų112.681%0.80671%0.712SS**  trans162.3128139.2152.80000112.3
117A31.3Very low30.4Very low95 Ų95113.6 Ų113.679%0.78573%0.725SS**  trans56.5156.2158.200000121
118A28.7Very low30.4Very low74 Ų74111.1 Ų111.161%0.61273%0.725SS**  cis-168.9143-29.700000111.2
119M26.3Very low30.4Very low182 Ų182108.2 Ų108.290%0.89771%0.714SS**  trans65.2157.9159.1-63.6-179.2-70.700119.6
120A27.1Very low30.1Very low95 Ų95109 Ų10979%0.78571%0.714SS**  trans54.8109.4178.800000115.8
121A25Very low29.5Very low90 Ų90110.3 Ų110.374%0.74471%0.711SS**  cis72.3144.13400000115.3
122V25.7Very low29.3Very low84 Ų84112.4 Ų112.451%0.50972%0.715SS.*  trans72.795.4177.6-163.90000116.3T470 M471 L472V122-T470 HydrophobicContact CB-CG2 3.73Å; V122-T470 HydrophobicContact CG1-CG2 3.58Å; V122-M471 WeakPolarHBondContact CG1-O 3.48Å; V122-L472 HydrophobicContact CG1-CB 4.17Å; V122-L472 HydrophobicContact CG1-CD1 4.21Å
123A24.9Very low29.1Very low41 Ų41110.3 Ų110.334%0.33972%0.715SS.*  trans98.2139.1145.100000122.2M471 L472A123-M471 HydrophobicContact CB-CB 3.7Å; A123-M471 HydrophobicContact CB-CG 4.06Å; A123-M471 HydrophobicContact CB-SD 4.1Å; A123-L472 HydrophobicContact CB-CB 4.33Å; A123-L472 HydrophobicContact CB-CD1 3.51Å; A123-L472 HydrophobicContact CB-CG 3.48Å; A123-L472 VanDerWaalsContact CB-CG 3.48Å
124L28.3Very low28.9Very low157 Ų157109.9 Ų109.982%0.82271%0.713SS**  -147.5120.2121.6-109.6167.8000109M471L124-M471 HydrophobicContact CD2-SD 4.05Å
125S26.5Very low28.7Very low41 Ų41113.8 Ų113.829%0.28772%0.717SS.*  trans-116148.7169.4174.40000108.8
126T26.1Very low28.3Very low126 Ų126116.6 Ų116.677%0.77372%0.724SS**  trans56.392.8167.429.70000115.8
127A28.8Very low28.5Very low92 Ų92118 Ų11876%0.7672%0.721SS**  trans-129.274.4163.300000110.2
128V30Very low28.3Very low135 Ų135121.8 Ų121.882%0.81872%0.723SS**  trans-93.6100.1165.7176.90000107.1T130V128-T130 PolarHBondContact O-N 3.24Å
129T31.8Very low28.5Very low107 Ų107123.5 Ų123.566%0.65673%0.731SS**  trans-65.8122.5179.9-56.80000110.5M131T129-M131 HydrophobicContact CG2-CE 4.24Å; T129-M131 HydrophobicContact CG2-CG 4.33Å; T129-M131 PolarHBondContact O-N 3.27Å
130T25.7Very low28.8Very low130 Ų130120.7 Ų120.780%0.79873%0.729SS**  trans-64.6114.7174.148.80000110.7V128V128-T130 PolarHBondContact O-N 3.24Å
131M27.7Very low28.9Very low160 Ų160119.8 Ų119.879%0.78873%0.728SS**  trans-126.7116.1175.2-66.6-85.387.900109.6T129T129-M131 HydrophobicContact CG2-CE 4.24Å; T129-M131 HydrophobicContact CG2-CG 4.33Å; T129-M131 PolarHBondContact O-N 3.27Å
132S29Very low29Very low113 Ų113123.6 Ų123.679%0.7974%0.736SS**  trans4.2112.9170.4-166.50000118.4
133V29.7Very low29.2Very low137 Ų137126 Ų12683%0.8375%0.75SS**  trans-79.7116.6157.5-79.10000110.1
134N29.6Very low29.5Very low126 Ų126129.5 Ų129.567%0.67477%0.767SS**  trans-165.3153.3150.6-97.9-20.8000108.2
135D28.6Very low29.6Very low153 Ų153128.6 Ų128.682%0.81876%0.762SS**  trans53.5103.1178.9-59.4-47.4000117.2
136I34.9Very low29.9Very low178 Ų178131 Ų13191%0.91379%0.785SS**  -159.9136.8129.9-103.9153.2000110
137Q33Very low30.3Very low161 Ų161130.7 Ų130.775%0.75278%0.783SS**  trans-99.6137.9-174.7-178.2179.3-13.800111.3
138E27.2Very low30.3Very low176 Ų176128 Ų12882%0.82276%0.761SS**  trans17.2103162.7-58.1-172.3135.400119
139S32.1Very low30.3Very low110 Ų110124.8 Ų124.877%0.76974%0.744SS**  trans-160.8126.2142.820.90000114.4
140S33.9Very low30.6Very low123 Ų123123.2 Ų123.286%0.8674%0.738SS**  trans44.588.7145.9-54.50000118.9
141G27.9Very low31.2Very low75 Ų75123.3 Ų123.377%0.77373%0.733SS**  trans-75.5-154179.800000117.3
142L28.4Very low31.9Very low171 Ų171120.1 Ų120.190%0.89572%0.718SS**  trans82.934.2-171.5-80.8169.5000118.1
143V29.1Very low32.3Very low134 Ų134118.6 Ų118.681%0.81270%0.698SS**SBendtrans-136159.8145.2-176.90000108.2
144T32Very low32.8Very low114 Ų114119.4 Ų119.470%0.69969%0.691SS**  trans76.266.8174.5-44.60000116.3
145L30.8Very low33.2Very low138 Ų138117.7 Ų117.772%0.72368%0.679SS**  trans-124.6-24.8167.6-93.5167.4000115.4T147 S149L145-T147 PolarHBondContact O-N 3.36Å; L145-S149 PolarHBondContact O-N 3.33Å
146A32.1Very low33.5Very low93 Ų93119.1 Ų119.177%0.76967%0.673SS**Hα-helixtrans-62.3-45.9-177.300000113.2
147T34.5Very low33.6Very low118 Ų118117.9 Ų117.972%0.72466%0.657SS**Hα-helixtrans-74.5-32.2-177.6-36.60000112.8L145L145-T147 PolarHBondContact O-N 3.36Å
148A29Very low34.1Very low36 Ų36113 Ų11330%0.29864%0.644SS.*Hα-helixtrans-68.3-35.8-177.800000112.6S150 L151 I152A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 3.43Å; A148-L151 PolarHBondContact O-N 2.98Å; A148-I152 WeakPolarHBondContact O-CG1 3.4Å; A148-I152 PolarHBondContact O-N 3.1Å; A148-I152 VanDerWaalsContact O-N 3.09Å
149S30Very low34.4Very low67 Ų67112.1 Ų112.147%0.46963%0.633SS.*Hα-helixtrans-57.5-43.2-178-157.40000112.3L145 L151 E153L145-S149 PolarHBondContact O-N 3.33Å; S149-L151 PolarHBondContact O-N 3.05Å; S149-E153 VanDerWaalsContact O-CB 3.28Å; S149-E153 WeakPolarHBondContact O-CB 3.42Å; S149-E153 PolarHBondContact O-N 3.36Å
150S37Very low34.7Very low75 Ų75109.4 Ų109.452%0.52462%0.617SS.*Hα-helixtrans-68.8-34.3-178.1-171.30000113.3A148 K154A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 3.43Å; S150-K154 PolarHBondContact O-N 3.47Å
151L39.3Very low34.7Very low131 Ų131107.6 Ų107.669%0.68661%0.605SS**Hα-helixtrans-74.3-45179.7-171.760.8000111.2A148 S149 E153 K154 E155A148-L151 PolarHBondContact O-N 2.98Å; S149-L151 PolarHBondContact O-N 3.05Å; L151-E153 VanDerWaalsContact C-N 3.3Å; L151-E153 PolarHBondContact O-N 3.31Å; L151-K154 PolarHBondContact O-N 3.05Å; L151-E155 PolarHBondContact O-N 3.2Å
152I41.8Very low35.2Very low93 Ų93108.9 Ų108.948%0.47760%0.597SS.*Hα-helixtrans-62.9-37.8175.5-68171.9000110.7A148 K154 E155 W156A148-I152 WeakPolarHBondContact O-CG1 3.4Å; A148-I152 PolarHBondContact O-N 3.1Å; A148-I152 VanDerWaalsContact O-N 3.09Å; I152-K154 PolarHBondContact O-N 2.93Å; I152-E155 PolarHBondContact O-N 3.33Å; I152-W156 WeakPolarHBondContact O-CB 3.33Å; I152-W156 PolarHBondContact O-N 3.33Å
153E38Very low35.6Very low81 Ų81105.3 Ų105.338%0.37958%0.582SS.*Hα-helixtrans-67.7-30.1175.2-97.1-163.1-115.200114.7S149 L151 R157S149-E153 VanDerWaalsContact O-CB 3.28Å; S149-E153 WeakPolarHBondContact O-CB 3.42Å; S149-E153 PolarHBondContact O-N 3.36Å; L151-E153 VanDerWaalsContact C-N 3.3Å; L151-E153 PolarHBondContact O-N 3.31Å; E153-R157 WeakPolarHBondContact O-CG 3.33Å; E153-R157 PolarHBondContact O-N 3.37Å; E153-R157 PolarHBondContact O-NH1 3.02Å; E153-R157 IonicContact OE2-CZ 2.89Å; E153-R157 VanDerWaalsContact OE2-CZ 3.23Å; E153-R157 IonicContact OE2-NH1 3.23Å; E153-R157 PolarHBondContact OE2-NH1 3.09Å; E153-R157 IonicContact OE2-NH2 3.38Å; E153-R157 PolarHBondContact OE2-NH2 2.82Å
154K39.9Very low35.8Very low155 Ų155106 Ų10667%0.67458%0.581SS**Hα-helixtrans-74.6-42.6171.5-85.3-174.4171.2-177.60111.3S150 L151 I152 R157 A158S150-K154 PolarHBondContact O-N 3.47Å; L151-K154 PolarHBondContact O-N 3.05Å; I152-K154 PolarHBondContact O-N 2.93Å; K154-R157 PolarHBondContact O-N 3.32Å; K154-A158 WeakPolarHBondContact O-CB 3.49Å; K154-A158 PolarHBondContact O-N 3.5Å; K154-A158 VanDerWaalsContact O-N 3.07Å
155E38.6Very low35.9Very low90 Ų90105.1 Ų105.142%0.42158%0.58SS.*Hα-helixtrans-64.3-44.2177.9-156.7-152.4150.300111.9L151 I152 A158 R159L151-E155 PolarHBondContact O-N 3.2Å; I152-E155 PolarHBondContact O-N 3.33Å; E155-A158 PolarHBondContact O-N 2.95Å; E155-R159 HydrophobicContact CG-CG 4.49Å; E155-R159 WeakPolarHBondContact O-CB 3.35Å; E155-R159 WeakPolarHBondContact O-CG 3.48Å; E155-R159 PolarHBondContact O-N 3Å; E155-R159 WeakPolarHBondContact OE1-CD 3.29Å; E155-R159 IonicContact OE1-CZ 2.72Å; E155-R159 IonicContact OE1-NE 3.59Å; E155-R159 IonicContact OE1-NH1 3.27Å; E155-R159 PolarHBondContact OE1-NH1 3.44Å
156W34.6Very low35.9Very low183 Ų183104.5 Ų104.569%0.69358%0.578SS**Hα-helixtrans-65.6-39.3177.8-94.182.2000113.1I152 R159 A160I152-W156 WeakPolarHBondContact O-CB 3.33Å; I152-W156 PolarHBondContact O-N 3.33Å; W156-R159 PolarHBondContact O-N 3.35Å; W156-A160 WeakPolarHBondContact O-CB 3.45Å; W156-A160 PolarHBondContact O-N 3.25Å
157R37.4Very low35.8Very low151 Ų151107.1 Ų107.157%0.5758%0.578SS**Hα-helixtrans-64.5-41.8174-75.4-174.5-173.383.5-5.8111.7E153 K154 S161E153-R157 WeakPolarHBondContact O-CG 3.33Å; E153-R157 PolarHBondContact O-N 3.37Å; E153-R157 PolarHBondContact O-NH1 3.02Å; E153-R157 IonicContact OE2-CZ 2.89Å; E153-R157 VanDerWaalsContact OE2-CZ 3.23Å; E153-R157 IonicContact OE2-NH1 3.23Å; E153-R157 PolarHBondContact OE2-NH1 3.09Å; E153-R157 IonicContact OE2-NH2 3.38Å; E153-R157 PolarHBondContact OE2-NH2 2.82Å; K154-R157 PolarHBondContact O-N 3.32Å; R157-S161 WeakPolarHBondContact O-CB 3.35Å; R157-S161 PolarHBondContact O-N 2.92Å; R157-S161 VanDerWaalsContact O-N 3.09Å
158A41.7Very low35.5Very low58 Ų58110.9 Ų110.948%0.47959%0.588SS.*Hα-helixtrans-63.3-44.5175.500000112.3K154 E155 S161 V162K154-A158 WeakPolarHBondContact O-CB 3.49Å; K154-A158 PolarHBondContact O-N 3.5Å; K154-A158 VanDerWaalsContact O-N 3.07Å; E155-A158 PolarHBondContact O-N 2.95Å; A158-S161 PolarHBondContact O-N 3.4Å; A158-V162 WeakPolarHBondContact O-CG2 3.44Å; A158-V162 PolarHBondContact O-N 2.89Å
159R34.4Very low35.6Very low158 Ų158114.2 Ų114.260%0.59661%0.609SS**Hα-helixtrans-74.8-36.6-178.3-68.5176.470168.82.5112.7E155 W156 S161 V162 V163E155-R159 HydrophobicContact CG-CG 4.49Å; E155-R159 WeakPolarHBondContact O-CB 3.35Å; E155-R159 WeakPolarHBondContact O-CG 3.48Å; E155-R159 PolarHBondContact O-N 3Å; E155-R159 WeakPolarHBondContact OE1-CD 3.29Å; E155-R159 IonicContact OE1-CZ 2.72Å; E155-R159 IonicContact OE1-NE 3.59Å; E155-R159 IonicContact OE1-NH1 3.27Å; E155-R159 PolarHBondContact OE1-NH1 3.44Å; W156-R159 PolarHBondContact O-N 3.35Å; R159-S161 VanDerWaalsContact C-N 3.33Å; R159-S161 PolarHBondContact O-N 3.37Å; R159-V162 PolarHBondContact O-N 3.38Å; R159-V163 WeakPolarHBondContact O-CG2 3.48Å; R159-V163 PolarHBondContact O-N 2.88Å
160A37.5Very low35.8Very low53 Ų53117.4 Ų117.444%0.43863%0.625SS.*Hα-helixtrans-61.7-42171.600000111.5W156 V162 V163 N164W156-A160 WeakPolarHBondContact O-CB 3.45Å; W156-A160 PolarHBondContact O-N 3.25Å; A160-V162 PolarHBondContact O-N 2.88Å; A160-V163 PolarHBondContact O-N 2.88Å; A160-N164 WeakPolarHBondContact O-CB 3.28Å; A160-N164 PolarHBondContact O-N 2.89Å
161S35.5Very low35.3Very low86 Ų86121.1 Ų121.160%0.60164%0.639SS**Hα-helixtrans-60.4-28.3175.6-171.30000113.8R157 A158 R159R157-S161 WeakPolarHBondContact O-CB 3.35Å; R157-S161 PolarHBondContact O-N 2.92Å; R157-S161 VanDerWaalsContact O-N 3.09Å; A158-S161 PolarHBondContact O-N 3.4Å; R159-S161 VanDerWaalsContact C-N 3.33Å; R159-S161 PolarHBondContact O-N 3.37Å
162V38.3Very low34.8Very low102 Ų102122.1 Ų122.162%0.61865%0.645SS**Hα-helixtrans-90.5-27.5179.3173.30000112.4A158 R159 A160 N166A158-V162 WeakPolarHBondContact O-CG2 3.44Å; A158-V162 PolarHBondContact O-N 2.89Å; R159-V162 PolarHBondContact O-N 3.38Å; A160-V162 PolarHBondContact O-N 2.88Å; V162-N166 PolarHBondContact O-ND2 3.26Å
163V35.9Very low34.4Very low96 Ų96124 Ų12458%0.58266%0.661SS**Hα-helixtrans-78.9-32.3176.9171.30000112R159 A160 S165R159-V163 WeakPolarHBondContact O-CG2 3.48Å; R159-V163 PolarHBondContact O-N 2.88Å; A160-V163 PolarHBondContact O-N 2.88Å; V163-S165 PolarHBondContact O-N 3.42Å
164N33.1Very low34Very low147 Ų147127.7 Ų127.779%0.78668%0.676SS**THydrogen-bonded Turntrans-80.722.2-174.5-150.859.7000115.1A160A160-N164 WeakPolarHBondContact O-CB 3.28Å; A160-N164 PolarHBondContact O-N 2.89Å
165S33.6Very low33.4Very low97 Ų97127 Ų12768%0.67868%0.675SS**THydrogen-bonded Turntrans-130.17.3179-54.20000114.1V163V163-S165 PolarHBondContact O-N 3.42Å
166N31.8Very low33Very low125 Ų125130.9 Ų130.967%0.66869%0.693SS**SBendtrans-127.310.1-167.8-73.7-60.6000115.2V162V162-N166 PolarHBondContact O-ND2 3.26Å
167N28.9Very low33Very low147 Ų147126.4 Ų126.479%0.78670%0.695SS**  trans-133.929.7-169-91-33.8000115.5
168E29.7Very low32.4Very low198 Ų198126.6 Ų126.693%0.92570%0.702SS**  trans-111.551.4174.6-154.3177.6-17000113
169S30.9Very low31.9Very low105 Ų105128 Ų12873%0.73471%0.705SS**SBendtrans-153.6149.4164.875.50000113.6
170V33.3Very low31.7Very low134 Ų134122.9 Ų122.981%0.81269%0.691SS**  trans63.885.5168.5-163.70000117
171N27Very low31.1Very low153 Ų153127 Ų12782%0.81871%0.705SS**  trans-70.1127149-70-68.6000109.8
172N28.4Very low30.8Very low153 Ų153127.8 Ų127.882%0.81871%0.706SS**  trans168.8161.6137.1-89.4-40.7000113.3
173V34.5Very low30.3Very low133 Ų133129.4 Ų129.481%0.80672%0.716SS**  trans70.570.8168.6-157.10000118.2
174K28.8Very low29.9Very low158 Ų158132 Ų13269%0.68772%0.722SS**  29.5127.7112.8-178.5174.3173172.70120.1
175E27.6Very low29.7Very low139 Ų139131.5 Ų131.565%0.6572%0.715SS**  trans61.4131161.4-73.3162.7-169.700116.1
176H31.1Very low29.5Very low172 Ų172134.8 Ų134.880%0.79672%0.719SS**  cis-162.3165.440.3-121-64.6000113.1
177A32.7Very low29.4Very low89 Ų89133.3 Ų133.374%0.73671%0.714SS**  trans67.1116.4150.800000120.4
178E26.4Very low29.4Very low156 Ų156133.1 Ų133.173%0.72971%0.714SS**  trans-71150.2159.1-54156.2112.700110.5I27I27-E178 HydrophobicContact CD1-CB 4.11Å
179T30.9Very low29.5Very low88 Ų88131.1 Ų131.154%0.5471%0.708SS.*  trans-175.2121.5130.2170000116.7T25 V26 I27T25-T179 HydrophobicContact CG2-CG2 3.7Å; V26-T179 VanDerWaalsContact O-CG2 3.24Å; V26-T179 WeakPolarHBondContact O-CG2 3.38Å; I27-T179 HydrophobicContact CD1-CG2 4.05Å
180T29.9Very low29.4Very low50 Ų50133.1 Ų133.131%0.30771%0.71SS.*  trans81.3142.9138.5-37.20000122.7L24 T25 V26L24-T180 HydrophobicContact CB-CG2 3.71Å; L24-T180 HydrophobicContact CD2-CG2 3.89Å; L24-T180 HydrophobicContact CG-CG2 3.7Å; T25-T180 WeakPolarHBondContact CA-OG1 3.18Å; V26-T180 HydrophobicContact CB-CG2 4.15Å; V26-T180 HydrophobicContact CG2-CG2 3.74Å; V26-T180 PolarHBondContact N-OG1 2.97Å
181L25.1Very low29.1Very low139 Ų139133.4 Ų133.473%0.72871%0.712SS**  trans-82142.5176.7-53.4115.9000114.4L24L24-L181 VanDerWaalsContact CD2-O 3.25Å; L24-L181 WeakPolarHBondContact CD2-O 3.38Å; L24-L181 WeakPolarHBondContact CG-O 3.44Å
182T29.6Very low29.1Very low102 Ų102130.8 Ų130.863%0.62671%0.706SS**  trans-139.2140.2133.53.50000111.3L24L24-T182 HydrophobicContact CD1-CG2 3.83Å; L24-T182 WeakPolarHBondContact CD2-OG1 3.35Å
183V26.3Very low29Very low136 Ų136129.6 Ų129.682%0.82470%0.704SS**  trans-95.6117.1158175.10000106
184Q28.7Very low28.8Very low152 Ų152130.3 Ų130.371%0.7170%0.702SS**  trans-118.8126171.1-170.46416.200109.5
185H28.9Very low28.9Very low136 Ų136129.7 Ų129.763%0.6370%0.702SS**  trans-94.8114.1-174-167.8-79.8000109.8
186H30.1Very low29Very low166 Ų166126.2 Ų126.277%0.76970%0.703SS**  trans-146.496169.3-98.1-72.6000111.3
187T29.6Very low28.9Very low93 Ų93124.5 Ų124.557%0.57170%0.7SS**  trans-74.1161157.1-12.20000110
188D27.4Very low29Very low144 Ų144127.5 Ų127.577%0.7770%0.702SS**  trans57103.5161.5-53.5-36.5000118.6
189L31.5Very low29.2Very low156 Ų156125.9 Ų125.982%0.81770%0.698SS**  trans-164.5112.9142.1-101.5162.5000109.8
190L30.8Very low29.2Very low147 Ų147130.6 Ų130.677%0.7771%0.706SS**  trans48.7113.3151.3-47.3176.3000117.7
191T25.7Very low29.2Very low139 Ų139134.5 Ų134.585%0.85373%0.725SS**  46.179.155.4-44.80000114.3
192S27.3Very low29.6Very low99 Ų99136.6 Ų136.669%0.69273%0.731SS**  trans159.1144.8131.6179.70000111.8
193T27.4Very low29.6Very low128 Ų128138.6 Ų138.679%0.78573%0.734SS**  trans65.5137.3166.911.20000114
194I29.4Very low29.8Very low147 Ų147140.6 Ų140.675%0.75473%0.731SS**  cis-138.8134.414.8-58.8170.2000105.2
195Q31.2Very low29.8Very low145 Ų145137.8 Ų137.868%0.67873%0.734SS**  -167118.376.4173.865.410.400110.1N197Q195-N197 PolarHBondContact NE2-OD1 3.46Å
196G30.3Very low30.2Very low66 Ų66140 Ų14068%0.6875%0.749SS**  trans-110.5117.8169.200000110.7I198G196-I198 PolarHBondContact O-N 2.87Å
197N28.7Very low30Very low136 Ų136139.6 Ų139.673%0.72775%0.753SS**  trans-83.199.5175.4-77.9-2.8000111.1Q195Q195-N197 PolarHBondContact NE2-OD1 3.46Å
198I33.4Very low30.1Very low152 Ų152138.3 Ų138.378%0.77976%0.759SS**  trans-141.5102156.3-64.492000110.1G196G196-I198 PolarHBondContact O-N 2.87Å
199D31.3Very low30.1Very low123 Ų123137 Ų13766%0.65876%0.76SS**  trans169.7140.8145.9-104.1-21.5000108
200R31.2Very low30.2Very low187 Ų187135.2 Ų135.271%0.70676%0.758SS**  cis-164.4151.4-16.4-145.5179.2-163.5118.8-12.9109.2
201N30.6Very low30.2Very low131 Ų131133.6 Ų133.670%0.70176%0.757SS**  trans72.9133.3163.3-50.4-46.1000119.6
202Q33.6Very low30.2Very low184 Ų184135 Ų13586%0.8676%0.758SS**  trans67.1147.9161.6-58.9175.4110.900119.7
203Q28.6Very low30.4Very low144 Ų144136.4 Ų136.467%0.67376%0.762SS**  cis-173.3153.9-39.3-169.5160.6-47.300106.4
204F31Very low30.2Very low177 Ų177137.9 Ų137.978%0.77676%0.764SS**  trans68.5103.2-175.2-51.9-78.7000112.2
205A28.6Very low30.1Very low93 Ų93134.5 Ų134.577%0.76977%0.765SS**  73.6104.85400000113.8
206L36Very low29.7Very low182 Ų182132 Ų13295%0.95377%0.769SS**  trans-151.7147.5136.3-107.9169.1000108.2
207D27.2Very low29.6Very low158 Ų158137 Ų13785%0.84578%0.78SS**  trans-112.1152.1-173.4-174.213.2000109.7
208G31.4Very low29.2Very low67 Ų67138.2 Ų138.269%0.69179%0.786SS**  trans159.2123.7-17900000115.3
209S27Very low29Very low115 Ų115137 Ų13780%0.80479%0.786SS**  trans-96.5-174.2173.4-56.60000111
210P34.5Very low28.7Very low119 Ų119136.5 Ų136.577%0.77379%0.792SS**  trans-91.7174.5-138.340-43000115.8
211P30.2Very low28.5Very low113 Ų113133.5 Ų133.573%0.73480%0.797SS**  trans-114.2135.315335.5-24.9000113.2
212L24.6Very low28.4Very low168 Ų168133.2 Ų133.288%0.8881%0.805SS**  trans-71.4138.9156.9-83.2152.9000109.5
213V32Very low27.9Very low130 Ų130134 Ų13479%0.78881%0.809SS**  trans-133.3111.6165.1-177.70000109.3
214I23.6Very low27.9Very low158 Ų158132.5 Ų132.581%0.8181%0.814SS**  trans-89.2124.9172-63.6171.2000107.8
215G26.8Very low27.6Very low76 Ų76131.6 Ų131.678%0.78482%0.817SS**  trans-123.375.9-178.900000112.4
216A22.4Very low27.4Very low93 Ų93134 Ų13477%0.76982%0.816SS**  trans-83.8116.5173.100000110.6
217L28Very low27Very low172 Ų172132 Ų13290%0.90181%0.806SS**  trans-123.7133.9165.8-78.2174.1000109.5
218N22.1Very low27Very low161 Ų161134.3 Ų134.386%0.86181%0.812SS**  trans-120.8103.4-162.3-179.718000109.9
219T28Very low27Very low127 Ų127135.8 Ų135.878%0.77981%0.812SS**  trans-140.687.1-176.6560000113.7
220S25.2Very low27.1Very low111 Ų111136 Ų13678%0.77681%0.808SS**  trans62.8133.5144.6-550000121.1
221P27.6Very low26.8Very low124 Ų124134.8 Ų134.881%0.80580%0.8SS**  trans-84.9157.7176.735.6-35.6000113.6
222S27.5Very low26.6Very low126 Ų126133.1 Ų133.188%0.88179%0.788SS**  trans-153.5156.3165.8-79.10000111.7
223Q23.8Very low27Very low199 Ų199129.4 Ų129.493%0.9377%0.773SS**  trans-92.2129.3-155.4-60.8166.9-16.500115.9
224S28.1Very low26.9Very low114 Ų114131.9 Ų131.980%0.79777%0.768SS**  trans-173.399.6148.952.40000107.4
225L24.8Very low27.6Very low158 Ų158125.8 Ų125.883%0.82774%0.741SS**  68.3117.758.2-154.784.5000113.8
226L25.3Very low28.2Very low144 Ų144126 Ų12675%0.75473%0.727SS**  trans91.1115.1171.2-52.9-177000119.1
227N26.5Very low29.2Very low140 Ų140123 Ų12375%0.74970%0.698SS**  trans65.488.6146.5-58.94.9000120.1
228E27.4Very low30.4Very low205 Ų205118.6 Ų118.696%0.95868%0.675SS**  trans-104.2116.5141.9-166.9178.8147.200108.1
229S31.3Very low31.6Very low99 Ų99114 Ų11469%0.69265%0.653SS**  trans-105.7139.2-169.7-64.10000112.4
230T29.2Very low33Very low119 Ų119114.8 Ų114.873%0.7365%0.647SS**  trans-60153176.142.30000113V232T230-V232 PolarHBondContact O-N 2.76Å
231P27.8Very low34.5Very low93 Ų93111 Ų11160%0.60462%0.621SS**  trans-69.1114.1-174.527.1-34.7000112S394P231-S394 PolarHBondContact O-OG 3.43Å
232V26.8Very low36.2Very low78 Ų78105.5 Ų105.547%0.47359%0.585SS.*  trans-95.8115.7-179.6177.40000111.2T230 R234 L391T230-V232 PolarHBondContact O-N 2.76Å; V232-R234 PolarHBondContact O-N 2.99Å; V232-L391 HydrophobicContact CG1-CB 4.01Å; V232-L391 HydrophobicContact CG1-CD2 3.79Å; V232-L391 HydrophobicContact CG1-CG 3.64Å
233T32.3Very low37.6Very low91 Ų91100.5 Ų100.556%0.55855%0.551SS**EExtended strand (participates in β ladder)trans-74.2121.5169.3-46.30000110.8A235T233-A235 PolarHBondContact O-N 3.07Å
234R30.7Very low39.3Very low182 Ų18293 Ų9369%0.68752%0.523SS*.EExtended strand (participates in β ladder)trans-81.2108.7177.5-64.2-179.871.2118.5-0.4110.7V232V232-R234 PolarHBondContact O-N 2.99Å
235A38.1Very low40.9Very low29 Ų2988.8 Ų88.824%0.2449%0.49CS..EExtended strand (participates in β ladder)trans-93.6129.317300000111.3T233 V392T233-A235 PolarHBondContact O-N 3.07Å; A235-V392 HydrophobicContact CB-CG2 4.02Å
236V39.3Very low42.7Very low82 Ų8282 Ų8250%0.49746%0.455SS..EExtended strand (participates in β ladder)trans-101.3110.3169.6-179.70000108Y389V236-Y389 HydrophobicContact CG2-CD1 4.41Å; V236-Y389 HydrophobicContact CG2-CE1 4.16Å
237L44.1Very low44.4Very low30 Ų3081.8 Ų81.816%0.15744%0.444CS..  trans-104.4115.3-177.8-65.6177.6000111L242L237-L242 HydrophobicContact CB-CB 4.36Å; L237-L242 HydrophobicContact CD1-CD1 4.35Å
238N52Low46Very low78 Ų7878.2 Ų78.242%0.41742%0.423SS..  trans-52.9143.6161167.6-1.9000109.7Q240 S241 L242N238-Q240 PolarHBondContact ND2-OE1 2.95Å; N238-Q240 PolarHBondContact O-N 3.14Å; N238-Q240 PolarHBondContact OD1-N 3.3Å; N238-S241 PolarHBondContact N-OG 3.47Å; N238-S241 PolarHBondContact O-N 3.42Å; N238-S241 PolarHBondContact O-OG 2.88Å; N238-L242 PolarHBondContact O-N 2.86Å
239V47.9Very low47.3Very low65 Ų6570.2 Ų70.239%0.39439%0.388SS..Hα-helixtrans-40.7-40.7171.3-175.30000112.7A243 F367 L377V239-A243 VanDerWaalsContact O-CB 3.25Å; V239-A243 WeakPolarHBondContact O-CB 3.36Å; V239-A243 PolarHBondContact O-N 3.48Å; V239-F367 HydrophobicContact CG1-CE1 4.25Å; V239-F367 HydrophobicContact CG1-CZ 4.28Å; V239-L377 HydrophobicContact CG1-CD1 4.48Å; V239-L377 HydrophobicContact CG2-CD1 3.9Å; V239-L377 HydrophobicContact CG2-CD2 4.36Å
240Q57.5Low48.4Very low143 Ų14368.7 Ų68.767%0.66837%0.37SS*.Hα-helixtrans-70.4-40.2179.8-66.2162.1-28.200112.9N238 A244N238-Q240 PolarHBondContact ND2-OE1 2.95Å; N238-Q240 PolarHBondContact O-N 3.14Å; N238-Q240 PolarHBondContact OD1-N 3.3Å; Q240-A244 WeakPolarHBondContact O-CB 3.22Å; Q240-A244 PolarHBondContact O-N 3.42Å
241S56.7Low49.6Very low31 Ų3168.1 Ų68.122%0.21736%0.357CS..Hα-helixtrans-76.7-32176490000112.3N238 A244 F245N238-S241 PolarHBondContact N-OG 3.47Å; N238-S241 PolarHBondContact O-N 3.42Å; N238-S241 PolarHBondContact O-OG 2.88Å; S241-A244 PolarHBondContact O-N 2.96Å; S241-F245 WeakPolarHBondContact O-CB 3.33Å; S241-F245 PolarHBondContact O-N 3.3Å
242L64.2Low50.4Low10 Ų1069.1 Ų69.15%0.05235%0.354CS..Hα-helixtrans-63.6-45.4168.9-17861.2000111.3L237 N238 A244 F245 I246 F367 L388 L390L237-L242 HydrophobicContact CB-CB 4.36Å; L237-L242 HydrophobicContact CD1-CD1 4.35Å; N238-L242 PolarHBondContact O-N 2.86Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.22Å; L242-F245 PolarHBondContact O-N 2.93Å; L242-I246 HydrophobicContact CD1-CD1 4.07Å; L242-I246 HydrophobicContact CD1-CG1 4.34Å; L242-I246 HydrophobicContact CG-CD1 3.98Å; L242-I246 WeakPolarHBondContact O-CG1 3.33Å; L242-I246 PolarHBondContact O-N 3.22Å; L242-F367 HydrophobicContact CD2-CE2 4.04Å; L242-F367 HydrophobicContact CD2-CZ 4.03Å; L242-F367 HydrophobicContact CG-CZ 4.41Å; L242-L388 HydrophobicContact CD2-CD1 4.23Å; L242-L390 HydrophobicContact CD1-CD2 4.24Å
243A56Low50.9Low20 Ų2070 Ų7017%0.16536%0.363CS..Hα-helixtrans-67.3-25.817500000113.3V239 R247 F367V239-A243 VanDerWaalsContact O-CB 3.25Å; V239-A243 WeakPolarHBondContact O-CB 3.36Å; V239-A243 PolarHBondContact O-N 3.48Å; A243-R247 PolarHBondContact O-NE 2.99Å; A243-R247 PolarHBondContact O-NH2 3.36Å; A243-F367 HydrophobicContact CB-CD1 4.33Å; A243-F367 HydrophobicContact CB-CE1 3.98Å
244A59.3Low51.2Low42 Ų4270 Ų7035%0.34737%0.366SS..Hα-helixtrans-72.1-48.4169.800000110.8Q240 S241 L242 I246 R247 E248Q240-A244 WeakPolarHBondContact O-CB 3.22Å; Q240-A244 PolarHBondContact O-N 3.42Å; S241-A244 PolarHBondContact O-N 2.96Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.22Å; A244-I246 PolarHBondContact O-N 2.92Å; A244-R247 PolarHBondContact O-N 3.48Å; A244-E248 PolarHBondContact O-N 2.91Å; A244-E248 VanDerWaalsContact O-N 3.09Å
245F62.7Low51.6Low25 Ų2567.3 Ų67.311%0.1136%0.364CS..Hα-helixtrans-56.2-48.5178177.7-90.8000112.6S241 L242 R247 E248 T249 I343 L345S241-F245 WeakPolarHBondContact O-CB 3.33Å; S241-F245 PolarHBondContact O-N 3.3Å; L242-F245 PolarHBondContact O-N 2.93Å; F245-R247 VanDerWaalsContact C-N 3.31Å; F245-R247 PolarHBondContact O-N 3.06Å; F245-E248 PolarHBondContact O-N 2.92Å; F245-E248 VanDerWaalsContact O-N 3.11Å; F245-T249 HydrophobicContact CD1-CG2 4.26Å; F245-T249 HydrophobicContact CE1-CG2 3.73Å; F245-T249 HydrophobicContact CE2-CG2 4.25Å; F245-T249 HydrophobicContact CZ-CG2 3.73Å; F245-T249 PolarHBondContact O-N 3.17Å; F245-T249 PolarHBondContact O-OG1 3.17Å; F245-I343 HydrophobicContact CE2-CD1 4.24Å; F245-I343 HydrophobicContact CZ-CD1 3.79Å; F245-I343 HydrophobicContact CZ-CG2 4.23Å; F245-L345 HydrophobicContact CE1-CD1 4.13Å; F245-L345 HydrophobicContact CE1-CD2 4.48Å
246I61.6Low51.4Low17 Ų1770 Ų709%0.08738%0.381CS..Hα-helixtrans-62.1-36.6179.5-67167.8000111.9L242 A244 E248 T249 Q250 F367L242-I246 HydrophobicContact CD1-CD1 4.07Å; L242-I246 HydrophobicContact CD1-CG1 4.34Å; L242-I246 HydrophobicContact CG-CD1 3.98Å; L242-I246 WeakPolarHBondContact O-CG1 3.33Å; L242-I246 PolarHBondContact O-N 3.22Å; A244-I246 PolarHBondContact O-N 2.92Å; I246-E248 VanDerWaalsContact C-N 3.35Å; I246-T249 PolarHBondContact O-OG1 2.87Å; I246-T249 VanDerWaalsContact O-OG1 3.09Å; I246-Q250 HydrophobicContact CG2-CG 4.46Å; I246-Q250 WeakPolarHBondContact O-CB 3.19Å; I246-Q250 VanDerWaalsContact O-CG 3.27Å; I246-Q250 WeakPolarHBondContact O-CG 3.27Å; I246-Q250 PolarHBondContact O-N 2.74Å; I246-F367 HydrophobicContact CD1-CD2 4.3Å
247R60.7Low50.9Low138 Ų13870.9 Ų70.952%0.52139%0.391SS..Hα-helixtrans-70.6-31.5176.1-80.2176.5-70.4-170.60.4112.6A243 A244 F245 K251A243-R247 PolarHBondContact O-NE 2.99Å; A243-R247 PolarHBondContact O-NH2 3.36Å; A244-R247 PolarHBondContact O-N 3.48Å; F245-R247 VanDerWaalsContact C-N 3.31Å; F245-R247 PolarHBondContact O-N 3.06Å; R247-K251 PolarHBondContact O-N 2.78Å; R247-K251 VanDerWaalsContact O-N 3.13Å
248E60.1Low50.2Low66 Ų6674.5 Ų74.531%0.30842%0.416SS..Hα-helixtrans-76.9-37.1176.1-155.259.4-141.600111.7A244 F245 I246 K251 Q252A244-E248 PolarHBondContact O-N 2.91Å; A244-E248 VanDerWaalsContact O-N 3.09Å; F245-E248 PolarHBondContact O-N 2.92Å; F245-E248 VanDerWaalsContact O-N 3.11Å; I246-E248 VanDerWaalsContact C-N 3.35Å; E248-K251 WeakPolarHBondContact O-CB 3.43Å; E248-K251 PolarHBondContact O-N 3.07Å; E248-K251 WeakPolarHBondContact OE1-CD 3.23Å; E248-K251 IonicContact OE1-NZ 3.29Å; E248-K251 PolarHBondContact OE1-NZ 2.92Å; E248-K251 WeakPolarHBondContact OE2-CD 3.37Å; E248-K251 IonicContact OE2-NZ 2.63Å; E248-K251 PolarHBondContact OE2-NZ 3.33Å; E248-Q252 WeakPolarHBondContact O-CG 3.43Å; E248-Q252 PolarHBondContact O-N 3Å; E248-Q252 VanDerWaalsContact O-N 3.15Å
249T56.1Low49Very low37 Ų3776.9 Ų76.923%0.22743%0.434CS..Hα-helixtrans-67-40172.4570000112.3F245 I246 K251 Q252 C253 I343F245-T249 HydrophobicContact CD1-CG2 4.26Å; F245-T249 HydrophobicContact CE1-CG2 3.73Å; F245-T249 HydrophobicContact CE2-CG2 4.25Å; F245-T249 HydrophobicContact CZ-CG2 3.73Å; F245-T249 PolarHBondContact O-N 3.17Å; F245-T249 PolarHBondContact O-OG1 3.17Å; I246-T249 PolarHBondContact O-OG1 2.87Å; I246-T249 VanDerWaalsContact O-OG1 3.09Å; T249-K251 VanDerWaalsContact C-N 3.33Å; T249-K251 PolarHBondContact O-N 3.36Å; T249-Q252 PolarHBondContact O-N 3.29Å; T249-C253 PolarHBondContact O-N 2.82Å; T249-C253 VanDerWaalsContact O-N 3.14Å; T249-C253 PolarHBondContact O-SG 3.15Å; T249-I343 HydrophobicContact CG2-CD1 4.2Å
250Q53.1Low48.3Very low66 Ų6680.6 Ų80.631%0.30846%0.457SS..Hα-helixtrans-62.9-35.5174-75.5176-15.100112.8I246 S254 V362I246-Q250 HydrophobicContact CG2-CG 4.46Å; I246-Q250 WeakPolarHBondContact O-CB 3.19Å; I246-Q250 VanDerWaalsContact O-CG 3.27Å; I246-Q250 WeakPolarHBondContact O-CG 3.27Å; I246-Q250 PolarHBondContact O-N 2.74Å; Q250-S254 WeakPolarHBondContact O-CB 3.26Å; Q250-S254 PolarHBondContact O-N 3.49Å; Q250-S254 VanDerWaalsContact O-N 3.1Å; Q250-S254 PolarHBondContact O-OG 2.91Å; Q250-V362 PolarHBondContact NE2-O 3.38Å; Q250-V362 VanDerWaalsContact NE2-O 3.09Å
251K55.5Low46.9Very low108 Ų10879.4 Ų79.447%0.4746%0.464SS..Hα-helixtrans-59.4-49.5169.6-101.4177.4173.8-179.80112.7R247 E248 T249 C253 S254 I255R247-K251 PolarHBondContact O-N 2.78Å; R247-K251 VanDerWaalsContact O-N 3.13Å; E248-K251 WeakPolarHBondContact O-CB 3.43Å; E248-K251 PolarHBondContact O-N 3.07Å; E248-K251 WeakPolarHBondContact OE1-CD 3.23Å; E248-K251 IonicContact OE1-NZ 3.29Å; E248-K251 PolarHBondContact OE1-NZ 2.92Å; E248-K251 WeakPolarHBondContact OE2-CD 3.37Å; E248-K251 IonicContact OE2-NZ 2.63Å; E248-K251 PolarHBondContact OE2-NZ 3.33Å; T249-K251 VanDerWaalsContact C-N 3.33Å; T249-K251 PolarHBondContact O-N 3.36Å; K251-C253 VanDerWaalsContact C-N 3.29Å; K251-C253 PolarHBondContact O-N 2.83Å; K251-S254 WeakPolarHBondContact O-CA 3.49Å; K251-S254 WeakPolarHBondContact O-CB 3.43Å; K251-S254 PolarHBondContact O-N 3.42Å; K251-I255 WeakPolarHBondContact O-CG1 3.43Å; K251-I255 PolarHBondContact O-N 3.06Å; K251-I255 VanDerWaalsContact O-N 3.1Å
252Q43.3Very low45.7Very low113 Ų11386.2 Ų86.253%0.52850%0.497SS..Hα-helixtrans-59.6-42.1-178.7-64-68.3-7.500111.1E248 T249 S254 I255 S256E248-Q252 WeakPolarHBondContact O-CG 3.43Å; E248-Q252 PolarHBondContact O-N 3Å; E248-Q252 VanDerWaalsContact O-N 3.15Å; T249-Q252 PolarHBondContact O-N 3.29Å; Q252-S254 VanDerWaalsContact C-N 3.27Å; Q252-S254 PolarHBondContact O-N 3.47Å; Q252-I255 PolarHBondContact O-N 2.88Å; Q252-S256 PolarHBondContact O-OG 3.11Å
253C37.2Very low44.3Very low97 Ų9793.1 Ų93.166%0.65553%0.528SS*.Hα-helixtrans-62.1-32.9173.1-65.20000113.1T249 K251T249-C253 PolarHBondContact O-N 2.82Å; T249-C253 VanDerWaalsContact O-N 3.14Å; T249-C253 PolarHBondContact O-SG 3.15Å; K251-C253 VanDerWaalsContact C-N 3.29Å; K251-C253 PolarHBondContact O-N 2.83Å
254S39.4Very low43Very low90 Ų9098.4 Ų98.463%0.62955%0.553SS**Hα-helixtrans-80.8-18.3-177.3-56.80000114.4Q250 K251 Q252Q250-S254 WeakPolarHBondContact O-CB 3.26Å; Q250-S254 PolarHBondContact O-N 3.49Å; Q250-S254 VanDerWaalsContact O-N 3.1Å; Q250-S254 PolarHBondContact O-OG 2.91Å; K251-S254 WeakPolarHBondContact O-CA 3.49Å; K251-S254 WeakPolarHBondContact O-CB 3.43Å; K251-S254 PolarHBondContact O-N 3.42Å; Q252-S254 VanDerWaalsContact C-N 3.27Å; Q252-S254 PolarHBondContact O-N 3.47Å
255I38.5Very low41.8Very low127 Ų127102.4 Ų102.465%0.65158%0.576SS**Hα-helixtrans-90.1-15.1179.8-69.2166.1000111.8K251 Q252 S257K251-I255 WeakPolarHBondContact O-CG1 3.43Å; K251-I255 PolarHBondContact O-N 3.06Å; K251-I255 VanDerWaalsContact O-N 3.1Å; Q252-I255 PolarHBondContact O-N 2.88Å; I255-S257 PolarHBondContact O-N 2.9Å
256S34.2Very low40.2Very low86 Ų86108.7 Ų108.760%0.60161%0.609SS**SBendtrans-91.529.8-167-57.30000115Q252Q252-S256 PolarHBondContact O-OG 3.11Å
257S28.3Very low38.8Very low100 Ų100114.7 Ų114.770%0.69965%0.647SS**  trans-143.678.1-172.651.20000116.9I255I255-S257 PolarHBondContact O-N 2.9Å
258P29.1Very low37.4Very low105 Ų105113.1 Ų113.168%0.68266%0.658SS**  trans-121.5156.3156.338.1-28.2000114
259T28.6Very low36.1Very low128 Ų128116.5 Ų116.579%0.78568%0.682SS**  trans63.9100.3164.359.60000120
260T33.3Very low34.7Very low144 Ų144123.6 Ų123.688%0.88371%0.71SS**  -136.3142.4126.544.20000108.8
261S26.1Very low33.9Very low117 Ų117126.4 Ų126.482%0.81873%0.734SS**  trans-134.9124.6-179.2-57.40000109.7
262I33Very low32.6Very low175 Ų175128.4 Ų128.490%0.89775%0.749SS**  trans-138.8148175.9-62.6-175.7000108.2
263E34.1Very low32.3Very low154 Ų154132 Ų13272%0.7277%0.766SS**  trans-87.8146.8-160.1-73-178.39100117.2
264L29.5Very low32.1Very low131 Ų131133 Ų13369%0.68677%0.769SS**  trans65.6165.9136.8-70.7172000119.5
265P34.2Very low31.6Very low126 Ų126136.8 Ų136.882%0.81878%0.777SS**  cis-117.8165.33.840.5-28.2000116.8
266L29Very low31.5Very low157 Ų157138 Ų13882%0.82279%0.79SS**  trans-93.2123.3-178.5-71.5165.7000113.8
267T31.5Very low31.3Very low144 Ų144141.7 Ų141.788%0.88380%0.796SS**  trans-148.1147.2140.857.20000105.8
268S30.8Very low31.6Very low105 Ų105144.8 Ų144.873%0.73480%0.804SS**  cis-160.1132.433.6164.40000112.4
269V33.7Very low31.8Very low136 Ų136144.4 Ų144.482%0.82480%0.8SS**  trans42.1126.7143.1-159.90000122.1
270F27.3Very low32.1Very low187 Ų187143.9 Ų143.982%0.8280%0.801SS**  trans-42.7172158.9-85.7-81.7000116.7
271P34.6Very low32.1Very low125 Ų125141.9 Ų141.981%0.81279%0.793SS**  cis-143.4173.134.442.1-21.3000120.2
272L28.7Very low32.3Very low150 Ų150141.4 Ų141.479%0.78579%0.788SS**  trans-75.5151.2170.6-171.474.5000111.7
273Q36.4Very low32.5Very low189 Ų189139.6 Ų139.688%0.88378%0.781SS**  trans-132.5162.7162-98.1-170.3-13.800112.3
274T32.9Very low32.3Very low117 Ų117138 Ų13872%0.71878%0.781SS**  trans-121.2152.7-15044.10000115.1
275E30Very low32.5Very low170 Ų170142.2 Ų142.279%0.79479%0.788SS**  trans44.1131150.8-63.9-157.8129.500121.5
276T35.4Very low32.5Very low152 Ų152143 Ų14393%0.93378%0.781SS**  trans-144.5151.1134.8-41.80000109.8
277K31.5Very low32.7Very low163 Ų163141.9 Ų141.971%0.70978%0.78SS**  trans-143.2122.5-158.8165.6-169.7171.2-175.80112.1
278L34.8Very low32.9Very low166 Ų166140.2 Ų140.287%0.86977%0.774SS**  trans-150.5145.9165.6-66.8175.5000108.6
279T31.8Very low32.9Very low97 Ų97140.2 Ų140.260%0.59577%0.774SS**  cis166.7150.1-43.734.70000106.9
280S35.3Very low33.1Very low116 Ų116138.6 Ų138.681%0.81177%0.766SS**  trans81.5145.8173.484.30000117.5
281S32.7Very low33.4Very low102 Ų102134.3 Ų134.371%0.71376%0.76SS**  cis-169.1150.1-19.3-101.60000112.2
282C32.2Very low33.5Very low108 Ų108138.2 Ų138.273%0.7376%0.76SS**  trans65.6153.9160.9-64.90000116.8
283N35.4Very low33.9Very low137 Ų137138.6 Ų138.673%0.73376%0.762SS**  cis-167.9161.8-7.3-105.5-8.2000108.1
284V30.6Very low33.8Very low121 Ų121136.6 Ų136.673%0.73376%0.756SS**  cis-171.2-177.5-26.890.40000107.9
285R34.8Very low34.1Very low218 Ų218136.5 Ų136.582%0.82376%0.758SS**  trans77.1142176.8-74.3-168.3168.9165.1-0.8117
286Q33.4Very low34.3Very low143 Ų143133 Ų13367%0.66875%0.752SS**  cis-169.1118.2-11.8177.9171.4-54.900113.2
287V32.6Very low34.4Very low133 Ų133130.3 Ų130.381%0.80675%0.745SS**  trans67142.3145176.20000117.7
288S35.3Very low34.7Very low109 Ų109127.2 Ų127.276%0.76274%0.744SS**  cis-152165.47.826.10000114
289S32.2Very low34.9Very low106 Ų106125.6 Ų125.674%0.74174%0.741SS**  trans-72.5-161.8166.5-22.30000112.9
290P38.4Very low35.3Very low101 Ų101125.7 Ų125.766%0.65674%0.744SS**  cis-132.2150.88.740.3-20.6000116.5
291S32.7Very low35.3Very low97 Ų97125 Ų12568%0.67874%0.739SS**  89.7172.377.8-47.20000117.1
292Y36.4Very low35.3Very low207 Ų207128.7 Ų128.781%0.81274%0.742SS**  trans79.2138.8-176.6-45.4-68.6000116.1
293L37.1Very low35.6Very low159 Ų159131 Ų13183%0.83275%0.746SS**  cis-156164.7-8.2-116.5169.6000111.6
294L34.8Very low35.9Very low146 Ų146129.2 Ų129.276%0.76474%0.743SS**  trans-125.8143.7175.7-166.393.5000109.4
295P39.5Very low36.1Very low116 Ų116132.2 Ų132.275%0.75375%0.751SS**  -155.1-170.4111.135.2-14.8000114.1
296S34Very low36.3Very low97 Ų97127.8 Ų127.868%0.67875%0.748SS**  -179.7148-60.963.40000111.2
297A37.9Very low36.7Very low94 Ų94126.9 Ų126.978%0.77775%0.754SS**  trans70.9162.5162.500000118
298S36.5Very low37Very low99 Ų99127 Ų12769%0.69276%0.755SS**  cis-157.31397.4-23.20000114.3
299T40Very low37.4Very low132 Ų132127.1 Ų127.181%0.8175%0.754SS**  44.4167.4129.662.20000124.4
300P40.4Very low37.6Very low99 Ų99130.5 Ų130.564%0.64376%0.758SS**  cis-146.6159.8-45.842.4-24.6000118
301S34.5Very low37.4Very low101 Ų101132.3 Ų132.371%0.70676%0.762SS**  trans51.2166.4133.6-560000127.3
302F33.4Very low37.4Very low180 Ų180135 Ų13579%0.78977%0.768SS**  trans80.7140.7164.6-52-92.7000118.7
303L38.1Very low37.3Very low155 Ų155130 Ų13081%0.81276%0.761SS**  cis-160.1171.3-21.6-102.7-175.9000109.8
304P41.5Very low36.9Very low101 Ų101128.4 Ų128.466%0.65676%0.758SS**  trans-112.7179.3-165.343.6-37.9000116.5
305M34.6Very low36.8Very low184 Ų184127.9 Ų127.991%0.90676%0.76SS**  trans-153.7156.8150.8-89.6-52.9151.600113.4
306T39.5Very low36.2Very low124 Ų124129.3 Ų129.376%0.76176%0.761SS**  trans-135.5155.117254.70000111.1
307P41.5Very low36.3Very low124 Ų124133.3 Ų133.381%0.80577%0.769SS**  -140.5147.1115.415.87000112.6
308V39Very low35.8Very low135 Ų135137 Ų13782%0.81877%0.77SS**  101.4137.750.3165.40000112.7
309P44Very low35.6Very low113 Ų113136.8 Ų136.873%0.73477%0.766SS**  trans-122.9-170-159.844.5-30.5000115.1
310Q36.5Very low35Very low177 Ų177137.2 Ų137.283%0.82776%0.763SS**  trans-167133.9161.1-112.1170.522.800117
311N33.5Very low34.6Very low139 Ų139139.7 Ų139.774%0.74377%0.765SS**  trans46159138.2-69.7-27000122.9
312L32.7Very low34.2Very low154 Ų154140.1 Ų140.181%0.80677%0.768SS**  cis-154.4162.65.4-157.762.2000111.2
313P34.5Very low33.9Very low102 Ų102140.3 Ų140.366%0.66277%0.772SS**  trans-126.9178.7-177.640.2-26.6000118.1
314T29Very low33.3Very low125 Ų125137.8 Ų137.877%0.76777%0.767SS**  trans95.9135.6153.2-29.50000120.1
315V32.2Very low32.5Very low134 Ų134139.4 Ų139.481%0.81278%0.775SS**  164.4155.5127.1159.40000113.3
316L27.9Very low32.1Very low147 Ų147134.6 Ų134.677%0.7776%0.764SS**  trans-61.6154-173-71.164000116.9
317E34.5Very low31.5Very low181 Ų181134.7 Ų134.785%0.84676%0.764SS**  -164.4168.2106.4-109.8-72.152.800112.6
318Q27.7Very low30.9Very low171 Ų171134.6 Ų134.680%0.79976%0.757SS**  trans-113.9-156.3-168-143-167.4200113.5
319P32.5Very low30.4Very low94 Ų94136.1 Ų136.161%0.6176%0.755SS**  trans-110.2166.6-131.337.9-22.2000115.8
320L28.7Very low29.7Very low142 Ų142138.8 Ų138.874%0.74376%0.763SS**  168.5160.8118.4-90.5169.3000114.6
321H30.6Very low29.4Very low150 Ų150137.2 Ų137.269%0.69477%0.765SS**  trans59.197.3157.3-61-47.8000122
322S27.3Very low29.4Very low110 Ų110138.4 Ų138.477%0.76977%0.766SS**  75.2143.1115.1-560000122.8
323E26.9Very low29.5Very low185 Ų185136 Ų13686%0.86476%0.76SS**  trans85.378.2150.6-147.4161.6149.400120.7
324S24.2Very low29.4Very low102 Ų102136.3 Ų136.371%0.71376%0.764SS**  98.8149.9120.6-152.20000121
325V25.8Very low29.7Very low135 Ų135135.6 Ų135.682%0.81876%0.762SS**  trans71.2135.3167.6-156.90000118.6
326A26Very low29.6Very low82 Ų82134.9 Ų134.968%0.67876%0.76SS**  trans85.9100.6157.300000122.3
327V27.3Very low29.8Very low126 Ų126135.7 Ų135.776%0.76476%0.763SS**  80.9143119.8172.40000120.5
328N28.2Very low29.4Very low122 Ų122134.7 Ų134.765%0.65276%0.759SS**  trans65.3106.4173.4-70.2-8.4000117.2
329H28.9Very low29.3Very low167 Ų167132.4 Ų132.477%0.77376%0.762SS**  82.5104.164.3-69.97000113.1
330N27.9Very low29Very low170 Ų170132.5 Ų132.591%0.90976%0.761SS**  trans-179.190.8136.5-92.9-24.2000109.3
331T31.6Very low28.8Very low143 Ų143129.6 Ų129.688%0.87776%0.757SS**PPolyproline II helixtrans-102.9121.2174.8-55.30000109.4
332H33.6Very low28.6Very low164 Ų164131.3 Ų131.376%0.75976%0.763SS**PPolyproline II helixtrans-63.9139.6178.7-168.8-73.1000111.2
333P33.9Very low29Very low104 Ų104129.6 Ų129.668%0.67574%0.744SS**PPolyproline II helixtrans-70.2136.3174.829.1-34.2000111.1
334S31.8Very low29.4Very low108 Ų108124.8 Ų124.876%0.75573%0.731SS**PPolyproline II helixtrans-87.8147.5171.7-60.40000110.8
335P35.3Very low30Very low111 Ų111121.5 Ų121.572%0.72171%0.706SS**PPolyproline II helixtrans-66.7156.7174.529.6-35.4000111.6I337P335-I337 PolarHBondContact O-N 3.08Å
336P31Very low30.8Very low118 Ų118121.1 Ų121.177%0.76670%0.695SS**PPolyproline II helixtrans-67.1127.8-178.227.5-34.5000111.5Q338P336-Q338 PolarHBondContact O-N 3.17Å; P336-Q338 VanDerWaalsContact O-N 3.17Å
337I31.3Very low31.4Very low164 Ų164118.6 Ų118.684%0.84167%0.671SS**  trans-71.7107.8171.8-60.7173.2000107.8P335P335-I337 PolarHBondContact O-N 3.08Å
338Q27.2Very low32Very low161 Ų161113.5 Ų113.575%0.75264%0.642SS**  trans-72.3131.7167.6-69.1-176.8-1400109.5P336 T340P336-Q338 PolarHBondContact O-N 3.17Å; P336-Q338 VanDerWaalsContact O-N 3.17Å; Q338-T340 VanDerWaalsContact C-N 3.3Å; Q338-T340 PolarHBondContact O-N 3.38Å
339S25Very low32.4Very low123 Ų123114.4 Ų114.486%0.8666%0.655SS**  trans-7577-179.3-60.60000112A341S339-A341 PolarHBondContact O-N 2.78Å; S339-A341 VanDerWaalsContact O-N 3.09Å
340T25.7Very low33Very low96 Ų96110.3 Ų110.359%0.58966%0.658SS**  trans-62109.6170.7-550000109.7Q338 F342Q338-T340 VanDerWaalsContact C-N 3.3Å; Q338-T340 PolarHBondContact O-N 3.38Å; T340-F342 HydrophobicContact CG2-CE2 4.48Å; T340-F342 VanDerWaalsContact O-CD2 3.29Å; T340-F342 WeakPolarHBondContact O-CD2 3.22Å; T340-F342 PolarHBondContact O-N 2.9Å
341A24.8Very low33.7Very low81 Ų81104.2 Ų104.267%0.66963%0.629SS**  trans-72.290.3-179.400000111.2S339 I343S339-A341 PolarHBondContact O-N 2.78Å; S339-A341 VanDerWaalsContact O-N 3.09Å; A341-I343 PolarHBondContact O-N 2.92Å; A341-I343 VanDerWaalsContact O-N 3.07Å
342F27.5Very low34.5Very low185 Ų185105.3 Ų105.381%0.81163%0.628SS**  trans-65105.3172.2-72.2-84.5000110.5T340 S344T340-F342 HydrophobicContact CG2-CE2 4.48Å; T340-F342 VanDerWaalsContact O-CD2 3.29Å; T340-F342 WeakPolarHBondContact O-CD2 3.22Å; T340-F342 PolarHBondContact O-N 2.9Å; F342-S344 PolarHBondContact O-N 3.47Å
343I34.3Very low35.5Very low74 Ų7499 Ų9938%0.37960%0.6SS.*  trans-72.595.2172.9-52.6176.9000108.5F245 T249 A341 L345F245-I343 HydrophobicContact CE2-CD1 4.24Å; F245-I343 HydrophobicContact CZ-CD1 3.79Å; F245-I343 HydrophobicContact CZ-CG2 4.23Å; T249-I343 HydrophobicContact CG2-CD1 4.2Å; A341-I343 PolarHBondContact O-N 2.92Å; A341-I343 VanDerWaalsContact O-N 3.07Å; I343-L345 HydrophobicContact CG2-CD2 3.87Å; I343-L345 HydrophobicContact CG2-CG 4.35Å; I343-L345 PolarHBondContact O-N 2.95Å
344S35.3Very low36.8Very low85 Ų8596 Ų9659%0.59458%0.582SS**  trans-7296.5177.4-171.20000110.8F342 Q346F342-S344 PolarHBondContact O-N 3.47Å; S344-Q346 PolarHBondContact O-N 2.91Å
345L37.8Very low37.9Very low33 Ų3395.1 Ų95.117%0.17357%0.573CS.*  trans-83.589.2175.9-62.6179.5000110.1F245 I343 P347 L358 L390F245-L345 HydrophobicContact CE1-CD1 4.13Å; F245-L345 HydrophobicContact CE1-CD2 4.48Å; I343-L345 HydrophobicContact CG2-CD2 3.87Å; I343-L345 HydrophobicContact CG2-CG 4.35Å; I343-L345 PolarHBondContact O-N 2.95Å; L345-P347 WeakPolarHBondContact O-CD 3.35Å; L345-L358 HydrophobicContact CB-CD2 3.86Å; L345-L358 VanDerWaalsContact O-CD2 3.3Å; L345-L358 WeakPolarHBondContact O-CD2 3.5Å; L345-L390 HydrophobicContact CB-CD2 4.3Å; L345-L390 HydrophobicContact CD1-CD2 3.97Å; L345-L390 HydrophobicContact CD2-CD2 4.03Å; L345-L390 HydrophobicContact CG-CD2 4.33Å
346Q42.6Very low39.3Very low127 Ų12793.7 Ų93.759%0.59357%0.566SS**PPolyproline II helixtrans-76.7127.8170.2-76.1-169.6-2800111.2S344S344-Q346 PolarHBondContact O-N 2.91Å
347P38.9Very low40.7Very low28 Ų2891.8 Ų91.818%0.18255%0.549CS..BIsolated β-bridgetrans-61134.2164.4-1830.5000110.1L345 I353 P355 L358L345-P347 WeakPolarHBondContact O-CD 3.35Å; P347-I353 HydrophobicContact CB-CG2 4.44Å; P347-I353 HydrophobicContact CG-CG2 4.4Å; P347-P355 HydrophobicContact CG-CG 4.31Å; P347-L358 HydrophobicContact CG-CD2 4.26Å
348A39.3Very low42.2Very low19 Ų1985.4 Ų85.416%0.15752%0.516CS..PPolyproline II helixtrans-63.5147.517500000111.5G350 S351 L391A348-G350 PolarHBondContact O-N 3.27Å; A348-S351 VanDerWaalsContact O-CB 3.28Å; A348-S351 WeakPolarHBondContact O-CB 3.46Å; A348-S351 PolarHBondContact O-N 3.07Å; A348-L391 HydrophobicContact CB-CD1 4.25Å
349P36.8Very low43.9Very low141 Ų14184.5 Ų84.592%0.91651%0.512SS*.THydrogen-bonded Turntrans-53.4125.2173.7-26.435000111.5
350G40.5Very low45.8Very low81 Ų8185 Ų8584%0.83550%0.501SS*.THydrogen-bonded Turntrans98.4-3.6-172.300000115.2A348A348-G350 PolarHBondContact O-N 3.27Å
351S43.4Very low47.4Very low43 Ų4382.3 Ų82.330%0.30148%0.483SS..  trans-70.9139.2166.8-165.30000111.2A348 I353A348-S351 VanDerWaalsContact O-CB 3.28Å; A348-S351 WeakPolarHBondContact O-CB 3.46Å; A348-S351 PolarHBondContact O-N 3.07Å; S351-I353 VanDerWaalsContact C-N 3.32Å
352L49.2Very low48.9Very low165 Ų16580.3 Ų80.386%0.86446%0.462SS*.SBendtrans-85.40.4-178.7-69175.7000114.2
353I54.3Low50.3Low32 Ų3275.7 Ų75.716%0.16446%0.458CS..SBendtrans-102.6129.9179.1-157.5161.7000109.4P347 S351 D357 L361 L376P347-I353 HydrophobicContact CB-CG2 4.44Å; P347-I353 HydrophobicContact CG-CG2 4.4Å; S351-I353 VanDerWaalsContact C-N 3.32Å; I353-D357 HydrophobicContact CD1-CB 4.43Å; I353-D357 HydrophobicContact CG1-CB 3.68Å; I353-L361 HydrophobicContact CD1-CD1 3.75Å; I353-L376 HydrophobicContact CD1-CD2 4Å
354S61.1Low51.2Low42 Ų4274.7 Ų74.729%0.29446%0.458SS..  trans-72.3157.1177.779.50000110.7S356 D357 L358S354-S356 PolarHBondContact O-N 3.36Å; S354-S356 PolarHBondContact OG-N 3.45Å; S354-D357 WeakPolarHBondContact CB-OD2 3.29Å; S354-D357 PolarHBondContact N-OD2 3Å; S354-D357 VanDerWaalsContact N-OD2 3.15Å; S354-D357 PolarHBondContact O-N 2.92Å; S354-D357 PolarHBondContact OG-N 2.91Å; S354-D357 PolarHBondContact OG-OD2 2.9Å; S354-L358 PolarHBondContact O-N 3.39Å
355P55.1Low52.2Low89 Ų8972 Ų7258%0.57844%0.444SS*.Hα-helixtrans-55.7-35.8171.8-24.634.7000112P347 L358 Q359P347-P355 HydrophobicContact CG-CG 4.31Å; P355-L358 PolarHBondContact O-N 3.46Å; P355-Q359 WeakPolarHBondContact O-CB 3.42Å; P355-Q359 PolarHBondContact O-N 3.2Å
356S63.5Low53Low80 Ų8076 Ų7656%0.55946%0.462SS*.Hα-helixtrans-64.9-47176.2-52.10000112.3S354 L358 Q359 Q360S354-S356 PolarHBondContact O-N 3.36Å; S354-S356 PolarHBondContact OG-N 3.45Å; S356-L358 VanDerWaalsContact C-N 3.3Å; S356-L358 PolarHBondContact O-N 3.34Å; S356-Q359 WeakPolarHBondContact O-CB 3.46Å; S356-Q359 PolarHBondContact O-N 3.31Å; S356-Q360 VanDerWaalsContact O-CB 3.23Å; S356-Q360 WeakPolarHBondContact O-CB 3.48Å; S356-Q360 PolarHBondContact O-N 3.19Å
357D61.6Low53.2Low78 Ų7871.6 Ų71.642%0.41744%0.441SS..Hα-helixtrans-62-39.6177.8-61.2-58.2000111.3I353 S354 Q360 L361I353-D357 HydrophobicContact CD1-CB 4.43Å; I353-D357 HydrophobicContact CG1-CB 3.68Å; S354-D357 WeakPolarHBondContact CB-OD2 3.29Å; S354-D357 PolarHBondContact N-OD2 3Å; S354-D357 VanDerWaalsContact N-OD2 3.15Å; S354-D357 PolarHBondContact O-N 2.92Å; S354-D357 PolarHBondContact OG-N 2.91Å; S354-D357 PolarHBondContact OG-OD2 2.9Å; D357-Q360 PolarHBondContact O-N 2.87Å; D357-L361 WeakPolarHBondContact O-CB 3.41Å; D357-L361 WeakPolarHBondContact O-CG 3.42Å; D357-L361 PolarHBondContact O-N 3.42Å
358L61.9Low53.6Low30 Ų3078 Ų7816%0.15747%0.47CS..Hα-helixtrans-64.6-47.1175.8-171.473.8000111.1L345 P347 S354 P355 S356 Q360 L361 V362L345-L358 HydrophobicContact CB-CD2 3.86Å; L345-L358 VanDerWaalsContact O-CD2 3.3Å; L345-L358 WeakPolarHBondContact O-CD2 3.5Å; P347-L358 HydrophobicContact CG-CD2 4.26Å; S354-L358 PolarHBondContact O-N 3.39Å; P355-L358 PolarHBondContact O-N 3.46Å; S356-L358 VanDerWaalsContact C-N 3.3Å; S356-L358 PolarHBondContact O-N 3.34Å; L358-Q360 VanDerWaalsContact C-N 3.27Å; L358-Q360 PolarHBondContact O-N 3.3Å; L358-L361 PolarHBondContact O-N 3.03Å; L358-V362 WeakPolarHBondContact O-CG2 3.44Å; L358-V362 PolarHBondContact O-N 2.65Å
359Q64.3Low54.1Low143 Ų14379.8 Ų79.867%0.66848%0.481SS*.Hα-helixtrans-58.9-40.9176.2-161.275.748.400111.2P355 S356 V362 A363P355-Q359 WeakPolarHBondContact O-CB 3.42Å; P355-Q359 PolarHBondContact O-N 3.2Å; S356-Q359 WeakPolarHBondContact O-CB 3.46Å; S356-Q359 PolarHBondContact O-N 3.31Å; Q359-V362 PolarHBondContact O-N 3.06Å; Q359-A363 VanDerWaalsContact O-CB 3.32Å; Q359-A363 WeakPolarHBondContact O-CB 3.19Å; Q359-A363 PolarHBondContact O-N 3.24Å
360Q63.9Low54.5Low134 Ų13477 Ų7763%0.62647%0.465SS*.Hα-helixtrans-75.7-35.8-176.7-162155.86.400112.3S356 D357 L358 A363 S364S356-Q360 VanDerWaalsContact O-CB 3.23Å; S356-Q360 WeakPolarHBondContact O-CB 3.48Å; S356-Q360 PolarHBondContact O-N 3.19Å; D357-Q360 PolarHBondContact O-N 2.87Å; L358-Q360 VanDerWaalsContact C-N 3.27Å; L358-Q360 PolarHBondContact O-N 3.3Å; Q360-A363 PolarHBondContact O-N 2.96Å; Q360-S364 WeakPolarHBondContact O-CB 3.43Å; Q360-S364 PolarHBondContact O-N 3.47Å; Q360-S364 PolarHBondContact O-OG 3.35Å
361L59Low54.8Low39 Ų3976 Ų7620%0.20445%0.449CS..Hα-helixtrans-67-35.3170.5-82.4162.9000113.4I353 D357 L358 G365 A372I353-L361 HydrophobicContact CD1-CD1 3.75Å; D357-L361 WeakPolarHBondContact O-CB 3.41Å; D357-L361 WeakPolarHBondContact O-CG 3.42Å; D357-L361 PolarHBondContact O-N 3.42Å; L358-L361 PolarHBondContact O-N 3.03Å; L361-G365 PolarHBondContact O-N 3.17Å; L361-A372 HydrophobicContact CD2-CB 4.27Å
362V57.6Low55Low39 Ų3974.5 Ų74.524%0.23644%0.439CS..Hα-helixtrans-69.6-36.2173.5170.30000110.9Q250 L358 Q359Q250-V362 PolarHBondContact NE2-O 3.38Å; Q250-V362 VanDerWaalsContact NE2-O 3.09Å; L358-V362 WeakPolarHBondContact O-CG2 3.44Å; L358-V362 PolarHBondContact O-N 2.65Å; Q359-V362 PolarHBondContact O-N 3.06Å
363A55.7Low54.7Low87 Ų8774.6 Ų74.672%0.71943%0.428SS*.Hα-helixtrans-78-35.7178.800000114.2Q359 Q360Q359-A363 VanDerWaalsContact O-CB 3.32Å; Q359-A363 WeakPolarHBondContact O-CB 3.19Å; Q359-A363 PolarHBondContact O-N 3.24Å; Q360-A363 PolarHBondContact O-N 2.96Å
364S53.8Low54.2Low53 Ų5379.9 Ų79.937%0.37145%0.452SS..Hα-helixtrans-83.1-20.1-176.775.20000113.9Q360 E366Q360-S364 WeakPolarHBondContact O-CB 3.43Å; Q360-S364 PolarHBondContact O-N 3.47Å; Q360-S364 PolarHBondContact O-OG 3.35Å; S364-E366 WeakPolarHBondContact CB-OE2 3.21Å; S364-E366 PolarHBondContact O-N 3.22Å; S364-E366 WeakPolarHBondContact OG-CB 3.43Å; S364-E366 VanDerWaalsContact OG-CG 3.28Å; S364-E366 WeakPolarHBondContact OG-CG 3.05Å; S364-E366 PolarHBondContact OG-N 2.93Å; S364-E366 PolarHBondContact OG-OE2 3.05Å
365G55.9Low53.6Low30 Ų3084 Ų8431%0.30948%0.476SS..  trans71.30.8-174.900000114.4L361 F367 M368L361-G365 PolarHBondContact O-N 3.17Å; G365-F367 PolarHBondContact O-N 3.42Å; G365-M368 PolarHBondContact O-N 2.95Å
366E53.8Low52.9Low116 Ų11681.7 Ų81.754%0.54246%0.458SS..G310 helixtrans-69.4-1.3-173.2-67171.5119.100114.4S364 M368 S369 A372S364-E366 WeakPolarHBondContact CB-OE2 3.21Å; S364-E366 PolarHBondContact O-N 3.22Å; S364-E366 WeakPolarHBondContact OG-CB 3.43Å; S364-E366 VanDerWaalsContact OG-CG 3.28Å; S364-E366 WeakPolarHBondContact OG-CG 3.05Å; S364-E366 PolarHBondContact OG-N 2.93Å; S364-E366 PolarHBondContact OG-OE2 3.05Å; E366-M368 PolarHBondContact O-N 3.44Å; E366-S369 VanDerWaalsContact O-CB 3.23Å; E366-S369 WeakPolarHBondContact O-CB 3.47Å; E366-S369 PolarHBondContact O-N 3.41Å; E366-A372 VanDerWaalsContact O-CB 3.31Å; E366-A372 WeakPolarHBondContact O-CB 3.49Å
367F48.5Very low51.7Low35 Ų3581.5 Ų81.515%0.15445%0.45CS..G310 helixtrans-54.1-22.9169.5-161.2-83.4000112.8V239 L242 A243 I246 G365 L376V239-F367 HydrophobicContact CG1-CE1 4.25Å; V239-F367 HydrophobicContact CG1-CZ 4.28Å; L242-F367 HydrophobicContact CD2-CE2 4.04Å; L242-F367 HydrophobicContact CD2-CZ 4.03Å; L242-F367 HydrophobicContact CG-CZ 4.41Å; A243-F367 HydrophobicContact CB-CD1 4.33Å; A243-F367 HydrophobicContact CB-CE1 3.98Å; I246-F367 HydrophobicContact CD1-CD2 4.3Å; G365-F367 PolarHBondContact O-N 3.42Å; F367-L376 HydrophobicContact CD2-CD1 3.76Å; F367-L376 HydrophobicContact CE2-CD1 3.45Å; F367-L376 VanDerWaalsContact CE2-CD1 3.45Å; F367-L376 HydrophobicContact CZ-CD1 4.16Å
368M45.7Very low50.4Low161 Ų16180 Ų8079%0.79345%0.453SS*.G310 helixtrans-78.2-14.2173.1-68.9-177.756.100114.3G365 E366G365-M368 PolarHBondContact O-N 2.95Å; E366-M368 PolarHBondContact O-N 3.44Å
369S51.6Low49.1Very low57 Ų5786.6 Ų86.640%0.39948%0.484SS..SBendtrans-79.2144.5-179.1-175.80000112.8E366 A371 A372 R373E366-S369 VanDerWaalsContact O-CB 3.23Å; E366-S369 WeakPolarHBondContact O-CB 3.47Å; E366-S369 PolarHBondContact O-N 3.41Å; S369-A371 PolarHBondContact O-N 2.89Å; S369-A371 PolarHBondContact OG-N 3.29Å; S369-A372 PolarHBondContact O-N 3.11Å; S369-R373 PolarHBondContact O-N 2.68Å
370S45.2Very low47.8Very low82 Ų8281 Ų8157%0.57346%0.46SS*.Hα-helixtrans-68.3-13.2178.1-148.70000113.5Q374S370-Q374 PolarHBondContact O-NE2 3.19Å
371A46.6Very low46.8Very low60 Ų6081.4 Ų81.450%0.49648%0.477SS..Hα-helixtrans-73.2-53.5170.500000111.4S369 R373 Q374 T375S369-A371 PolarHBondContact O-N 2.89Å; S369-A371 PolarHBondContact OG-N 3.29Å; A371-R373 PolarHBondContact O-N 3.33Å; A371-Q374 PolarHBondContact O-N 3.09Å; A371-T375 PolarHBondContact O-N 3.27Å; A371-T375 PolarHBondContact O-OG1 2.93Å
372A47.8Very low45.9Very low12 Ų1285 Ų8510%0.09950%0.497CS..Hα-helixtrans-57.9-36.8177.700000112.1L361 E366 S369 Q374 T375 L376L361-A372 HydrophobicContact CD2-CB 4.27Å; E366-A372 VanDerWaalsContact O-CB 3.31Å; E366-A372 WeakPolarHBondContact O-CB 3.49Å; S369-A372 PolarHBondContact O-N 3.11Å; A372-Q374 VanDerWaalsContact C-N 3.26Å; A372-Q374 PolarHBondContact O-N 2.84Å; A372-T375 PolarHBondContact O-N 2.79Å; A372-L376 WeakPolarHBondContact O-CB 3.25Å; A372-L376 WeakPolarHBondContact O-CG 3.44Å; A372-L376 PolarHBondContact O-N 3.01Å
373R42.1Very low44.7Very low167 Ų16785.5 Ų85.563%0.6351%0.51SS*.Hα-helixtrans-56.2-33.7172-77.6-178.1158.2-154.1-4.8114.2S369 A371 L377S369-R373 PolarHBondContact O-N 2.68Å; A371-R373 PolarHBondContact O-N 3.33Å; R373-L377 WeakPolarHBondContact O-CB 3.44Å; R373-L377 PolarHBondContact O-N 3.41Å
374Q44.5Very low43.8Very low144 Ų14484.7 Ų84.767%0.67350%0.499SS*.Hα-helixtrans-81.4-38.4177.7-72.8177.394.400111.9S370 A371 A372 G378S370-Q374 PolarHBondContact O-NE2 3.19Å; A371-Q374 PolarHBondContact O-N 3.09Å; A372-Q374 VanDerWaalsContact C-N 3.26Å; A372-Q374 PolarHBondContact O-N 2.84Å; Q374-G378 PolarHBondContact O-N 2.82Å; Q374-G378 VanDerWaalsContact O-N 3.08Å
375T46.6Very low42.9Very low128 Ų12887.9 Ų87.979%0.78552%0.517SS*.Hα-helixtrans-65.2-39.5177.1-49.80000112.4A371 A372A371-T375 PolarHBondContact O-N 3.27Å; A371-T375 PolarHBondContact O-OG1 2.93Å; A372-T375 PolarHBondContact O-N 2.79Å
376L40.9Very low42Very low40 Ų4093.1 Ų93.121%0.20953%0.527CS..Hα-helixtrans-78.6-26179.9-73.6160.2000113.9I353 F367 A372 L388I353-L376 HydrophobicContact CD1-CD2 4Å; F367-L376 HydrophobicContact CD2-CD1 3.76Å; F367-L376 HydrophobicContact CE2-CD1 3.45Å; F367-L376 VanDerWaalsContact CE2-CD1 3.45Å; F367-L376 HydrophobicContact CZ-CD1 4.16Å; A372-L376 WeakPolarHBondContact O-CB 3.25Å; A372-L376 WeakPolarHBondContact O-CG 3.44Å; A372-L376 PolarHBondContact O-N 3.01Å; L376-L388 HydrophobicContact CD2-CD1 4.22Å
377L39.2Very low41.3Very low76 Ų7692.9 Ų92.940%0.39853%0.526SS..  trans-137.543.7-169.1-64.1164.2000112.7V239 R373 Q379V239-L377 HydrophobicContact CG1-CD1 4.48Å; V239-L377 HydrophobicContact CG2-CD1 3.9Å; V239-L377 HydrophobicContact CG2-CD2 4.36Å; R373-L377 WeakPolarHBondContact O-CB 3.44Å; R373-L377 PolarHBondContact O-N 3.41Å; L377-Q379 PolarHBondContact O-N 3.1Å; L377-Q379 VanDerWaalsContact O-N 3.08Å
378G33Very low40.6Very low46 Ų4693.7 Ų93.747%0.47453%0.532SS..  trans-60.5110.316400000110.1Q374 S380Q374-G378 PolarHBondContact O-N 2.82Å; Q374-G378 VanDerWaalsContact O-N 3.08Å; G378-S380 PolarHBondContact O-N 2.89Å
379Q35.8Very low40Very low170 Ų17091.3 Ų91.379%0.79452%0.515SS*.  trans-61123.7173-71.3-162.9-43.200109.1L377L377-Q379 PolarHBondContact O-N 3.1Å; L377-Q379 VanDerWaalsContact O-N 3.08Å
380S36.8Very low39.3Very low26 Ų2689.1 Ų89.118%0.18250%0.499CS..  trans-67.9153.8165.6310000109.9G378 D382 G383 R386G378-S380 PolarHBondContact O-N 2.89Å; S380-D382 WeakPolarHBondContact CB-OD1 3.34Å; S380-D382 PolarHBondContact O-N 3.21Å; S380-D382 PolarHBondContact OG-OD1 3.3Å; S380-G383 PolarHBondContact O-N 3.43Å; S380-R386 PolarHBondContact OG-NH2 3.05Å
381S41.7Very low38.8Very low141 Ų14188 Ų8899%0.98649%0.486SS*.THydrogen-bonded Turntrans-66.52.4-176.951.10000114.7
382D41.9Very low38.4Very low114 Ų11486.7 Ų86.761%0.6147%0.471SS*.THydrogen-bonded Turntrans-94.1-12.4172.462.7-6.5000113.5S380 S384S380-D382 WeakPolarHBondContact CB-OD1 3.34Å; S380-D382 PolarHBondContact O-N 3.21Å; S380-D382 PolarHBondContact OG-OD1 3.3Å; D382-S384 WeakPolarHBondContact OD1-CB 3.39Å; D382-S384 PolarHBondContact OD1-N 2.94Å; D382-S384 WeakPolarHBondContact OD2-CB 3.44Å
383G32.6Very low37.6Very low50 Ų5089.4 Ų89.452%0.51549%0.488SS..  trans80.49.5-17500000115.1S380S380-G383 PolarHBondContact O-N 3.43Å
384S34.8Very low37.4Very low70 Ų7084.6 Ų84.649%0.4948%0.48SS..  trans-78.6131.9-174.4-169.10000113.5D382 R386D382-S384 WeakPolarHBondContact OD1-CB 3.39Å; D382-S384 PolarHBondContact OD1-N 2.94Å; D382-S384 WeakPolarHBondContact OD2-CB 3.44Å; S384-R386 PolarHBondContact O-N 2.95Å
385T36Very low37.1Very low121 Ų12184.8 Ų84.874%0.74249%0.486SS*.  trans-79.8114.7-178.3-36.30000111.4Q387T385-Q387 PolarHBondContact O-N 3.46Å
386R36Very low36.3Very low139 Ų13982 Ų8253%0.52547%0.47SS..PPolyproline II helixtrans-77.8120.1-180-65.9177.7180-98.3-16.5111.3S380 S384S380-R386 PolarHBondContact OG-NH2 3.05Å; S384-R386 PolarHBondContact O-N 2.95Å
387Q39.7Very low36Very low112 Ų11285.7 Ų85.752%0.52350%0.497SS..PPolyproline II helixtrans-88.5144.1175.5-66.2-7920.100110.8T385 Y389T385-Q387 PolarHBondContact O-N 3.46Å; Q387-Y389 HydrophobicContact CB-CE2 4.45Å
388L34Very low35.8Very low52 Ų5285.9 Ų85.927%0.27250%0.501SS..PPolyproline II helixtrans-99.8128.4168.9-83.2164.8000110.3L242 L376 L390L242-L388 HydrophobicContact CD2-CD1 4.23Å; L376-L388 HydrophobicContact CD2-CD1 4.22Å; L388-L390 HydrophobicContact CB-CD1 4.14Å
389Y33.4Very low35.8Very low110 Ų11090.7 Ų90.743%0.43152%0.515SS..EExtended strand (participates in β ladder)trans-101.7123.9174.1-67.3-84.8000109.7V236 Q387V236-Y389 HydrophobicContact CG2-CD1 4.41Å; V236-Y389 HydrophobicContact CG2-CE1 4.16Å; Q387-Y389 HydrophobicContact CB-CE2 4.45Å
390L36.3Very low35.6Very low12 Ų1287.1 Ų87.16%0.06350%0.499CS..EExtended strand (participates in β ladder)trans-123.8139172.3-65.891.1000109.1L242 L345 L388L242-L390 HydrophobicContact CD1-CD2 4.24Å; L345-L390 HydrophobicContact CB-CD2 4.3Å; L345-L390 HydrophobicContact CD1-CD2 3.97Å; L345-L390 HydrophobicContact CD2-CD2 4.03Å; L345-L390 HydrophobicContact CG-CD2 4.33Å; L388-L390 HydrophobicContact CB-CD1 4.14Å
391L34.1Very low35.3Very low58 Ų5890 Ų9030%0.30452%0.517SS..EExtended strand (participates in β ladder)trans-83.7134.6170.3-76.365.9000108V232 A348V232-L391 HydrophobicContact CG1-CB 4.01Å; V232-L391 HydrophobicContact CG1-CD2 3.79Å; V232-L391 HydrophobicContact CG1-CG 3.64Å; A348-L391 HydrophobicContact CB-CD1 4.25Å
392V38.8Very low34.9Very low32 Ų3294.3 Ų94.319%0.19451%0.511CS..EExtended strand (participates in β ladder)trans-125.5125.4176.4-177.60000108A235A235-V392 HydrophobicContact CB-CG2 4.02Å
393P32Very low34.4Very low70 Ų7094.7 Ų94.746%0.45552%0.518SS..  trans-62.5144.7176.4-24.335000112.9D395P393-D395 VanDerWaalsContact C-N 3.3Å; P393-D395 PolarHBondContact O-N 3.41Å
394S36.8Very low34.3Very low65 Ų6597.4 Ų97.446%0.45553%0.529SS..THydrogen-bonded Turntrans-71.2-19.7-167.7-47.30000114.6P231 C396P231-S394 PolarHBondContact O-OG 3.43Å; S394-C396 PolarHBondContact O-N 2.88Å
395D38Very low34.1Very low149 Ų149100.8 Ų100.880%0.79754%0.541SS*.THydrogen-bonded Turntrans-89.910.3-166.3-52.6-70.1000115.1P393P393-D395 VanDerWaalsContact C-N 3.3Å; P393-D395 PolarHBondContact O-N 3.41Å
396C30.9Very low34Very low68 Ų68102.2 Ų102.246%0.45954%0.544SS..  trans-121111.5-174.2-760000112.8S394 V398S394-C396 PolarHBondContact O-N 2.88Å; C396-V398 PolarHBondContact O-N 2.85Å
397P34.7Very low33.7Very low118 Ų118103.8 Ų103.877%0.76656%0.558SS**  trans-73.598.5175.129.4-33.5000111.3I399P397-I399 PolarHBondContact O-N 2.93Å
398V33.7Very low33.3Very low81 Ų81104.4 Ų104.449%0.49157%0.571SS.*  trans-7586.6178.8-174.90000110.9C396 M400C396-V398 PolarHBondContact O-N 2.85Å; V398-M400 HydrophobicContact CG1-CE 4.21Å; V398-M400 HydrophobicContact CG1-CG 4.17Å; V398-M400 PolarHBondContact O-N 2.76Å; V398-M400 VanDerWaalsContact O-N 3.13Å
399I33Very low33.2Very low147 Ų147107.8 Ų107.875%0.75460%0.595SS**  trans-75.596.7173.1-56.6175.6000109.2P397P397-I399 PolarHBondContact O-N 2.93Å
400M32.1Very low33.2Very low95 Ų95109.2 Ų109.247%0.46861%0.607SS.*  trans-81.1122169.6-68.5-168.1-179.300110.6V398 R402V398-M400 HydrophobicContact CG1-CE 4.21Å; V398-M400 HydrophobicContact CG1-CG 4.17Å; V398-M400 PolarHBondContact O-N 2.76Å; V398-M400 VanDerWaalsContact O-N 3.13Å; M400-R402 PolarHBondContact O-N 2.97Å
401P30.6Very low33Very low85 Ų85114.3 Ų114.355%0.55264%0.639SS**  trans-67.9128.7171.727.9-33000110.2V403P401-V403 PolarHBondContact O-N 3.38Å
402R33.5Very low33.1Very low232 Ų232117.4 Ų117.488%0.87566%0.662SS**  trans-66.1105.3171.4-87.9-172.8165.8101.2-4.7109.5M400 S404M400-R402 PolarHBondContact O-N 2.97Å; R402-S404 VanDerWaalsContact C-N 3.35Å; R402-S404 PolarHBondContact O-N 3.14Å
403V32.1Very low33.1Very low123 Ų123123.9 Ų123.975%0.74569%0.694SS**  trans-69.692.4170.2-177.60000108.8P401 N405P401-V403 PolarHBondContact O-N 3.38Å; V403-N405 PolarHBondContact O-N 3.22Å; V403-N405 VanDerWaalsContact O-N 3.17Å
404S30.3Very low33.2Very low106 Ų106127.4 Ų127.474%0.74171%0.708SS**  trans-76.596.9172.4-167.20000109.4R402 N406R402-S404 VanDerWaalsContact C-N 3.35Å; R402-S404 PolarHBondContact O-N 3.14Å; S404-N406 PolarHBondContact O-N 3.36Å
405N29.5Very low33.2Very low141 Ų141130.2 Ų130.275%0.75473%0.725SS**  trans-70.888.4172.3-86-0.5000110V403V403-N405 PolarHBondContact O-N 3.22Å; V403-N405 VanDerWaalsContact O-N 3.17Å
406N33.8Very low32.8Very low151 Ų151127.6 Ų127.681%0.80772%0.718SS**  trans-154138.3161.4-100.8-38.4000113.5S404S404-N406 PolarHBondContact O-N 3.36Å
407Q30.9Very low33.2Very low173 Ų173131.2 Ų131.281%0.80874%0.738SS**  trans67.1120.6167.4-161.3162-4.600118.6
408P30.3Very low32.9Very low124 Ų124130.8 Ų130.881%0.80574%0.738SS**  trans-86.4135.9170.534.1-31.9000111.7
409T32.6Very low33.1Very low124 Ų124132.1 Ų132.176%0.76175%0.748SS**  trans-110.6115.6172.1-610000109.6
410M33.3Very low33.1Very low139 Ų139131.9 Ų131.969%0.68575%0.748SS**  trans-83.9122.5170-80.4-71.5-17600109.9
411T32.3Very low33.2Very low120 Ų120133.8 Ų133.874%0.73676%0.759SS**  trans-93.5144.116345.30000110.2
412P36.9Very low33.3Very low123 Ų123137.6 Ų137.680%0.79977%0.769SS**  trans-113160.2145.534.7-28.5000110.9
413I37.1Very low33.3Very low167 Ų167130.9 Ų130.986%0.85676%0.758SS**  trans-90154.9-167.7-65165.6000111.4
414L34.9Very low33.4Very low145 Ų145132.7 Ų132.776%0.75976%0.762SS**  trans-55160.1174.7-14277.5000112.8
415P36.4Very low33.8Very low124 Ų124132.8 Ų132.881%0.80576%0.76SS**  -132.8166.7105.138.2-31.2000114
416S30.4Very low34.1Very low94 Ų94131.7 Ų131.766%0.65776%0.758SS**  trans-81.1150.7-170.648.30000114.7
417T38.1Very low34.1Very low143 Ų143130.1 Ų130.188%0.87776%0.759SS**  -162.2135.3121.620.30000111.7
418S29.6Very low34.2Very low109 Ų109126.3 Ų126.376%0.76276%0.757SS**  trans-98.1-177.3160.8-47.90000107.8
419P37.2Very low34.6Very low109 Ų109125.7 Ų125.771%0.70875%0.753SS**  cis-149.1-166.7945.8-25.5000117.3
420L32.6Very low34.6Very low142 Ų142126.7 Ų126.774%0.74375%0.752SS**  trans77.4138.9148.9-72.2174.4000122.6
421I35.4Very low34.6Very low136 Ų136127.2 Ų127.270%0.69776%0.757SS**  trans71.2135.1140.5-73.8166.3000118.1
422E32.5Very low34.6Very low165 Ų165129.5 Ų129.577%0.77176%0.76SS**  cis-171.3176.7-12.5-156.7174.1179.100110.1
423S33.7Very low34.3Very low91 Ų91128.1 Ų128.164%0.63676%0.759SS**  trans65.481152.8-60.10000123.8
424I34.5Very low34.2Very low161 Ų161127.7 Ų127.783%0.82676%0.756SS**  17.7146.3111.7-26.2166.9000118.5
425P37.8Very low34.3Very low108 Ų108126.4 Ų126.470%0.70176%0.76SS**  cis-141.1-143.5-47.847.9-29.5000113.7
426T35Very low34.4Very low118 Ų118126.4 Ų126.472%0.72476%0.76SS**  trans111.8130.9142.9-0.10000122.6
427S33.6Very low34.5Very low117 Ų117125 Ų12582%0.81876%0.759SS**  trans83.8145.7148.3-60.10000123.4
428A33.8Very low34.4Very low93 Ų93125.1 Ų125.177%0.76976%0.76SS**  trans-145.7-131.2175.600000107.9
429P38.4Very low34.7Very low112 Ų112128 Ų12873%0.72776%0.761SS**  cis-139.7-159.8-17.226.81.1000115.1
430I34Very low35Very low145 Ų145127.7 Ų127.774%0.74476%0.759SS**  trans79.4147.21527.1172.1000125.8
431L32.4Very low35.1Very low149 Ų149129.1 Ų129.178%0.7876%0.762SS**  trans76.1152.3157.6-62.7179.2000119
432E32.3Very low35.1Very low169 Ų169129.2 Ų129.279%0.7976%0.759SS**  cis-143.9174.27.4-152166.5174.300112.3
433A30.4Very low35.2Very low94 Ų94128.5 Ų128.578%0.77776%0.761SS**  trans-147.5146.1-178.900000113.9
434I34.8Very low35Very low157 Ų157130.3 Ų130.381%0.80576%0.763SS**  trans-142.8128.7173.7-56.1-179.9000111.6
435S37.3Very low35Very low119 Ų119129.7 Ų129.783%0.83277%0.767SS**  trans-144.8140.8160.6-68.20000109.5
436P38.9Very low34.7Very low124 Ų124131 Ų13181%0.80576%0.763SS**  -140.5173.3129.133.1-16.9000111.7
437G32.7Very low34.4Very low63 Ų63134.2 Ų134.265%0.64977%0.773SS**  cis128.9156.44.100000111.6
438V35.6Very low34.2Very low146 Ų146135.4 Ų135.489%0.88577%0.765SS**  trans78.2139.4174.1-174.30000115.6
439E35.8Very low34.2Very low170 Ų170135 Ų13579%0.79476%0.757SS**  cis-170-176.9-34.1-107.5-58.882.800107.4
440P43.4Very low33.9Very low102 Ų102137.8 Ų137.866%0.66276%0.76SS**  trans-97.1-169.9-16341.4-41.7000115.7
441E34.5Very low33.6Very low173 Ų173135.4 Ų135.481%0.80876%0.757SS**  trans-169.6169.5143-93.4-94.4104.800112.7
442E35.7Very low33.7Very low137 Ų137133.6 Ų133.664%0.6476%0.756SS**  trans-54.2153.9-163.2-40.9-176.1126.900121.8
443N35.5Very low33.6Very low151 Ų151130.9 Ų130.981%0.80775%0.751SS**  -165.9163.4105.9-116.8-75.8000117.5
444N28.8Very low33.4Very low128 Ų128131.4 Ų131.468%0.68475%0.748SS**  trans-97.6161.7-171.2-80.1-78.3000115
445V35.1Very low33.2Very low149 Ų149129.7 Ų129.790%0.90374%0.74SS**  -169.5144.5116.8142.80000110.9
446Q29.8Very low32.9Very low134 Ų134130.9 Ų130.963%0.62674%0.737SS**  trans-115.4143.5-168.9164-177-17.900111.9
447M30.3Very low32.6Very low187 Ų187129 Ų12992%0.92173%0.732SS**  trans-142.3161.2150.5-79.1-56-7900109.5
448Q28Very low32.6Very low142 Ų142134.5 Ų134.566%0.66474%0.741SS**  trans-144.7177.1-148.8-170.4169.2-9.600112.2
449S34.1Very low32.3Very low85 Ų85135 Ų13559%0.59473%0.734SS**  trans81.1142.2166.7-60.20000116.4
450E31.8Very low32Very low170 Ų170133.6 Ų133.679%0.79474%0.736SS**  cis-158.6178.9-5.2-125.2148.1-122.900113.9
451S29.5Very low31.2Very low95 Ų95135 Ų13566%0.66474%0.738SS**  trans-47.8159175.861.20000115.7
452S32.8Very low31.1Very low111 Ų111132.7 Ų132.778%0.77674%0.736SS**  173.7179.360.646.30000112.4
453T30Very low30.8Very low112 Ų112131.1 Ų131.169%0.68774%0.74SS**  cis-177.6135.6-42.6-75.70000109.2
454C27.1Very low30.6Very low104 Ų104130 Ų13070%0.70374%0.738SS**  trans68.6163.6161.3-77.10000119
455N31.6Very low30.5Very low121 Ų121128.9 Ų128.965%0.64774%0.74SS**  cis-163.1159.4-5.8-118.2-8.2000114.1
456N30.1Very low30.3Very low144 Ų144129.6 Ų129.677%0.7773%0.733SS**  trans61.4149.7144.5-67.4-20.3000120.3
457A32.3Very low30.3Very low84 Ų84131 Ų13169%0.69474%0.744SS**  cis-163.9-167.5-12.300000107
458Q32.3Very low30.2Very low180 Ų180125.7 Ų125.784%0.84173%0.731SS**  cis-151.9-135.69.5-156.7171.1-93.600111.2
459Q29.3Very low30.1Very low157 Ų157125.3 Ų125.373%0.73474%0.738SS**  trans-155.2162.7-170.5-62.4174.4-1400111.1
460V29.5Very low29.8Very low139 Ų139125.5 Ų125.584%0.84274%0.736SS**  trans161118.2145158.10000106.4
461L28.1Very low29.6Very low132 Ų132121.7 Ų121.769%0.69172%0.719SS**  cis102.1137.715.5-149164000113.7
462T31.7Very low29.6Very low125 Ų125121.4 Ų121.477%0.76771%0.71SS**  trans75.6152.3-174.878.20000114.4
463S29.7Very low29.5Very low103 Ų103122.1 Ų122.172%0.7270%0.704SS**  cis-167.7178.1-21.551.80000107.3
464V29.9Very low29.8Very low129 Ų129122.7 Ų122.778%0.78271%0.71SS**  cis-144.8165.414.1-167.10000109.1
465S28.1Very low29.8Very low103 Ų103126.3 Ų126.372%0.7272%0.719SS**  trans-76.8163.7173.8-38.50000114.8
466H30.8Very low29.6Very low164 Ų164125.9 Ų125.976%0.75973%0.725SS**  -179.7122.4128.4-97.4-66.6000114.2
467L29.3Very low29.5Very low163 Ų163123 Ų12385%0.85372%0.717SS**  trans58.6148.5148.4-57165.5000120.3
468A28.2Very low29.3Very low77 Ų77123.6 Ų123.664%0.63672%0.722SS**  cis-168.5165.2-22.300000110.9
469T26.6Very low29.1Very low133 Ų133120.1 Ų120.182%0.81672%0.717SS**  trans25129.2140.1-57.50000119.4
470T27.9Very low29Very low90 Ų90118.7 Ų118.755%0.55272%0.719SS**  cis-162.3-1642.6-105.20000110.1V122V122-T470 HydrophobicContact CB-CG2 3.73Å; V122-T470 HydrophobicContact CG1-CG2 3.58Å
471M26.3Very low28.9Very low90 Ų90118.5 Ų118.544%0.44372%0.719SS.*  trans-137.2-169.9-170.9-32.6171.477.300114.4V122 A123 L124V122-M471 WeakPolarHBondContact CG1-O 3.48Å; A123-M471 HydrophobicContact CB-CB 3.7Å; A123-M471 HydrophobicContact CB-CG 4.06Å; A123-M471 HydrophobicContact CB-SD 4.1Å; L124-M471 HydrophobicContact CD2-SD 4.05Å
472L29.5Very low28.8Very low89 Ų89116.3 Ų116.347%0.46672%0.72SS.*  trans89.8122.2166.8-76.6176000120.8V122 A123V122-L472 HydrophobicContact CG1-CB 4.17Å; V122-L472 HydrophobicContact CG1-CD1 4.21Å; A123-L472 HydrophobicContact CB-CB 4.33Å; A123-L472 HydrophobicContact CB-CD1 3.51Å; A123-L472 HydrophobicContact CB-CG 3.48Å; A123-L472 VanDerWaalsContact CB-CG 3.48Å
473N31Very low28.7Very low125 Ų125118.7 Ų118.767%0.66873%0.727SS**  37.2149.4112.7-65.611.5000120.5
474P36.5Very low28.5Very low124 Ų124118.6 Ų118.681%0.80573%0.726SS**  cis-144.2174.532.941.6-22.1000119
475M26.2Very low28.3Very low180 Ų180117.4 Ų117.489%0.88772%0.72SS**  trans-67.1129.1163.9159.2-173.96600112.6
476S28.7Very low28.6Very low112 Ų112122.8 Ų122.878%0.78373%0.73SS**  trans-172.2161138.3-152.40000115.7
477S27.8Very low28.6Very low84 Ų84122 Ų12259%0.58773%0.731SS**  trans-47144-17957.40000121.7
478A28.4Very low28.6Very low97 Ų97119.1 Ų119.180%0.80273%0.731SS**  trans-161.1124.1138.900000108.3
479S28.1Very low28.6Very low107 Ų107118.7 Ų118.775%0.74873%0.734SS**  85.6102.867.8-161.80000114.7
480T26.5Very low29Very low126 Ų126120 Ų12077%0.77374%0.735SS**  42.1120.8126.6-39.80000120.3
481T27Very low29.2Very low135 Ų135124.2 Ų124.283%0.82875%0.748SS**  168.7152.5125.4-740000111.1
482A26.7Very low29.5Very low87 Ų87124 Ų12472%0.71976%0.761SS**  trans72.1144.9-178.500000114.7
483L29.3Very low29.6Very low174 Ų174131.1 Ų131.191%0.91178%0.782SS**  cis-114.6139.18.2-73160.1000112.7
484S24.9Very low29.8Very low102 Ų102130.9 Ų130.971%0.71378%0.781SS**  trans-84.8157.3158.2179.10000109.6
485T27.7Very low29.6Very low104 Ų104132.2 Ų132.264%0.63878%0.776SS**  trans71.193.8159.8-44.30000115.9
486F33.8Very low29.9Very low216 Ų216134.1 Ų134.195%0.94777%0.773SS**  -134.2143.5122.8-131.1-89.3000110.1
487L29.7Very low30.3Very low146 Ų146134 Ų13476%0.76477%0.769SS**  trans-105.2155.5-165.4-86.7161.9000112.8
488A29.4Very low30.3Very low104 Ų104136.5 Ų136.586%0.8678%0.775SS**  trans61.9126.6154.200000118.8
489G29.9Very low30.6Very low68 Ų68140.3 Ų140.370%0.70178%0.776SS**  trans177.682.9171.500000114.4
490L33.4Very low30.5Very low161 Ų161144 Ų14484%0.84378%0.781SS**  trans64.2110.1161.5-56164.6000116.4
491E32.1Very low30.7Very low177 Ų177146.1 Ų146.183%0.82779%0.786SS**  72.584.454.9-158.6174.5174.600112
492A32.6Very low30.7Very low87 Ų87147.7 Ų147.772%0.71979%0.785SS**  83.2104.978.700000115.3
493R31.9Very low30.8Very low237 Ų237151.6 Ų151.689%0.89479%0.792SS**  trans-171.6141.8161.4-105.4171.9162.1114.9-2.8108.2
494N34.4Very low30.9Very low121 Ų121147 Ų14765%0.64779%0.788SS**  cis-160.5173.6-14-143.3-129.8000110.8
495H34.2Very low31.3Very low152 Ų152150.1 Ų150.170%0.70480%0.796SS**  trans-44.5168.7-179.4-43.2-49.3000117.8
496R31.7Very low32Very low220 Ų220150.1 Ų150.183%0.8380%0.798SS**  cis-166.3170.4-10.9-119.1-174.1171.5-172.3-1.7108.6
497P36.9Very low32.1Very low108 Ų108147 Ų14770%0.70179%0.791SS**  trans-103.3-168.5179.338.1-28.9000114.3
498I28.2Very low32.4Very low137 Ų137147.5 Ų147.570%0.70379%0.791SS**  trans133.1144.2150.8-63.5153.3000113.5
499Q33.9Very low32.7Very low177 Ų177152.6 Ų152.683%0.82779%0.79SS**  trans75118.5178.6-37.2-162.8-7.100115.9
500Q26.3Very low33.5Very low184 Ų184154.1 Ų154.186%0.8679%0.786SS**  cis83.584.333-164.6-173.4-3.900114.2
501I31Very low33.5Very low171 Ų171152.1 Ų152.188%0.87778%0.782SS**  trans-130.5129.1156.1-65.2-178.2000108.3
502Q27.3Very low33.9Very low169 Ų169151 Ų15179%0.7978%0.782SS**  trans-104.6133.3170.3171.9123.611.900108.2
503L29.2Very low34.1Very low168 Ų168150.1 Ų150.188%0.8878%0.781SS**  trans167.1149.9142.6-112.866000110.8
504G30.7Very low34.5Very low79 Ų79147.2 Ų147.281%0.81478%0.778SS**  trans103.485.8153.700000117.8
505D33.2Very low34.7Very low166 Ų166148 Ų14889%0.88879%0.787SS**  trans-76.6163.6155.4-99.3-52.6000110.8
506P42.9Very low34.7Very low104 Ų104151.4 Ų151.468%0.67580%0.795SS**  trans-90.9143.2-143.832.7-38000117.4M508P506-M508 PolarHBondContact O-N 3.15Å
507D35.4Very low34.9Very low150 Ų150146 Ų14680%0.80279%0.791SS**  trans-72.7106162.2-96.9-45.6000111.2
508M36.5Very low34.5Very low158 Ų158146.3 Ų146.378%0.77880%0.796SS**  trans-114.269.8167.9-91.2-67.8-6700110.8P506P506-M508 PolarHBondContact O-N 3.15Å
509Y35Very low34.9Very low211 Ų211147.6 Ų147.683%0.82780%0.803SS**  trans-89110.8167.9-98.4-84.2000111.2
510T45.7Very low34.9Very low100 Ų100144.3 Ų144.361%0.61380%0.795SS**  trans-120.2143.4156.648.60000109.5
511P34.9Very low35.3Very low118 Ų118142.1 Ų142.177%0.76679%0.789SS**THydrogen-bonded Turntrans-65.4143178.127.2-33.6000110.5
512N41Very low35.4Very low153 Ų153142.4 Ų142.482%0.81879%0.787SS**THydrogen-bonded Turntrans84.832.6176-46.2-26.3000117.7H514N512-H514 PolarHBondContact O-N 2.94Å; N512-H514 VanDerWaalsContact O-N 3.09Å
513G35.1Very low36Very low69 Ų69139.2 Ų139.271%0.71178%0.779SS**  66.725.3112.700000121
514H40.8Very low36.5Very low177 Ų177137.5 Ų137.582%0.81977%0.771SS**  trans-127.7112.9171.4-77.1-64.8000113.6N512N512-H514 PolarHBondContact O-N 2.94Å; N512-H514 VanDerWaalsContact O-N 3.09Å
515T39.2Very low36.8Very low137 Ų137144 Ų14484%0.8477%0.771SS**  trans-76.3129.3171.3-30.30000110.4
516Y33Very low36.9Very low223 Ų223146.1 Ų146.188%0.87577%0.773SS**  trans-109.5124.3167-102.6-87.6000110.5
517S36.5Very low36.6Very low108 Ų108152.8 Ų152.876%0.75578%0.784SS**  trans-76.5155.3177-61.20000112L519S517-L519 PolarHBondContact O-N 2.72Å
518S29.5Very low36.7Very low113 Ų113151.1 Ų151.179%0.7978%0.784SS**  trans-49.1134.5170.4-1780000112.1
519L36.3Very low36.5Very low164 Ų164154.6 Ų154.686%0.85979%0.79SS**  trans-135.9125.7161.8-113.1173.1000109.9S517S517-L519 PolarHBondContact O-N 2.72Å
520V34Very low36.9Very low108 Ų108149.9 Ų149.966%0.65579%0.785SS**  trans-79.1173.6170.4-70.20000111
521D33.6Very low36.4Very low138 Ų138151 Ų15174%0.73879%0.792SS**  trans63.980.3168.1-62.6-47.6000118.1
522E34.4Very low36.2Very low178 Ų178156 Ų15683%0.83280%0.797SS**  trans-104.451.2165.4-165.7151.1-138.200112.7
523T40Very low35.9Very low102 Ų102154.3 Ų154.363%0.62679%0.793SS**SBendtrans-12234.8-173.947.90000114.8
524N38.2Very low35.9Very low132 Ų132159.8 Ų159.871%0.70680%0.8SS**SBendtrans-153.5-0.7170.2-109.5-57.5000118.6F526N524-F526 PolarHBondContact O-N 3.1Å; N524-F526 VanDerWaalsContact O-N 3.12Å
525R37.6Very low35.6Very low215 Ų215160.7 Ų160.781%0.81181%0.805SS**  trans-90.345.4-164.2-154.2-171.9-70.6-134.3-0.8116.7
526F35.6Very low35.2Very low211 Ų211161.3 Ų161.393%0.92580%0.802SS**  trans-137.353.1175.3-80-72.2000114.7N524N524-F526 PolarHBondContact O-N 3.1Å; N524-F526 VanDerWaalsContact O-N 3.12Å
527R36.8Very low35.4Very low243 Ų243155.1 Ų155.192%0.91779%0.791SS**SBendtrans-148.344.2169.9-144.9178.8-167.7-85.71.4117.2
528S36.9Very low35.3Very low115 Ų115158 Ų15880%0.80479%0.793SS**  trans-152.4109.2165.847.50000112.5
529Y33.2Very low35.6Very low232 Ų232160 Ų16091%0.9179%0.789SS**PPolyproline II helixtrans-79.5139.4158.3-82.9-84000108.6T531Y529-T531 PolarHBondContact O-N 2.96Å
530P43.5Very low35.8Very low111 Ų111157.6 Ų157.672%0.72178%0.776SS**PPolyproline II helixtrans-72.9125.2178.428.9-33.5000111.1Y532P530-Y532 PolarHBondContact O-N 3.38Å
531T34.2Very low36.4Very low123 Ų123155.3 Ų155.376%0.75576%0.763SS**PPolyproline II helixtrans-68.3125.5166.2-620000109.2Y529 T533Y529-T531 PolarHBondContact O-N 2.96Å; T531-T533 PolarHBondContact O-N 3.45Å
532Y30.4Very low36.7Very low224 Ų224154.1 Ų154.188%0.87875%0.753SS**  trans-70.591.5175.4-101.9-92000111.3P530P530-Y532 PolarHBondContact O-N 3.38Å
533T35.9Very low36.8Very low117 Ų117150.3 Ų150.372%0.71874%0.739SS**  trans-90.9107.9162.651.30000109.2T531 Q535T531-T533 PolarHBondContact O-N 3.45Å; T533-Q535 PolarHBondContact O-N 2.96Å
534Q33.7Very low36.9Very low184 Ų184150.9 Ų150.986%0.8674%0.742SS**  trans-65.1125.7170-77.7-174.533.800109.7
535Q34.5Very low37Very low197 Ų197150.6 Ų150.692%0.92175%0.745SS**  trans-114.3117.9174-172.2175.2-38.600107.9T533T533-Q535 PolarHBondContact O-N 2.96Å
536L32.3Very low37Very low150 Ų150146.1 Ų146.179%0.78574%0.742SS**  trans-124.6132.3-166.3-173.771.7000112.5
537S35.5Very low37.1Very low93 Ų93146.9 Ų146.965%0.6574%0.739SS**  trans-175.6149.5166.9-87.60000109.7
538H36.1Very low37.1Very low169 Ų169143.9 Ų143.978%0.78274%0.735SS**  cis-110.8-139.4-9.3-59.3-77.9000108.4
539H35.5Very low37.1Very low155 Ų155144.2 Ų144.272%0.71874%0.737SS**  cis-152.8164.52.4-161.9-91000112
540L39.7Very low37Very low112 Ų112139.6 Ų139.659%0.58673%0.733SS**  trans-92.6179-175.2-45.5-30.8000112E69E69-L540 WeakPolarHBondContact OE1-CD1 3.45Å; E69-L540 WeakPolarHBondContact OE2-CA 3.29Å; E69-L540 WeakPolarHBondContact OE2-CB 3.45Å; E69-L540 WeakPolarHBondContact OE2-CD1 3.28Å; E69-L540 WeakPolarHBondContact OE2-CG 3.3Å
541P46.6Very low36.6Very low60 Ų60142.1 Ų142.139%0.3974%0.739SS.*  cis-126.8-151.4-22.743-24.6000111.4G68 E69G68-P541 PolarHBondContact N-O 3.47Å; E69-P541 VanDerWaalsContact N-C 3.3Å; E69-P541 WeakPolarHBondContact OE2-CA 3.35Å
542H39.4Very low36.5Very low113 Ų113140.5 Ų140.552%0.52374%0.738SS.*  cis-153.5142.3-6.4-121.6-16.5000113.2G68 E69 L70G68-H542 WeakPolarHBondContact CA-O 3.44Å; E69-H542 CarbonylContact O-C 3.11Å; E69-H542 WeakPolarHBondContact O-CA 3.47Å; L70-H542 WeakPolarHBondContact CD1-ND1 3.4Å
543N38Very low36.5Very low98 Ų98133.9 Ų133.952%0.52473%0.73SS.*  trans65.1161.3165.2-84.9-42.2000120.1E69E69-N543 PolarHBondContact O-N 3.35Å
544T41.8Very low36.3Very low115 Ų115133.9 Ų133.971%0.70674%0.735SS**  cis-158.4147.14.4-30000115.2
545T39.5Very low36.1Very low125 Ų125129.7 Ų129.777%0.76773%0.726SS**  38.9147.7128.7-67.60000125.4
546V38.8Very low36.1Very low122 Ų122126.1 Ų126.174%0.73972%0.718SS**  cis-176172.2-28.899.20000112.1
547R37.1Very low36.2Very low227 Ų227124.8 Ų124.886%0.85772%0.716SS**  trans89.6125.1175.5-54-167.2173.3-179.3-3.8116.7
548Q36.8Very low36.2Very low180 Ų180124.9 Ų124.984%0.84172%0.717SS**  cis98.5115.913-163.3-173.238.300116.8
549S36.1Very low36.1Very low122 Ų122123.5 Ų123.585%0.85372%0.715SS**  trans-167143.6157.4-77.60000110.4
550V32.1Very low36.1Very low135 Ų135123.8 Ų123.882%0.81872%0.722SS**  trans-148.1147.9-175.7172.90000109.2
551L34.3Very low36Very low163 Ų163123.8 Ų123.885%0.85373%0.727SS**  trans168127.9153.4-87.8155.4000106.5
552A31.7Very low35.3Very low89 Ų89127.5 Ų127.574%0.73674%0.737SS**  71.2137.670.800000113.9
553A31.7Very low35.2Very low85 Ų85130.1 Ų130.170%0.70275%0.747SS**  cis-167.4174.3-9.400000110.8
554S31.2Very low35Very low118 Ų118131.3 Ų131.383%0.82575%0.75SS**  trans67156.4161.573.40000118.2
555S29.6Very low34.5Very low96 Ų96132.6 Ų132.667%0.67175%0.748SS**  cis-169.7-177.6-21.249.50000111.2
556T34.1Very low34Very low121 Ų121135.1 Ų135.174%0.74275%0.751SS**  trans78.4115.8161.456.30000121.6
557T34.1Very low33.8Very low122 Ų122134 Ų13475%0.74875%0.749SS**  52.3133.9127-15.10000119
558S36.2Very low33.6Very low96 Ų96128.8 Ų128.867%0.67175%0.746SS**  cis-163.7151.639.9-41.90000115.4
559N34.7Very low33.4Very low139 Ų139128.1 Ų128.174%0.74375%0.749SS**  trans39.9118.5142.9-53.3-5.5000122.1
560N34.8Very low32.9Very low161 Ų161127.2 Ų127.286%0.86174%0.742SS**  -169.7151.4100.1-96-20.5000114.1
561T38.3Very low33Very low113 Ų113128.5 Ų128.569%0.69374%0.744SS**  trans-73.9169177.345.10000113.2
562F31.7Very low32.7Very low138 Ų138125.3 Ų125.361%0.60574%0.735SS**  cis-147.7176.912.3-114.8152000108.2Q564F562-Q564 HydrophobicContact CD2-CG 3.91Å; F562-Q564 HydrophobicContact CE2-CG 3.69Å
563F36.2Very low32.7Very low167 Ų167127.7 Ų127.773%0.73274%0.735SS**  cis-129.5147.210.2-79.9-71.9000108.5
564Q33.3Very low32.6Very low123 Ų123129.6 Ų129.658%0.57573%0.733SS**  56.7127.475-65.2-167.9-41.700115.6F562F562-Q564 HydrophobicContact CD2-CG 3.91Å; F562-Q564 HydrophobicContact CE2-CG 3.69Å
565Q32.3Very low32.7Very low143 Ų143131.7 Ų131.767%0.66873%0.73SS**  cis-161.7133.7-14.1-139.2163.3-61.700105.4
566E29.7Very low32.8Very low178 Ų178132 Ų13283%0.83273%0.728SS**  58.3140.157.4-57.3-137.6129.400113.1
567S33.5Very low32.5Very low99 Ų99131.6 Ų131.669%0.69273%0.729SS**  cis-142.5164.627.5-52.20000114.9
568S32.4Very low32.5Very low116 Ų116131 Ų13181%0.81173%0.73SS**  trans-74.9156.6155.3-54.70000110.5
569D33.6Very low32.3Very low167 Ų167132.4 Ų132.489%0.89373%0.734SS**  trans-145.6133.8153.5-110.4-38.3000111.6
570S26.1Very low32.6Very low102 Ų102131.8 Ų131.871%0.71374%0.737SS**  trans-137.9131.6166.961.20000107.4
571L33.3Very low32.6Very low163 Ų163130.9 Ų130.985%0.85373%0.733SS**  trans172.3112.9148.5-96.4162.2000113.3
572S27.6Very low32.3Very low95 Ų95132 Ų13266%0.66473%0.734SS**  trans73.2153.7134.474.30000123.2
573L31.7Very low32.4Very low140 Ų140131.9 Ų131.973%0.73374%0.738SS**  trans89.8113.2155.6-70.8149.3000121
574N31Very low32.4Very low125 Ų125128.9 Ų128.967%0.66873%0.734SS**  trans75.4150.7144.4-65.3-21.5000120.9
575Q32.6Very low32.5Very low161 Ų161128 Ų12875%0.75274%0.741SS**  cis-169.3156.6-36.5-135.1-179.891.800110.3
576T32Very low32.8Very low102 Ų102127.2 Ų127.263%0.62674%0.742SS**  trans73.891147.4-50.20000121.6
577C27.8Very low33.2Very low113 Ų113125.6 Ų125.676%0.76474%0.739SS**  55.7135.6116.6-53.10000125.4
578S34.2Very low33.4Very low110 Ų110126.7 Ų126.777%0.76974%0.742SS**  trans101.2117.2132.9-66.30000123.9
579V32.5Very low33.6Very low126 Ų126126.9 Ų126.976%0.76474%0.738SS**  trans-13.1156.6137-95.50000118.8
580P40.6Very low33.6Very low125 Ų125124.6 Ų124.681%0.81273%0.73SS**  -151.2-168.150.544.1-22.4000119.3
581N34.2Very low34Very low143 Ų143123.6 Ų123.677%0.76573%0.728SS**  trans-76159.7-173.3-49-28.6000115.7
582N31.5Very low34.1Very low135 Ų135121.8 Ų121.872%0.72272%0.724SS**  136.3138.9102.7-144.45.3000118
583I35Very low34.5Very low136 Ų136124 Ų12470%0.69773%0.727SS**  trans80125.6138.8-110.5173.7000123.3
584T35.1Very low34.6Very low105 Ų105123.1 Ų123.164%0.64473%0.727SS**  trans78.5100.8140.8-58.70000122.4
585S36.2Very low34.7Very low104 Ų104122.1 Ų122.173%0.72773%0.726SS**  65.7170.5128.8-52.20000119.5
586N39Very low34.9Very low126 Ų126121.2 Ų121.267%0.67473%0.726SS**  cis-158.9146.1-4.826-109.6000112
587N37.5Very low35.1Very low145 Ų145122.6 Ų122.678%0.77573%0.73SS**  trans64.7110.5141.4-62.54.7000123.2
588T36.9Very low35.7Very low122 Ų122120.7 Ų120.775%0.74872%0.718SS**  82.3131.5110.1-52.60000122.5
589T37.9Very low35.8Very low119 Ų119121.8 Ų121.873%0.7372%0.715SS**  trans95.9102.9144.4-87.60000123
590T32.5Very low36.1Very low120 Ų120121.9 Ų121.974%0.73671%0.711SS**  8497.1116.2-51.70000122.9
591A35.6Very low35.8Very low81 Ų81123.2 Ų123.267%0.66971%0.712SS**  85.3151.2118.400000126.1
592T34.3Very low35.9Very low125 Ų125119.2 Ų119.277%0.76770%0.704SS**  trans86128.6141.233.60000124.7
593I36.8Very low36.1Very low142 Ų142121.2 Ų121.273%0.72871%0.709SS**  trans87.693.2140-65162.5000120.7
594T32.9Very low36.3Very low120 Ų120122.1 Ų122.174%0.73672%0.716SS**  49.9141.1115.5-27.30000123.6
595T34.7Very low36.3Very low105 Ų105121.3 Ų121.364%0.64471%0.714SS**  trans106.8138.3136.1-4.20000120.6
596N36.7Very low36.4Very low141 Ų141123.9 Ų123.975%0.75472%0.719SS**  trans75.5153.1155.3-64-39.2000119.6
597N35.6Very low36.5Very low131 Ų131123.3 Ų123.370%0.70172%0.72SS**  cis-169.5159.6-33.3-161.3-16.8000108.7
598S39.7Very low36.4Very low74 Ų74124 Ų12452%0.51772%0.724SS.*  trans71.3109.3147.6-68.10000122.1
599N37.1Very low36.5Very low133 Ų133121.9 Ų121.971%0.71173%0.726SS**  80.3138111.7-60.9-6.9000123.7
600N38.9Very low36.3Very low127 Ų127124 Ų12468%0.67973%0.727SS**  trans81.8113.5141.9-65-7.2000122
601N33.3Very low36.5Very low153 Ų153125.3 Ų125.382%0.81872%0.723SS**  54.8146.6113.9-49.1-9.4000121.9
602G37.4Very low36.5Very low59 Ų59129.2 Ų129.261%0.60873%0.728SS**  trans109.2116.5171.400000111.4
603E35.1Very low36.4Very low178 Ų178127.8 Ų127.883%0.83272%0.723SS**  cis93.9132.441.187-158.198.700113.6
604D38.8Very low36.5Very low155 Ų155126.5 Ų126.583%0.82972%0.724SS**  trans62.4158.2171.5-73.7-16.2000120.2
605S36.1Very low36.5Very low87 Ų87126.3 Ų126.361%0.60872%0.722SS**  cis-170.1165.9-30.4-166.50000110.8
606L38.4Very low36.4Very low158 Ų158125.8 Ų125.883%0.82772%0.723SS**  trans67.2151.4169.8-41.9178.9000115.9
607T41.2Very low36.3Very low115 Ų115127.1 Ų127.171%0.70672%0.724SS**  cis-150.7149.327.451.10000115.4
608N34.5Very low36.3Very low159 Ų159125.6 Ų125.685%0.8572%0.724SS**  trans68.895.5141.3-63.3-1.8000123.8
609G39.4Very low35.8Very low78 Ų78129.5 Ų129.580%0.80474%0.739SS**  102.4149.1126.500000118.7
610H34Very low35.6Very low162 Ų162130.2 Ų130.275%0.7575%0.748SS**  cis-161.8150.2-12.7-168.332.3000109.9
611F36.7Very low35.2Very low149 Ų149129.2 Ų129.265%0.65475%0.751SS**  trans58.3105.5-175.2-72.1-80.6000116.4
612Q35.5Very low35.2Very low162 Ų162126.1 Ų126.176%0.75775%0.747SS**  87.3102.967.8-175.4171.699.100111.2
613S32.4Very low34.9Very low96 Ų96128.3 Ų128.367%0.67175%0.748SS**  75.1142.657.8-170.70000112.7
614P38.7Very low34.8Very low115 Ų115126.7 Ų126.775%0.74775%0.745SS**  cis-114.1163.29.932.4-14.2000114.8
615V33Very low34.5Very low116 Ų116124.8 Ų124.870%0.70374%0.739SS**  cis75.4129.849.8-154.90000114.6
616S31.1Very low34.3Very low93 Ų93130 Ų13065%0.6575%0.751SS**  trans70.4143.6171.7-55.40000116.2
617H35.9Very low34Very low169 Ų169128.7 Ų128.778%0.78275%0.75SS**  cis-150.4152.836.7-86.4-84.8000115.3
618S35.5Very low33.5Very low99 Ų99129.2 Ų129.269%0.69275%0.753SS**  trans55.6109.9140.9-55.20000121.8
619N28.6Very low33.4Very low157 Ų157126.1 Ų126.184%0.8474%0.744SS**  11.7131.1125.4-50.4-4.1000118.7
620V34.2Very low33.2Very low147 Ų147129.8 Ų129.889%0.89175%0.745SS**  -166.1149.2108.7140.40000110.2
621S28.9Very low33.3Very low107 Ų107127.9 Ų127.975%0.74875%0.745SS**  trans-86.9150.1-168.2-460000115.6
622A33.8Very low33.5Very low88 Ų88125.5 Ų125.573%0.72774%0.744SS**  trans-146.8126135.500000105.3
623T30.5Very low33.5Very low105 Ų105125 Ų12564%0.64475%0.746SS**  cis58.9136.743.586.60000111.5
624N33.3Very low33.7Very low143 Ų143125.2 Ų125.277%0.76575%0.748SS**  cis-118.7148.722.9-64.2-15000111.2
625T32.7Very low33.7Very low116 Ų116125.3 Ų125.371%0.71274%0.742SS**  cis77.1127.147.5-43.80000113.1
626F31.9Very low34Very low196 Ų196127.4 Ų127.486%0.8674%0.742SS**  trans-65.6-168.9170.3-107.8-109000111.9
627T32Very low34.4Very low131 Ų131129.2 Ų129.280%0.80475%0.749SS**  trans87.3152.1162.2750000117.8
628T31.1Very low34.4Very low125 Ų125127.4 Ų127.477%0.76775%0.752SS**  trans-95.7170.5-164.643.60000113.5
629S32.4Very low34.5Very low95 Ų95132.1 Ų132.166%0.66476%0.763SS**  trans89.4124.6144.682.60000118.9
630L34.7Very low34.9Very low155 Ų155132.4 Ų132.481%0.81276%0.764SS**  trans62.8143.2143-53165.4000117.8
631T35.6Very low35.3Very low122 Ų122131 Ų13175%0.74876%0.758SS**  cis-158.3166.3-8.27.90000108.3
632P41.2Very low35.7Very low98 Ų98132.3 Ų132.364%0.63676%0.762SS**  trans-89.9166.5-169.537.1-36.9000114.4
633N35.5Very low35.8Very low151 Ų151133 Ų13381%0.80776%0.762SS**  176.4156113-92.5-40.3000117
634S37.9Very low36.4Very low102 Ų102133.4 Ų133.471%0.71377%0.769SS**  trans80.4130147-66.50000124.3
635D37Very low36.7Very low116 Ų116136 Ų13662%0.6277%0.773SS**  trans86.991.2135.8-76.7-7.9000124.6
636K39.9Very low37.1Very low161 Ų161136.2 Ų136.270%0.778%0.779SS**  86.2136.1112.2-78.3-177.1-170.684.20122.2
637T39.7Very low37.5Very low130 Ų130133.4 Ų133.480%0.79877%0.773SS**  trans66.7114.7145.748.40000120.9
638P36.2Very low38.1Very low131 Ų131134 Ų13485%0.85178%0.777SS**  trans-92.5151.9161.236.6-31.9000112.6
639Q37.4Very low38.5Very low198 Ų198133 Ų13393%0.92578%0.775SS**  trans-146.1162.1169.3-155.7166.99.600112.4
640L37.3Very low39.2Very low164 Ų164135.3 Ų135.386%0.85978%0.778SS**  trans-85.4165.5-164.9-101.766.1000115.6
641P41.7Very low39.4Very low118 Ų118134.5 Ų134.577%0.76678%0.775SS**  trans-100170-165.239.8-38000116
642T37.7Very low39.5Very low133 Ų133137.2 Ų137.282%0.81678%0.779SS**  trans-139.3116.6174.245.30000115.2
643S36.7Very low39.4Very low104 Ų104138.1 Ų138.173%0.72779%0.786SS**  trans32124.2142.961.10000123.6
644S41.7Very low39.7Very low113 Ų113142.3 Ų142.379%0.7979%0.791SS**  179118.8119.4-78.30000110.3
645K40.7Very low39.7Very low196 Ų196149.2 Ų149.285%0.85280%0.801SS**  79.492.964.1-79.5-171173.3-179.60115.6
646S41.5Very low40Very low121 Ų121151.5 Ų151.585%0.84681%0.814SS**  trans-168.7171.2138.852.90000110.7
647N39.6Very low40Very low138 Ų138148.7 Ų148.774%0.73881%0.814SS**  -138.8179.5-126.7-70.9-16.4000114.6
648T44.6Very low40.1Very low143 Ų143146.9 Ų146.988%0.87780%0.802SS**  trans77.3144.8167.874.80000116.1
649S38.9Very low40.1Very low104 Ų104147 Ų14773%0.72780%0.801SS**  cis-164166.8-24.5-1640000111
650I47.1Very low40.3Very low143 Ų143144 Ų14473%0.73379%0.791SS**  trans85.4118.4153-90.5164.3000121.2
651D40.1Very low40.4Very low138 Ų138142.8 Ų142.874%0.73879%0.791SS**  trans64.566.5142.5-50.2-20.5000123.3
652E38.2Very low40.6Very low180 Ų180143.6 Ų143.684%0.84179%0.787SS**  29.7111.1110.4-172.9162.4-138.600121.1
653C38.7Very low40.6Very low116 Ų116145.4 Ų145.478%0.78479%0.791SS**  -166.6139.6127.6-111.10000115.4
654R41.4Very low40.6Very low239 Ų239147.1 Ų147.190%0.90279%0.792SS**  trans53.593.5164.8-70.2-171.2167.2112.6-0.1119.6
655R37.6Very low40.2Very low247 Ų247148.1 Ų148.193%0.93279%0.794SS**  trans-141.9116.1142.3-107.7-168.5-71.4157.1-4111.3
656N42.8Very low40.3Very low165 Ų165144 Ų14488%0.88279%0.79SS**  trans-150.8144.9164.6-89.7-12.5000105.1
657S40Very low40.1Very low101 Ų101145.2 Ų145.271%0.70679%0.787SS**  cis-143.5134.16.5-164.40000106
658V42.1Very low40.1Very low92 Ų92145.7 Ų145.756%0.55879%0.789SS**  54.710564.1-172.90000109.5
659T36.6Very low39.7Very low134 Ų134150.1 Ų150.182%0.82279%0.79SS**  cis7064.239-34.50000113.4
660N40.6Very low39.6Very low135 Ų135150.9 Ų150.972%0.72280%0.795SS**  trans-111.1109.3174.3-90.5-10.5000112.2
661T41Very low39Very low139 Ų139152.6 Ų152.685%0.85380%0.8SS**  trans-95.2104.4160.8-600000108.1
662I44.5Very low38.7Very low134 Ų134154.9 Ų154.969%0.68781%0.806SS**  trans-132.8119.6173.3-62.5-177.9000109.3
663L38.9Very low38.9Very low171 Ų171152.8 Ų152.890%0.89581%0.805SS**  trans-72.8126.2163.2-68.6162.4000108.3
664N36.1Very low38.8Very low140 Ų140157.7 Ų157.775%0.74981%0.813SS**  trans-149.4112.7158.5-158.98.4000112.8
665T33.9Very low38.7Very low135 Ų135149.2 Ų149.283%0.82880%0.801SS**  trans-83.4114.7169.343.80000110.1
666S42.3Very low39.1Very low110 Ų110141.6 Ų141.677%0.76979%0.785SS**  trans-159.3141.1160.1-84.30000111.5
667N37.1Very low39.3Very low145 Ų145140.1 Ų140.178%0.77578%0.782SS**  trans-74.7142.7180-59.1-38.4000111
668N39.4Very low39.9Very low148 Ų148139.7 Ų139.779%0.79178%0.775SS**  171.3117.7105.7-87.7-47.3000114.6
669R35.7Very low40.2Very low237 Ų237144.2 Ų144.289%0.89478%0.784SS**  53.987.6124.9-162.5-170.2-168.1-162.64.5119.6
670S37.3Very low41Very low119 Ų119144.9 Ų144.983%0.83278%0.782SS**  trans-158.8160.6134.8500000110.8
671E34.4Very low41.6Very low180 Ų180143 Ų14384%0.84177%0.769SS**  trans-97.2176.5-170.3-66.3150.1104.100113
672Q33.2Very low42.4Very low186 Ų186143.6 Ų143.687%0.86976%0.761SS**  trans65.181167.1-52.4-174.226.200118.9
673V43Very low43Very low135 Ų135144.6 Ų144.682%0.81877%0.767SS**  trans-140.2109.8130.6-175.60000109
674K37.3Very low44.1Very low219 Ų219140.2 Ų140.295%0.95275%0.745SS**  trans-132.276.3174.1-167.3170.4-176.7174.70111.2
675G38.1Very low45.6Very low62 Ų62138.6 Ų138.664%0.63974%0.742SS**  trans148.893.2173.300000113.6
676S46.1Very low47.4Very low86 Ų86138.7 Ų138.760%0.60173%0.733SS**  trans-161.6-7.5166.7-85.50000115.5T678S676-T678 VanDerWaalsContact C-N 3.35Å; S676-T678 PolarHBondContact O-N 2.92Å
677T48.2Very low49.2Very low134 Ų134135.2 Ų135.282%0.82271%0.709SS**THydrogen-bonded Turntrans-74.9-17.2-176.6480000114.8
678T52.7Low51.5Low92 Ų92134 Ų13456%0.56470%0.696SS**THydrogen-bonded Turntrans-81-25.5-171.4-39.20000114.7S676S676-T678 VanDerWaalsContact C-N 3.35Å; S676-T678 PolarHBondContact O-N 2.92Å
679Y48.7Very low53.8Low188 Ų188129.8 Ų129.874%0.73767%0.674SS**SBendtrans-95.4-23.2-165.1-68.1-71.9000115.2E681Y679-E681 VanDerWaalsContact C-N 3.29Å; Y679-E681 PolarHBondContact O-N 3.47Å
680L51.8Low56.4Low148 Ų148122.3 Ų122.378%0.77565%0.651SS**G310 helixtrans-75.6-12177.8-79.9171.9000114.4H682L680-H682 PolarHBondContact O-N 2.84Å
681E53.3Low59Low96 Ų96121.1 Ų121.145%0.44963%0.628SS.*G310 helixtrans-76.6-4.3-176.8-136.8-162.7-162.400114.5Y679 R691Y679-E681 VanDerWaalsContact C-N 3.29Å; Y679-E681 PolarHBondContact O-N 3.47Å; E681-R691 WeakPolarHBondContact OE1-CD 3.32Å; E681-R691 IonicContact OE1-CZ 3.88Å; E681-R691 IonicContact OE1-NE 3.19Å; E681-R691 PolarHBondContact OE1-NE 3.3Å; E681-R691 IonicContact OE1-NH1 3.62Å; E681-R691 PolarHBondContact OE1-NH1 2.72Å; E681-R691 IonicContact OE1-NH2 3.44Å; E681-R691 PolarHBondContact OE1-NH2 2.98Å; E681-R691 IonicContact OE2-CZ 3.2Å; E681-R691 IonicContact OE2-NE 2.64Å; E681-R691 IonicContact OE2-NH2 2.73Å; E681-R691 PolarHBondContact OE2-NH2 3.4Å
682H57.7Low61.8Low151 Ų151120 Ų12070%0.69962%0.616SS**G310 helixtrans-97.3-14.4-171.4-74.786.9000115.2L680L680-H682 PolarHBondContact O-N 2.84Å
683L58.8Low64.6Low155 Ų155116.2 Ų116.281%0.81259%0.594SS**SBendtrans-107.9-1.8-172.7-68.2175.6000115
684N61.5Low66.9Low79 Ų79114.1 Ų114.142%0.42258%0.581SS.*  trans-109.2102.5172.7-174.4-25.3000110.1E686 S687 K688N684-E686 VanDerWaalsContact C-N 3.3Å; N684-E686 PolarHBondContact O-N 2.63Å; N684-E686 WeakPolarHBondContact OD1-CA 3.41Å; N684-E686 VanDerWaalsContact OD1-CB 3.32Å; N684-E686 WeakPolarHBondContact OD1-CB 3.16Å; N684-E686 PolarHBondContact OD1-N 3.29Å; N684-S687 WeakPolarHBondContact O-CB 3.41Å; N684-S687 PolarHBondContact O-N 3.14Å; N684-S687 PolarHBondContact OD1-N 2.89Å; N684-K688 PolarHBondContact O-N 3.13Å
685P66.3Low69.6Low105 Ų105107.1 Ų107.168%0.68256%0.56SS**Hα-helixtrans-65.2-33.7179.926.4-33.5000112.2S687 K688 D689P685-S687 VanDerWaalsContact C-N 3.33Å; P685-S687 PolarHBondContact O-N 2.96Å; P685-K688 WeakPolarHBondContact O-CB 3.36Å; P685-K688 PolarHBondContact O-N 3.26Å; P685-D689 WeakPolarHBondContact O-CB 3.34Å; P685-D689 PolarHBondContact O-N 3.42Å
686E72.9Confident72.4Confident137 Ų137110.1 Ų110.164%0.6456%0.557SS**Hα-helixtrans-67.1-34.8177.2-167.5175.7-169.200111.7N684 D689 I690N684-E686 VanDerWaalsContact C-N 3.3Å; N684-E686 PolarHBondContact O-N 2.63Å; N684-E686 WeakPolarHBondContact OD1-CA 3.41Å; N684-E686 VanDerWaalsContact OD1-CB 3.32Å; N684-E686 WeakPolarHBondContact OD1-CB 3.16Å; N684-E686 PolarHBondContact OD1-N 3.29Å; E686-D689 PolarHBondContact O-N 3.37Å; E686-I690 WeakPolarHBondContact O-CG2 3.33Å; E686-I690 PolarHBondContact O-N 3Å
687S78.9Confident74.8Confident38 Ų38110.8 Ų110.827%0.26655%0.554SS.*Hα-helixtrans-62.2-41.4170.8-175.70000112N684 P685 D689 I690 R691N684-S687 WeakPolarHBondContact O-CB 3.41Å; N684-S687 PolarHBondContact O-N 3.14Å; N684-S687 PolarHBondContact OD1-N 2.89Å; P685-S687 VanDerWaalsContact C-N 3.33Å; P685-S687 PolarHBondContact O-N 2.96Å; S687-D689 VanDerWaalsContact C-N 3.29Å; S687-D689 PolarHBondContact O-N 3.11Å; S687-I690 VanDerWaalsContact O-CG2 3.26Å; S687-I690 WeakPolarHBondContact O-CG2 3.31Å; S687-R691 WeakPolarHBondContact O-CG 3.44Å; S687-R691 PolarHBondContact O-N 2.97Å; S687-R691 PolarHBondContact O-NH1 2.89Å; S687-R691 PolarHBondContact OG-NH1 3.38Å
688K85.4Confident77.1Confident118 Ų118107.1 Ų107.151%0.51353%0.528SS..Hα-helixtrans-66.8-34.5175.1-172.8173.5-176.5171.50111.6N684 P685 R692N684-K688 PolarHBondContact O-N 3.13Å; P685-K688 WeakPolarHBondContact O-CB 3.36Å; P685-K688 PolarHBondContact O-N 3.26Å; K688-R692 WeakPolarHBondContact O-CG 3.44Å; K688-R692 PolarHBondContact O-N 2.84Å
689D89.2Confident79.2Confident61 Ų61107 Ų10733%0.32653%0.526SS..Hα-helixtrans-78.3-37.6-177.4-159.241.2000113.3P685 E686 S687 R691 R692 R693P685-D689 WeakPolarHBondContact O-CB 3.34Å; P685-D689 PolarHBondContact O-N 3.42Å; E686-D689 PolarHBondContact O-N 3.37Å; S687-D689 VanDerWaalsContact C-N 3.29Å; S687-D689 PolarHBondContact O-N 3.11Å; D689-R691 VanDerWaalsContact C-N 3.34Å; D689-R691 PolarHBondContact O-N 3.49Å; D689-R692 WeakPolarHBondContact O-CB 3.28Å; D689-R692 PolarHBondContact O-N 2.81Å; D689-R693 PolarHBondContact O-N 3.46Å; D689-R693 IonicContact OD2-CZ 3.9Å; D689-R693 IonicContact OD2-NH1 3.77Å; D689-R693 PolarHBondContact OD2-NH1 2.95Å; D689-R693 IonicContact OD2-NH2 2.72Å
690I90.2Very high81.5Confident80 Ų8099.7 Ų99.741%0.4150%0.499SS..Hα-helixtrans-64.3-37.7170.2-169.961000111.6E686 S687 R692 R693 V694E686-I690 WeakPolarHBondContact O-CG2 3.33Å; E686-I690 PolarHBondContact O-N 3Å; S687-I690 VanDerWaalsContact O-CG2 3.26Å; S687-I690 WeakPolarHBondContact O-CG2 3.31Å; I690-R692 VanDerWaalsContact C-N 3.3Å; I690-R692 PolarHBondContact O-N 3.43Å; I690-R693 HydrophobicContact CD1-CB 4.43Å; I690-R693 PolarHBondContact O-N 2.93Å; I690-V694 HydrophobicContact CD1-CG2 4.29Å; I690-V694 HydrophobicContact CG1-CG2 4.3Å; I690-V694 WeakPolarHBondContact O-CB 3.32Å; I690-V694 WeakPolarHBondContact O-CG2 3.23Å; I690-V694 PolarHBondContact O-N 3.07Å
691R91.4Very high83.7Confident94 Ų9497.3 Ų97.336%0.35548%0.48SS..Hα-helixtrans-60.1-39.3172.6-69.9-165.2-55.3-8225.3112E681 S687 D689 S695E681-R691 WeakPolarHBondContact OE1-CD 3.32Å; E681-R691 IonicContact OE1-CZ 3.88Å; E681-R691 IonicContact OE1-NE 3.19Å; E681-R691 PolarHBondContact OE1-NE 3.3Å; E681-R691 IonicContact OE1-NH1 3.62Å; E681-R691 PolarHBondContact OE1-NH1 2.72Å; E681-R691 IonicContact OE1-NH2 3.44Å; E681-R691 PolarHBondContact OE1-NH2 2.98Å; E681-R691 IonicContact OE2-CZ 3.2Å; E681-R691 IonicContact OE2-NE 2.64Å; E681-R691 IonicContact OE2-NH2 2.73Å; E681-R691 PolarHBondContact OE2-NH2 3.4Å; S687-R691 WeakPolarHBondContact O-CG 3.44Å; S687-R691 PolarHBondContact O-N 2.97Å; S687-R691 PolarHBondContact O-NH1 2.89Å; S687-R691 PolarHBondContact OG-NH1 3.38Å; D689-R691 VanDerWaalsContact C-N 3.34Å; D689-R691 PolarHBondContact O-N 3.49Å; R691-S695 WeakPolarHBondContact O-CB 3.46Å; R691-S695 PolarHBondContact O-N 2.97Å; R691-S695 VanDerWaalsContact O-N 3.1Å
692R92.6Very high85.8Confident156 Ų15699.2 Ų99.259%0.58948%0.483SS*.Hα-helixtrans-64.4-48.9173.1-73167.4165177.3-8.1112.1K688 D689 I690 V694 S695 H696K688-R692 WeakPolarHBondContact O-CG 3.44Å; K688-R692 PolarHBondContact O-N 2.84Å; D689-R692 WeakPolarHBondContact O-CB 3.28Å; D689-R692 PolarHBondContact O-N 2.81Å; I690-R692 VanDerWaalsContact C-N 3.3Å; I690-R692 PolarHBondContact O-N 3.43Å; R692-V694 PolarHBondContact O-N 3.39Å; R692-S695 PolarHBondContact O-N 3.24Å; R692-H696 WeakPolarHBondContact O-CB 3.34Å; R692-H696 PolarHBondContact O-N 3.41Å
693R93Very high87.7Confident107 Ų10798 Ų9840%0.40447%0.472SS..Hα-helixtrans-58.3-46.1177.5-75.9-169.3-78-91.6-3112.4D689 I690 H696 N697D689-R693 PolarHBondContact O-N 3.46Å; D689-R693 IonicContact OD2-CZ 3.9Å; D689-R693 IonicContact OD2-NH1 3.77Å; D689-R693 PolarHBondContact OD2-NH1 2.95Å; D689-R693 IonicContact OD2-NH2 2.72Å; I690-R693 HydrophobicContact CD1-CB 4.43Å; I690-R693 PolarHBondContact O-N 2.93Å; R693-H696 PolarHBondContact O-N 3.13Å; R693-N697 WeakPolarHBondContact O-CB 3.36Å; R693-N697 PolarHBondContact O-N 3.22Å
694V91.8Very high89.5Confident90 Ų9096.5 Ų96.555%0.54546%0.455SS..Hα-helixtrans-62.2-44.91781710000111.2I690 R692 N697 E698I690-V694 HydrophobicContact CD1-CG2 4.29Å; I690-V694 HydrophobicContact CG1-CG2 4.3Å; I690-V694 WeakPolarHBondContact O-CB 3.32Å; I690-V694 WeakPolarHBondContact O-CG2 3.23Å; I690-V694 PolarHBondContact O-N 3.07Å; R692-V694 PolarHBondContact O-N 3.39Å; V694-N697 PolarHBondContact O-N 3.09Å; V694-E698 PolarHBondContact O-N 2.88Å
695S94Very high91.2Very high73 Ų7395.6 Ų95.651%0.5145%0.451SS..Hα-helixtrans-61.2-46.3176.2-174.70000112.2R691 R692 N697 E698 V699R691-S695 WeakPolarHBondContact O-CB 3.46Å; R691-S695 PolarHBondContact O-N 2.97Å; R691-S695 VanDerWaalsContact O-N 3.1Å; R692-S695 PolarHBondContact O-N 3.24Å; S695-N697 PolarHBondContact O-N 3.45Å; S695-E698 PolarHBondContact O-N 2.94Å; S695-V699 WeakPolarHBondContact O-CG2 3.17Å; S695-V699 PolarHBondContact O-N 3.04Å
696H95.7Very high92.6Very high124 Ų12496.9 Ų96.957%0.57444%0.442SS*.Hα-helixtrans-59.3-46.3176178.478.1000112.1R692 R693 E698 V699 E700R692-H696 WeakPolarHBondContact O-CB 3.34Å; R692-H696 PolarHBondContact O-N 3.41Å; R693-H696 PolarHBondContact O-N 3.13Å; H696-E698 VanDerWaalsContact C-N 3.34Å; H696-E698 PolarHBondContact O-N 3.05Å; H696-V699 PolarHBondContact O-N 3.31Å; H696-E700 WeakPolarHBondContact O-CB 3.36Å; H696-E700 PolarHBondContact O-N 2.97Å
697N96.9Very high93.6Very high100 Ų10093.5 Ų93.554%0.53543%0.427SS..Hα-helixtrans-63.2-37.4179.8-72.5-7.9000112.7R693 V694 S695 R701R693-N697 WeakPolarHBondContact O-CB 3.36Å; R693-N697 PolarHBondContact O-N 3.22Å; V694-N697 PolarHBondContact O-N 3.09Å; S695-N697 PolarHBondContact O-N 3.45Å; N697-R701 WeakPolarHBondContact O-CB 3.37Å; N697-R701 PolarHBondContact O-N 3.42Å
698E96.7Very high94.4Very high58 Ų5894.4 Ų94.427%0.27143%0.429SS..Hα-helixtrans-73.5-39.1176.1173.457.9-170.600112.5V694 S695 H696 E700 R701 R702V694-E698 PolarHBondContact O-N 2.88Å; S695-E698 PolarHBondContact O-N 2.94Å; H696-E698 VanDerWaalsContact C-N 3.34Å; H696-E698 PolarHBondContact O-N 3.05Å; E698-E700 VanDerWaalsContact C-N 3.32Å; E698-E700 PolarHBondContact O-N 2.77Å; E698-R701 PolarHBondContact O-N 2.93Å; E698-R701 IonicContact OE1-CZ 3.29Å; E698-R701 IonicContact OE1-NE 3.93Å; E698-R701 IonicContact OE1-NH2 2.7Å; E698-R701 PolarHBondContact OE1-NH2 3.12Å; E698-R701 IonicContact OE2-CZ 3.29Å; E698-R701 IonicContact OE2-NE 2.67Å; E698-R701 PolarHBondContact OE2-NE 3.25Å; E698-R701 IonicContact OE2-NH2 3.51Å; E698-R701 PolarHBondContact OE2-NH2 3.09Å; E698-R702 WeakPolarHBondContact O-CG 3.27Å; E698-R702 PolarHBondContact O-N 3.2Å; E698-R702 IonicContact OE1-CZ 3.39Å; E698-R702 IonicContact OE1-NE 2.66Å; E698-R702 PolarHBondContact OE1-NE 2.98Å; E698-R702 IonicContact OE1-NH2 2.82Å; E698-R702 PolarHBondContact OE1-NH2 3.41Å
699V96.5Very high94.8Very high89 Ų8992.4 Ų92.454%0.53943%0.427SS..Hα-helixtrans-60.3-44.2171.9167.90000110.6S695 H696 R702 R703S695-V699 WeakPolarHBondContact O-CG2 3.17Å; S695-V699 PolarHBondContact O-N 3.04Å; H696-V699 PolarHBondContact O-N 3.31Å; V699-R702 PolarHBondContact O-N 3.32Å; V699-R703 PolarHBondContact O-N 3.26Å
700E97.2Very high95.1Very high34 Ų3497.7 Ų97.716%0.15944%0.443CS..Hα-helixtrans-69.4-37.2178.1-177.252.9-151.600112.1H696 E698 R702 R703 R704H696-E700 WeakPolarHBondContact O-CB 3.36Å; H696-E700 PolarHBondContact O-N 2.97Å; E698-E700 VanDerWaalsContact C-N 3.32Å; E698-E700 PolarHBondContact O-N 2.77Å; E700-R702 PolarHBondContact O-N 3.36Å; E700-R703 VanDerWaalsContact CD-CZ 3.43Å; E700-R703 VanDerWaalsContact CD-NH1 3.27Å; E700-R703 WeakPolarHBondContact O-CB 3.33Å; E700-R703 PolarHBondContact O-N 3.22Å; E700-R703 VanDerWaalsContact O-N 3.1Å; E700-R703 IonicContact OE1-CZ 2.68Å; E700-R703 IonicContact OE1-NE 3.27Å; E700-R703 PolarHBondContact OE1-NE 3.25Å; E700-R703 IonicContact OE1-NH1 3Å; E700-R703 PolarHBondContact OE1-NH1 2.81Å; E700-R703 IonicContact OE1-NH2 2.7Å; E700-R703 PolarHBondContact OE1-NH2 3.01Å; E700-R703 WeakPolarHBondContact OE2-CD 3.32Å; E700-R703 IonicContact OE2-CZ 3.73Å; E700-R703 IonicContact OE2-NE 3.26Å; E700-R703 PolarHBondContact OE2-NE 2.67Å; E700-R703 IonicContact OE2-NH1 3.11Å; E700-R703 PolarHBondContact OE2-NH1 3.33Å; E700-R704 WeakPolarHBondContact O-CG 3.5Å; E700-R704 PolarHBondContact O-N 3.09Å
701R97.2Very high95.2Very high99 Ų9994.9 Ų94.937%0.37443%0.428SS..Hα-helixtrans-55.4-51.7170.9-165.9-17165.465.812.3110.4N697 E698 R703 R704 D705N697-R701 WeakPolarHBondContact O-CB 3.37Å; N697-R701 PolarHBondContact O-N 3.42Å; E698-R701 PolarHBondContact O-N 2.93Å; E698-R701 IonicContact OE1-CZ 3.29Å; E698-R701 IonicContact OE1-NE 3.93Å; E698-R701 IonicContact OE1-NH2 2.7Å; E698-R701 PolarHBondContact OE1-NH2 3.12Å; E698-R701 IonicContact OE2-CZ 3.29Å; E698-R701 IonicContact OE2-NE 2.67Å; E698-R701 PolarHBondContact OE2-NE 3.25Å; E698-R701 IonicContact OE2-NH2 3.51Å; E698-R701 PolarHBondContact OE2-NH2 3.09Å; R701-R703 VanDerWaalsContact C-N 3.26Å; R701-R703 PolarHBondContact O-N 3.06Å; R701-R704 PolarHBondContact O-N 3.04Å; R701-R704 VanDerWaalsContact O-N 3.14Å; R701-D705 IonicContact CZ-OD2 3.25Å; R701-D705 IonicContact NH1-OD1 3.21Å; R701-D705 IonicContact NH1-OD2 3.79Å; R701-D705 PolarHBondContact NH1-OD2 2.84Å; R701-D705 IonicContact NH2-OD2 3.35Å; R701-D705 PolarHBondContact O-N 3.39Å
702R97.5Very high95.1Very high136 Ų13693.6 Ų93.651%0.51343%0.434SS..Hα-helixtrans-61.4-30.2175.9-65.8175.3-167-168.83.8113.3E698 V699 E700 R706E698-R702 WeakPolarHBondContact O-CG 3.27Å; E698-R702 PolarHBondContact O-N 3.2Å; E698-R702 IonicContact OE1-CZ 3.39Å; E698-R702 IonicContact OE1-NE 2.66Å; E698-R702 PolarHBondContact OE1-NE 2.98Å; E698-R702 IonicContact OE1-NH2 2.82Å; E698-R702 PolarHBondContact OE1-NH2 3.41Å; V699-R702 PolarHBondContact O-N 3.32Å; E700-R702 PolarHBondContact O-N 3.36Å; R702-R706 WeakPolarHBondContact O-CG 3.28Å; R702-R706 PolarHBondContact O-N 3.09Å; R702-R706 PolarHBondContact O-NH1 3.42Å
703R98Very high95.1Very high126 Ų12690.3 Ų90.348%0.47543%0.425SS..Hα-helixtrans-67.1-48.6173.8-162.2-166.689.3-164.211.2110.8V699 E700 R701 D705 R706 I707V699-R703 PolarHBondContact O-N 3.26Å; E700-R703 VanDerWaalsContact CD-CZ 3.43Å; E700-R703 VanDerWaalsContact CD-NH1 3.27Å; E700-R703 WeakPolarHBondContact O-CB 3.33Å; E700-R703 PolarHBondContact O-N 3.22Å; E700-R703 VanDerWaalsContact O-N 3.1Å; E700-R703 IonicContact OE1-CZ 2.68Å; E700-R703 IonicContact OE1-NE 3.27Å; E700-R703 PolarHBondContact OE1-NE 3.25Å; E700-R703 IonicContact OE1-NH1 3Å; E700-R703 PolarHBondContact OE1-NH1 2.81Å; E700-R703 IonicContact OE1-NH2 2.7Å; E700-R703 PolarHBondContact OE1-NH2 3.01Å; E700-R703 WeakPolarHBondContact OE2-CD 3.32Å; E700-R703 IonicContact OE2-CZ 3.73Å; E700-R703 IonicContact OE2-NE 3.26Å; E700-R703 PolarHBondContact OE2-NE 2.67Å; E700-R703 IonicContact OE2-NH1 3.11Å; E700-R703 PolarHBondContact OE2-NH1 3.33Å; R701-R703 VanDerWaalsContact C-N 3.26Å; R701-R703 PolarHBondContact O-N 3.06Å; R703-D705 VanDerWaalsContact C-N 3.34Å; R703-D705 PolarHBondContact O-N 3.4Å; R703-R706 PolarHBondContact O-N 3.32Å; R703-I707 HydrophobicContact CG-CD1 4.24Å; R703-I707 WeakPolarHBondContact O-CG1 3.36Å; R703-I707 PolarHBondContact O-N 2.9Å; R703-I707 VanDerWaalsContact O-N 3.13Å
704R97.1Very high95Very high122 Ų12287.8 Ų87.846%0.4642%0.419SS..Hα-helixtrans-61.4-41.6176.2-64.7-173.9-54.7-111.23.7111.6E700 R701 I707 N708E700-R704 WeakPolarHBondContact O-CG 3.5Å; E700-R704 PolarHBondContact O-N 3.09Å; R701-R704 PolarHBondContact O-N 3.04Å; R701-R704 VanDerWaalsContact O-N 3.14Å; R704-I707 PolarHBondContact O-N 3.5Å; R704-N708 PolarHBondContact O-N 3.01Å; R704-N708 PolarHBondContact O-ND2 3.41Å; R704-N708 PolarHBondContact O-OD1 3.06Å
705D96.3Very high94.9Very high60 Ų6086.2 Ų86.232%0.32140%0.404SS..Hα-helixtrans-57.7-50.6177.6-60.9-19.7000111.2R701 R703 I707 N708 T709R701-D705 IonicContact CZ-OD2 3.25Å; R701-D705 IonicContact NH1-OD1 3.21Å; R701-D705 IonicContact NH1-OD2 3.79Å; R701-D705 PolarHBondContact NH1-OD2 2.84Å; R701-D705 IonicContact NH2-OD2 3.35Å; R701-D705 PolarHBondContact O-N 3.39Å; R703-D705 VanDerWaalsContact C-N 3.34Å; R703-D705 PolarHBondContact O-N 3.4Å; D705-I707 VanDerWaalsContact C-N 3.35Å; D705-I707 PolarHBondContact O-N 3.34Å; D705-N708 WeakPolarHBondContact O-CB 3.2Å; D705-N708 PolarHBondContact O-N 3.49Å; D705-N708 VanDerWaalsContact O-N 3.12Å; D705-T709 PolarHBondContact O-N 2.86Å; D705-T709 PolarHBondContact O-OG1 3.33Å
706R96Very high94.6Very high132 Ų13288.4 Ų88.450%0.49840%0.404SS..Hα-helixtrans-60.5-40.7177-70.3-169.8-57.2-86.45.4113R702 R703 N708 T709 W710R702-R706 WeakPolarHBondContact O-CG 3.28Å; R702-R706 PolarHBondContact O-N 3.09Å; R702-R706 PolarHBondContact O-NH1 3.42Å; R703-R706 PolarHBondContact O-N 3.32Å; R706-N708 VanDerWaalsContact C-N 3.31Å; R706-N708 PolarHBondContact O-N 3.25Å; R706-T709 PolarHBondContact O-N 3.49Å; R706-W710 PolarHBondContact O-N 3.49Å
707I94.8Very high94.3Very high66 Ų6687.2 Ų87.234%0.33840%0.402SS..Hα-helixtrans-62.7-40.8175.9-68.6164.9000110.4R703 R704 D705 W710 I711R703-I707 HydrophobicContact CG-CD1 4.24Å; R703-I707 WeakPolarHBondContact O-CG1 3.36Å; R703-I707 PolarHBondContact O-N 2.9Å; R703-I707 VanDerWaalsContact O-N 3.13Å; R704-I707 PolarHBondContact O-N 3.5Å; D705-I707 VanDerWaalsContact C-N 3.35Å; D705-I707 PolarHBondContact O-N 3.34Å; I707-W710 PolarHBondContact O-N 3.26Å; I707-I711 HydrophobicContact CG2-CD1 3.84Å; I707-I711 VanDerWaalsContact O-CG1 3.29Å; I707-I711 WeakPolarHBondContact O-CG1 3.4Å; I707-I711 PolarHBondContact O-N 3.43Å
708N94.8Very high93.9Very high57 Ų5782.8 Ų82.831%0.30538%0.378SS..Hα-helixtrans-63.6-45.3175.5-60-23.1000111.2R704 D705 R706 W710 I711 S712 K731R704-N708 PolarHBondContact O-N 3.01Å; R704-N708 PolarHBondContact O-ND2 3.41Å; R704-N708 PolarHBondContact O-OD1 3.06Å; D705-N708 WeakPolarHBondContact O-CB 3.2Å; D705-N708 PolarHBondContact O-N 3.49Å; D705-N708 VanDerWaalsContact O-N 3.12Å; R706-N708 VanDerWaalsContact C-N 3.31Å; R706-N708 PolarHBondContact O-N 3.25Å; N708-W710 PolarHBondContact O-N 3.19Å; N708-I711 PolarHBondContact O-N 2.98Å; N708-S712 PolarHBondContact O-N 3.32Å; N708-S712 PolarHBondContact O-OG 3.37Å; N708-K731 WeakPolarHBondContact OD1-CE 3.47Å; N708-K731 PolarHBondContact OD1-NZ 3.38Å
709T94.9Very high93.4Very high77 Ų7781.5 Ų81.547%0.47238%0.375SS..Hα-helixtrans-55.8-49.3175.2-54.20000111.1D705 R706 I711 S712 E713D705-T709 PolarHBondContact O-N 2.86Å; D705-T709 PolarHBondContact O-OG1 3.33Å; R706-T709 PolarHBondContact O-N 3.49Å; T709-I711 VanDerWaalsContact C-N 3.34Å; T709-I711 PolarHBondContact O-N 2.79Å; T709-S712 WeakPolarHBondContact O-CB 2.74Å; T709-S712 PolarHBondContact O-N 3.17Å; T709-S712 VanDerWaalsContact O-N 3.13Å; T709-E713 WeakPolarHBondContact O-CG 3.35Å; T709-E713 PolarHBondContact O-N 3.18Å
710W95.3Very high92.5Very high171 Ų17181.6 Ų81.665%0.64838%0.377SS*.Hα-helixtrans-64.1-35.4179-66.8-19.3000113.3R706 I707 N708 S712 E713 L714R706-W710 PolarHBondContact O-N 3.49Å; I707-W710 PolarHBondContact O-N 3.26Å; N708-W710 PolarHBondContact O-N 3.19Å; W710-S712 VanDerWaalsContact C-N 3.34Å; W710-E713 PolarHBondContact O-N 3.5Å; W710-L714 WeakPolarHBondContact O-CB 3.28Å; W710-L714 VanDerWaalsContact O-CG 3.28Å; W710-L714 WeakPolarHBondContact O-CG 3.49Å; W710-L714 PolarHBondContact O-N 3.21Å
711I91.8Very high91.3Very high21 Ų2185.3 Ų85.311%0.10840%0.398CS..Hα-helixtrans-65.3-39.4173-68164.5000110.9I707 N708 T709 L714 Y715 K731 V734I707-I711 HydrophobicContact CG2-CD1 3.84Å; I707-I711 VanDerWaalsContact O-CG1 3.29Å; I707-I711 WeakPolarHBondContact O-CG1 3.4Å; I707-I711 PolarHBondContact O-N 3.43Å; N708-I711 PolarHBondContact O-N 2.98Å; T709-I711 VanDerWaalsContact C-N 3.34Å; T709-I711 PolarHBondContact O-N 2.79Å; I711-L714 PolarHBondContact O-N 2.72Å; I711-Y715 WeakPolarHBondContact O-CB 3.44Å; I711-Y715 PolarHBondContact O-N 3.06Å; I711-K731 HydrophobicContact CD1-CB 4.13Å; I711-K731 HydrophobicContact CD1-CD 3.86Å; I711-K731 HydrophobicContact CD1-CG 4.04Å; I711-V734 HydrophobicContact CG2-CB 4.13Å; I711-V734 HydrophobicContact CG2-CG1 3.99Å; I711-V734 HydrophobicContact CG2-CG2 4.34Å
712S89.4Confident90Very high67 Ų6783 Ų8347%0.46939%0.392SS..Hα-helixtrans-67.1-35.7174.2-630000113.1N708 T709 W710 K716N708-S712 PolarHBondContact O-N 3.32Å; N708-S712 PolarHBondContact O-OG 3.37Å; T709-S712 WeakPolarHBondContact O-CB 2.74Å; T709-S712 PolarHBondContact O-N 3.17Å; T709-S712 VanDerWaalsContact O-N 3.13Å; W710-S712 VanDerWaalsContact C-N 3.34Å; S712-K716 WeakPolarHBondContact O-CG 3.29Å; S712-K716 PolarHBondContact O-N 3.05Å
713E91.6Very high88.5Confident87 Ų8779 Ų7941%0.40738%0.379SS..Hα-helixtrans-69.8-42.3173.4-62.5-46.3128.500111.7T709 W710 Y715 K716T709-E713 WeakPolarHBondContact O-CG 3.35Å; T709-E713 PolarHBondContact O-N 3.18Å; W710-E713 PolarHBondContact O-N 3.5Å; E713-Y715 VanDerWaalsContact C-N 3.29Å; E713-Y715 PolarHBondContact O-N 2.92Å; E713-K716 WeakPolarHBondContact O-CB 3.25Å; E713-K716 PolarHBondContact O-N 3.44Å; E713-K716 VanDerWaalsContact O-N 3.17Å; E713-K716 IonicContact OE1-NZ 2.76Å; E713-K716 PolarHBondContact OE1-NZ 2.99Å; E713-K716 WeakPolarHBondContact OE2-CE 3.48Å; E713-K716 IonicContact OE2-NZ 2.99Å; E713-K716 PolarHBondContact OE2-NZ 2.87Å
714L91.4Very high86.7Confident54 Ų5478.1 Ų78.128%0.28339%0.388SS..Hα-helixtrans-60.7-37.3175.2-72.7175.1000112.3W710 I711 K716 L717 L735 V738W710-L714 WeakPolarHBondContact O-CB 3.28Å; W710-L714 VanDerWaalsContact O-CG 3.28Å; W710-L714 WeakPolarHBondContact O-CG 3.49Å; W710-L714 PolarHBondContact O-N 3.21Å; I711-L714 PolarHBondContact O-N 2.72Å; L714-K716 VanDerWaalsContact C-N 3.32Å; L714-K716 PolarHBondContact O-N 3.31Å; L714-L717 HydrophobicContact CD2-CD1 4.29Å; L714-L717 WeakPolarHBondContact O-CB 3.4Å; L714-L717 PolarHBondContact O-N 3.39Å; L714-L717 VanDerWaalsContact O-N 3.16Å; L714-L735 HydrophobicContact CD1-CD2 4.13Å; L714-V738 HydrophobicContact CB-CG1 4.49Å; L714-V738 HydrophobicContact CB-CG2 4.17Å; L714-V738 HydrophobicContact CD2-CG1 4.27Å
715Y89.1Confident85Confident58 Ų5878.8 Ų78.823%0.22739%0.394CS..Hα-helixtrans-60.2-38175.3175.4-104.7000112.9I711 E713 L717 L718 Q723 Q729 V734I711-Y715 WeakPolarHBondContact O-CB 3.44Å; I711-Y715 PolarHBondContact O-N 3.06Å; E713-Y715 VanDerWaalsContact C-N 3.29Å; E713-Y715 PolarHBondContact O-N 2.92Å; Y715-L717 PolarHBondContact O-N 3.44Å; Y715-L718 HydrophobicContact CD2-CD1 4.05Å; Y715-L718 WeakPolarHBondContact O-CB 3.3Å; Y715-L718 PolarHBondContact O-N 2.81Å; Y715-Q723 HydrophobicContact CE1-CB 4.34Å; Y715-Q723 HydrophobicContact CE1-CG 4.24Å; Y715-Q723 HydrophobicContact CE2-CB 4.13Å; Y715-Q723 HydrophobicContact CE2-CG 4.09Å; Y715-Q723 WeakPolarHBondContact OH-CA 3.4Å; Y715-Q723 PolarHBondContact OH-O 3.03Å; Y715-Q729 HydrophobicContact CD2-CG 4.24Å; Y715-Q729 HydrophobicContact CE2-CG 3.7Å; Y715-V734 HydrophobicContact CD2-CG1 4.37Å; Y715-V734 HydrophobicContact CD2-CG2 4.15Å
716K88.4Confident82.9Confident118 Ų11878.1 Ų78.151%0.51339%0.394SS..Hα-helixtrans-67.1-18.8177.2-62.1173.3-160.6168.70113.7S712 E713 L714 L718 Q723S712-K716 WeakPolarHBondContact O-CG 3.29Å; S712-K716 PolarHBondContact O-N 3.05Å; E713-K716 WeakPolarHBondContact O-CB 3.25Å; E713-K716 PolarHBondContact O-N 3.44Å; E713-K716 VanDerWaalsContact O-N 3.17Å; E713-K716 IonicContact OE1-NZ 2.76Å; E713-K716 PolarHBondContact OE1-NZ 2.99Å; E713-K716 WeakPolarHBondContact OE2-CE 3.48Å; E713-K716 IonicContact OE2-NZ 2.99Å; E713-K716 PolarHBondContact OE2-NZ 2.87Å; L714-K716 VanDerWaalsContact C-N 3.32Å; L714-K716 PolarHBondContact O-N 3.31Å; K716-L718 VanDerWaalsContact C-N 3.32Å; K716-Q723 PolarHBondContact O-NE2 3.2Å
717L89.6Confident81Confident100 Ų10080.2 Ų80.252%0.52441%0.409SS..THydrogen-bonded Turntrans-83.1-8.7179.5-59.3179000113.2L714 Y715 Y741L714-L717 HydrophobicContact CD2-CD1 4.29Å; L714-L717 WeakPolarHBondContact O-CB 3.4Å; L714-L717 PolarHBondContact O-N 3.39Å; L714-L717 VanDerWaalsContact O-N 3.16Å; Y715-L717 PolarHBondContact O-N 3.44Å; L717-Y741 WeakPolarHBondContact O-CE1 3.43Å
718L88.6Confident79.2Confident6 Ų687 Ų873%0.03143%0.432CS..SBendtrans-74.1151.8174.3-65.9176000111.4Y715 K716 E722 Q723 R737 V738 Y741Y715-L718 HydrophobicContact CD2-CD1 4.05Å; Y715-L718 WeakPolarHBondContact O-CB 3.3Å; Y715-L718 PolarHBondContact O-N 2.81Å; K716-L718 VanDerWaalsContact C-N 3.32Å; L718-E722 HydrophobicContact CB-CB 4.23Å; L718-Q723 HydrophobicContact CB-CG 3.88Å; L718-Q723 PolarHBondContact O-NE2 3.41Å; L718-R737 HydrophobicContact CD1-CB 3.93Å; L718-R737 HydrophobicContact CD2-CB 4.07Å; L718-V738 HydrophobicContact CD1-CG2 4.18Å; L718-V738 HydrophobicContact CD2-CB 4.33Å; L718-V738 HydrophobicContact CD2-CG2 3.66Å; L718-V738 HydrophobicContact CG-CG2 3.87Å; L718-Y741 HydrophobicContact CD2-CD1 4.35Å; L718-Y741 HydrophobicContact CD2-CG 4.31Å
719P86.9Confident78Confident32 Ų3286 Ų8621%0.20843%0.426CS..  trans-55.5149.6168.5-24.734.8000112.4D721 E722 Q723 Y741P719-D721 PolarHBondContact O-N 2.94Å; P719-D721 VanDerWaalsContact O-N 3.16Å; P719-E722 WeakPolarHBondContact O-CA 3.23Å; P719-E722 PolarHBondContact O-N 3.41Å; P719-Q723 PolarHBondContact O-N 3.06Å; P719-Y741 HydrophobicContact CG-CD2 3.7Å; P719-Y741 HydrophobicContact CG-CE2 3.45Å; P719-Y741 VanDerWaalsContact CG-CE2 3.45Å
720P77.1Confident77.5Confident91 Ų9185.4 Ų85.459%0.59142%0.424SS*.Hα-helixtrans-53.7-36.3176.6-27.936.2000113.5E722 Q723 T724P720-E722 PolarHBondContact O-N 3.48Å; P720-Q723 PolarHBondContact O-N 2.87Å; P720-T724 WeakPolarHBondContact O-CB 3.48Å; P720-T724 VanDerWaalsContact O-CG2 3.32Å; P720-T724 WeakPolarHBondContact O-CG2 3.31Å; P720-T724 PolarHBondContact O-N 3.25Å; P720-T724 PolarHBondContact O-OG1 3.26Å
721D71.8Confident77.1Confident112 Ų11282.6 Ų82.660%0.59942%0.417SS*.Hα-helixtrans-67.9-15177.5-51.1-44.9000113.8P719 K725P719-D721 PolarHBondContact O-N 2.94Å; P719-D721 VanDerWaalsContact O-N 3.16Å; D721-K725 WeakPolarHBondContact O-CD 3.23Å; D721-K725 WeakPolarHBondContact O-CE 3.27Å; D721-K725 WeakPolarHBondContact O-CG 3.35Å; D721-K725 PolarHBondContact O-NZ 3.5Å
722E69.3Low77Confident51 Ų5183.9 Ų83.924%0.23844%0.435CS..Hα-helixtrans-103.1-25.5174.6-67.3-171.4-170.300112.3L718 P719 P720 R737L718-E722 HydrophobicContact CB-CB 4.23Å; P719-E722 WeakPolarHBondContact O-CA 3.23Å; P719-E722 PolarHBondContact O-N 3.41Å; P720-E722 PolarHBondContact O-N 3.48Å; E722-R737 PolarHBondContact O-NH1 3.32Å
723Q66.4Low77Confident50 Ų5084.2 Ų84.223%0.23443%0.431CS..Hα-helixtrans-71.6-51.4170.6-66.1-170.944.800111.4Y715 K716 L718 P719 P720 K725 S726Y715-Q723 HydrophobicContact CE1-CB 4.34Å; Y715-Q723 HydrophobicContact CE1-CG 4.24Å; Y715-Q723 HydrophobicContact CE2-CB 4.13Å; Y715-Q723 HydrophobicContact CE2-CG 4.09Å; Y715-Q723 WeakPolarHBondContact OH-CA 3.4Å; Y715-Q723 PolarHBondContact OH-O 3.03Å; K716-Q723 PolarHBondContact O-NE2 3.2Å; L718-Q723 HydrophobicContact CB-CG 3.88Å; L718-Q723 PolarHBondContact O-NE2 3.41Å; P719-Q723 PolarHBondContact O-N 3.06Å; P720-Q723 PolarHBondContact O-N 2.87Å; Q723-K725 PolarHBondContact O-N 2.55Å; Q723-S726 PolarHBondContact O-N 3.25Å
724T60.6Low76.9Confident109 Ų10980.4 Ų80.467%0.66941%0.414SS*.THydrogen-bonded Turntrans-54.1-25.5-176.546.30000114.9P720 S726P720-T724 WeakPolarHBondContact O-CB 3.48Å; P720-T724 VanDerWaalsContact O-CG2 3.32Å; P720-T724 WeakPolarHBondContact O-CG2 3.31Å; P720-T724 PolarHBondContact O-N 3.25Å; P720-T724 PolarHBondContact O-OG1 3.26Å; T724-S726 PolarHBondContact O-N 3.27Å; T724-S726 VanDerWaalsContact O-N 3.13Å
725K60Low76.9Confident136 Ų13681.5 Ų81.559%0.59142%0.419SS*.THydrogen-bonded Turntrans-74.77.6-175.1-70175-178.2134.10116.1D721 Q723D721-K725 WeakPolarHBondContact O-CD 3.23Å; D721-K725 WeakPolarHBondContact O-CE 3.27Å; D721-K725 WeakPolarHBondContact O-CG 3.35Å; D721-K725 PolarHBondContact O-NZ 3.5Å; Q723-K725 PolarHBondContact O-N 2.55Å
726S52.6Low77Confident46 Ų4684.7 Ų84.732%0.32243%0.434SS..  trans-179.6142.6130.265.60000112Q723 T724 Y728 Q729Q723-S726 PolarHBondContact O-N 3.25Å; T724-S726 PolarHBondContact O-N 3.27Å; T724-S726 VanDerWaalsContact O-N 3.13Å; S726-Y728 PolarHBondContact O-N 2.79Å; S726-Q729 WeakPolarHBondContact O-CG 3.25Å; S726-Q729 PolarHBondContact OG-NE2 2.92Å
727Q56.7Low77.1Confident176 Ų17681.4 Ų81.482%0.82242%0.419SS*.SBendtrans-67.60176-165.4168.2-20.500114.2
728Y57.7Low77.3Confident209 Ų20977 Ų7782%0.8240%0.396SS*.SBendtrans-137.266179.2-69.6-84.8000110.7S726S726-Y728 PolarHBondContact O-N 2.79Å
729Q69.4Low77.5Confident35 Ų3580 Ų8016%0.16442%0.417CS..  trans-71.1130.2172.9-61.8-80.2-85.100110.8Y715 S726 I733 V734 R737Y715-Q729 HydrophobicContact CD2-CG 4.24Å; Y715-Q729 HydrophobicContact CE2-CG 3.7Å; S726-Q729 WeakPolarHBondContact O-CG 3.25Å; S726-Q729 PolarHBondContact OG-NE2 2.92Å; Q729-I733 VanDerWaalsContact OE1-CG2 3.29Å; Q729-V734 HydrophobicContact CB-CG2 3.42Å; Q729-V734 VanDerWaalsContact CB-CG2 3.42Å; Q729-V734 HydrophobicContact CG-CG2 4.17Å; Q729-R737 VanDerWaalsContact OE1-CZ 3.31Å
730S83.5Confident77.8Confident64 Ų6482.7 Ų82.745%0.44843%0.427SS..  trans-70.2152.5166.5910000110G732 I733 V734S730-G732 PolarHBondContact O-N 3.35Å; S730-G732 VanDerWaalsContact O-N 3.11Å; S730-I733 PolarHBondContact O-N 2.79Å; S730-I733 WeakPolarHBondContact OG-CG1 3.29Å; S730-I733 PolarHBondContact OG-N 3.41Å; S730-V734 PolarHBondContact O-N 3.34Å
731K88Confident78.6Confident113 Ų11381.5 Ų81.549%0.49141%0.411SS..Hα-helixtrans-53.7-35.7-179.6-61.4-176.5-170.1-175.60112.7N708 I711 L735N708-K731 WeakPolarHBondContact OD1-CE 3.47Å; N708-K731 PolarHBondContact OD1-NZ 3.38Å; I711-K731 HydrophobicContact CD1-CB 4.13Å; I711-K731 HydrophobicContact CD1-CD 3.86Å; I711-K731 HydrophobicContact CD1-CG 4.04Å; K731-L735 WeakPolarHBondContact O-CB 3.12Å; K731-L735 VanDerWaalsContact O-CG 3.27Å; K731-L735 WeakPolarHBondContact O-CG 3.45Å; K731-L735 PolarHBondContact O-N 3.14Å; K731-L735 VanDerWaalsContact O-N 3.13Å
732G89.9Confident79.6Confident48 Ų4881 Ų8150%0.49540%0.404SS..Hα-helixtrans-69.5-36.2176.100000113.4S730 K736S730-G732 PolarHBondContact O-N 3.35Å; S730-G732 VanDerWaalsContact O-N 3.11Å; G732-K736 VanDerWaalsContact O-CB 3.25Å; G732-K736 WeakPolarHBondContact O-CB 3.22Å; G732-K736 PolarHBondContact O-N 2.91Å
733I88.4Confident80.9Confident74 Ų7484.6 Ų84.638%0.37942%0.42SS..Hα-helixtrans-70.8-42.7177.4-59.7165.9000110.4Q729 S730 K736 R737Q729-I733 VanDerWaalsContact OE1-CG2 3.29Å; S730-I733 PolarHBondContact O-N 2.79Å; S730-I733 WeakPolarHBondContact OG-CG1 3.29Å; S730-I733 PolarHBondContact OG-N 3.41Å; I733-K736 PolarHBondContact O-N 3.21Å; I733-R737 PolarHBondContact O-N 2.87Å
734V89.8Confident82.2Confident7 Ų787 Ų874%0.04244%0.435CS..Hα-helixtrans-56.8-53.2174.1179.40000110.3I711 Y715 Q729 S730 K736 R737 V738I711-V734 HydrophobicContact CG2-CB 4.13Å; I711-V734 HydrophobicContact CG2-CG1 3.99Å; I711-V734 HydrophobicContact CG2-CG2 4.34Å; Y715-V734 HydrophobicContact CD2-CG1 4.37Å; Y715-V734 HydrophobicContact CD2-CG2 4.15Å; Q729-V734 HydrophobicContact CB-CG2 3.42Å; Q729-V734 VanDerWaalsContact CB-CG2 3.42Å; Q729-V734 HydrophobicContact CG-CG2 4.17Å; S730-V734 PolarHBondContact O-N 3.34Å; V734-K736 VanDerWaalsContact C-N 3.32Å; V734-K736 PolarHBondContact O-N 3Å; V734-R737 PolarHBondContact O-N 3.38Å; V734-V738 HydrophobicContact CG1-CG2 4.25Å; V734-V738 WeakPolarHBondContact O-CB 3.42Å; V734-V738 WeakPolarHBondContact O-CG2 3.4Å; V734-V738 PolarHBondContact O-N 3.49Å
735L91.7Very high83.8Confident76 Ų7684.1 Ų84.140%0.39842%0.417SS..Hα-helixtrans-61-40.9-179.8-70.8170.9000112L714 K731 V738 C739L714-L735 HydrophobicContact CD1-CD2 4.13Å; K731-L735 WeakPolarHBondContact O-CB 3.12Å; K731-L735 VanDerWaalsContact O-CG 3.27Å; K731-L735 WeakPolarHBondContact O-CG 3.45Å; K731-L735 PolarHBondContact O-N 3.14Å; K731-L735 VanDerWaalsContact O-N 3.13Å; L735-V738 PolarHBondContact O-N 3.07Å; L735-C739 PolarHBondContact O-N 3.44Å; L735-C739 PolarHBondContact O-SG 3.09Å; L735-C739 VanDerWaalsContact O-SG 3.34Å
736K91.6Very high85.5Confident125 Ų12581 Ų8154%0.54341%0.407SS..Hα-helixtrans-60.5-53.1176179.2177.3166.8177.10111.5G732 I733 V734 V738 C739 E740G732-K736 VanDerWaalsContact O-CB 3.25Å; G732-K736 WeakPolarHBondContact O-CB 3.22Å; G732-K736 PolarHBondContact O-N 2.91Å; I733-K736 PolarHBondContact O-N 3.21Å; V734-K736 VanDerWaalsContact C-N 3.32Å; V734-K736 PolarHBondContact O-N 3Å; K736-V738 VanDerWaalsContact C-N 3.31Å; K736-V738 PolarHBondContact O-N 3.46Å; K736-C739 WeakPolarHBondContact O-CB 3.49Å; K736-C739 PolarHBondContact O-N 2.94Å; K736-C739 VanDerWaalsContact O-N 3.14Å; K736-E740 WeakPolarHBondContact CE-OE1 3.15Å; K736-E740 VanDerWaalsContact CE-OE2 3.27Å; K736-E740 WeakPolarHBondContact CE-OE2 3.39Å; K736-E740 HydrophobicContact CG-CG 4.41Å; K736-E740 IonicContact NZ-OE1 2.79Å; K736-E740 PolarHBondContact NZ-OE1 3.09Å; K736-E740 WeakPolarHBondContact O-CG 3.36Å; K736-E740 PolarHBondContact O-N 3.4Å
737R90Very high87.5Confident49 Ų4982.2 Ų82.219%0.18542%0.415CS..Hα-helixtrans-60-40.9178.9-73.3-173.6-179.3162.91.3111.9L718 E722 Q729 I733 V734 C739 E740 Y741L718-R737 HydrophobicContact CD1-CB 3.93Å; L718-R737 HydrophobicContact CD2-CB 4.07Å; E722-R737 PolarHBondContact O-NH1 3.32Å; Q729-R737 VanDerWaalsContact OE1-CZ 3.31Å; I733-R737 PolarHBondContact O-N 2.87Å; V734-R737 PolarHBondContact O-N 3.38Å; R737-C739 VanDerWaalsContact C-N 3.32Å; R737-C739 PolarHBondContact O-N 3.44Å; R737-E740 PolarHBondContact O-N 2.98Å; R737-Y741 VanDerWaalsContact O-CB 3.29Å; R737-Y741 WeakPolarHBondContact O-CB 3.36Å; R737-Y741 PolarHBondContact O-N 2.86Å
738V93.3Very high89.3Confident7 Ų779.7 Ų79.74%0.04241%0.405CS..Hα-helixtrans-63.1-38.3177.4170.20000111.4L714 L718 V734 L735 K736 F742L714-V738 HydrophobicContact CB-CG1 4.49Å; L714-V738 HydrophobicContact CB-CG2 4.17Å; L714-V738 HydrophobicContact CD2-CG1 4.27Å; L718-V738 HydrophobicContact CD1-CG2 4.18Å; L718-V738 HydrophobicContact CD2-CB 4.33Å; L718-V738 HydrophobicContact CD2-CG2 3.66Å; L718-V738 HydrophobicContact CG-CG2 3.87Å; V734-V738 HydrophobicContact CG1-CG2 4.25Å; V734-V738 WeakPolarHBondContact O-CB 3.42Å; V734-V738 WeakPolarHBondContact O-CG2 3.4Å; V734-V738 PolarHBondContact O-N 3.49Å; L735-V738 PolarHBondContact O-N 3.07Å; K736-V738 VanDerWaalsContact C-N 3.31Å; K736-V738 PolarHBondContact O-N 3.46Å; V738-F742 HydrophobicContact CG1-CD2 3.73Å; V738-F742 HydrophobicContact CG1-CE2 3.42Å; V738-F742 VanDerWaalsContact CG1-CE2 3.42Å; V738-F742 HydrophobicContact CG1-CZ 4.39Å; V738-F742 WeakPolarHBondContact O-CD2 3.46Å; V738-F742 WeakPolarHBondContact O-CG 3.47Å; V738-F742 PolarHBondContact O-N 3.02Å
739C92.3Very high91.1Very high69 Ų6973.8 Ų73.847%0.46639%0.387SS..Hα-helixtrans-67.5-43.8171.9-71.10000112.9L735 K736 R737 F742 Q743L735-C739 PolarHBondContact O-N 3.44Å; L735-C739 PolarHBondContact O-SG 3.09Å; L735-C739 VanDerWaalsContact O-SG 3.34Å; K736-C739 WeakPolarHBondContact O-CB 3.49Å; K736-C739 PolarHBondContact O-N 2.94Å; K736-C739 VanDerWaalsContact O-N 3.14Å; R737-C739 VanDerWaalsContact C-N 3.32Å; R737-C739 PolarHBondContact O-N 3.44Å; C739-F742 PolarHBondContact O-N 3.47Å; C739-Q743 WeakPolarHBondContact O-CB 3.15Å; C739-Q743 VanDerWaalsContact O-CG 3.23Å; C739-Q743 WeakPolarHBondContact O-CG 3.5Å; C739-Q743 PolarHBondContact O-N 3.34Å
740E93.1Very high92.4Very high90 Ų9078 Ų7842%0.42141%0.405SS..Hα-helixtrans-62.5-45.2177.5-71.3172.3141.500111.2K736 R737 Q743 N744K736-E740 WeakPolarHBondContact CE-OE1 3.15Å; K736-E740 VanDerWaalsContact CE-OE2 3.27Å; K736-E740 WeakPolarHBondContact CE-OE2 3.39Å; K736-E740 HydrophobicContact CG-CG 4.41Å; K736-E740 IonicContact NZ-OE1 2.79Å; K736-E740 PolarHBondContact NZ-OE1 3.09Å; K736-E740 WeakPolarHBondContact O-CG 3.36Å; K736-E740 PolarHBondContact O-N 3.4Å; R737-E740 PolarHBondContact O-N 2.98Å; E740-Q743 PolarHBondContact O-N 3.25Å; E740-N744 WeakPolarHBondContact O-CB 3.22Å; E740-N744 PolarHBondContact O-N 3.22Å
741Y94.2Very high93Very high65 Ų6578 Ų7826%0.25541%0.408SS..Hα-helixtrans-60.8-48.7175.5175.4-118.2000112.3L717 L718 P719 R737 Q743 N744 V745L717-Y741 WeakPolarHBondContact O-CE1 3.43Å; L718-Y741 HydrophobicContact CD2-CD1 4.35Å; L718-Y741 HydrophobicContact CD2-CG 4.31Å; P719-Y741 HydrophobicContact CG-CD2 3.7Å; P719-Y741 HydrophobicContact CG-CE2 3.45Å; P719-Y741 VanDerWaalsContact CG-CE2 3.45Å; R737-Y741 VanDerWaalsContact O-CB 3.29Å; R737-Y741 WeakPolarHBondContact O-CB 3.36Å; R737-Y741 PolarHBondContact O-N 2.86Å; Y741-Q743 VanDerWaalsContact C-N 3.33Å; Y741-Q743 PolarHBondContact O-N 3.46Å; Y741-N744 PolarHBondContact O-N 2.9Å; Y741-V745 HydrophobicContact CD2-CG2 3.89Å; Y741-V745 HydrophobicContact CE1-CG2 4.28Å; Y741-V745 HydrophobicContact CE2-CG2 3.44Å; Y741-V745 VanDerWaalsContact CE2-CG2 3.44Å; Y741-V745 HydrophobicContact CG-CG2 4.45Å; Y741-V745 WeakPolarHBondContact O-CB 3.38Å; Y741-V745 WeakPolarHBondContact O-CG2 3.5Å; Y741-V745 PolarHBondContact O-N 2.83Å
742F94.1Very high93.3Very high103 Ų10374.9 Ų74.945%0.45240%0.404SS..Hα-helixtrans-64.3-35.7177.4-74.6-46.4000112.9V738 C739 D746V738-F742 HydrophobicContact CG1-CD2 3.73Å; V738-F742 HydrophobicContact CG1-CE2 3.42Å; V738-F742 VanDerWaalsContact CG1-CE2 3.42Å; V738-F742 HydrophobicContact CG1-CZ 4.39Å; V738-F742 WeakPolarHBondContact O-CD2 3.46Å; V738-F742 WeakPolarHBondContact O-CG 3.47Å; V738-F742 PolarHBondContact O-N 3.02Å; C739-F742 PolarHBondContact O-N 3.47Å; F742-D746 VanDerWaalsContact O-CB 3.29Å; F742-D746 WeakPolarHBondContact O-CB 3.19Å; F742-D746 PolarHBondContact O-N 2.9Å
743Q94.7Very high93.6Very high126 Ų12677 Ų7759%0.58940%0.404SS*.Hα-helixtrans-67.1-39.9174.4-72.7170.22700111.9C739 E740 Y741 S747C739-Q743 WeakPolarHBondContact O-CB 3.15Å; C739-Q743 VanDerWaalsContact O-CG 3.23Å; C739-Q743 WeakPolarHBondContact O-CG 3.5Å; C739-Q743 PolarHBondContact O-N 3.34Å; E740-Q743 PolarHBondContact O-N 3.25Å; Y741-Q743 VanDerWaalsContact C-N 3.33Å; Y741-Q743 PolarHBondContact O-N 3.46Å; Q743-S747 VanDerWaalsContact O-CB 3.31Å; Q743-S747 WeakPolarHBondContact O-CB 3.48Å; Q743-S747 PolarHBondContact O-N 2.87Å; Q743-S747 PolarHBondContact O-OG 3Å
744N94.5Very high93.9Very high100 Ų10077.3 Ų77.354%0.53541%0.413SS..Hα-helixtrans-64.5-48.1174.5-172.721.7000111.4E740 Y741 D746 S747 M748E740-N744 WeakPolarHBondContact O-CB 3.22Å; E740-N744 PolarHBondContact O-N 3.22Å; Y741-N744 PolarHBondContact O-N 2.9Å; N744-D746 PolarHBondContact O-N 2.96Å; N744-S747 PolarHBondContact O-N 3.21Å; N744-M748 VanDerWaalsContact O-CB 3.32Å; N744-M748 WeakPolarHBondContact O-CB 3.44Å; N744-M748 PolarHBondContact O-N 2.97Å
745V95.1Very high94.2Very high49 Ų4979 Ų7930%0.29743%0.428SS..Hα-helixtrans-62.5-41.7178.3170.70000112.1Y741 L749Y741-V745 HydrophobicContact CD2-CG2 3.89Å; Y741-V745 HydrophobicContact CE1-CG2 4.28Å; Y741-V745 HydrophobicContact CE2-CG2 3.44Å; Y741-V745 VanDerWaalsContact CE2-CG2 3.44Å; Y741-V745 HydrophobicContact CG-CG2 4.45Å; Y741-V745 WeakPolarHBondContact O-CB 3.38Å; Y741-V745 WeakPolarHBondContact O-CG2 3.5Å; Y741-V745 PolarHBondContact O-N 2.83Å; V745-L749 WeakPolarHBondContact O-CB 3.47Å; V745-L749 PolarHBondContact O-N 3.46Å
746D94.4Very high94.4Very high70 Ų7080 Ų8037%0.37444%0.436SS..Hα-helixtrans-65.1-41.5174.6175.353.8000112F742 N744 L749 K750F742-D746 VanDerWaalsContact O-CB 3.29Å; F742-D746 WeakPolarHBondContact O-CB 3.19Å; F742-D746 PolarHBondContact O-N 2.9Å; N744-D746 PolarHBondContact O-N 2.96Å; D746-L749 PolarHBondContact O-N 3.26Å; D746-K750 VanDerWaalsContact CG-NZ 3.31Å; D746-K750 WeakPolarHBondContact O-CB 3.32Å; D746-K750 WeakPolarHBondContact O-CD 3.41Å; D746-K750 VanDerWaalsContact O-CG 3.28Å; D746-K750 WeakPolarHBondContact O-CG 3.46Å; D746-K750 PolarHBondContact O-N 3.24Å; D746-K750 WeakPolarHBondContact OD1-CE 3.27Å; D746-K750 IonicContact OD1-NZ 2.76Å; D746-K750 PolarHBondContact OD1-NZ 2.97Å; D746-K750 WeakPolarHBondContact OD2-CE 3.48Å; D746-K750 IonicContact OD2-NZ 3.33Å; D746-K750 PolarHBondContact OD2-NZ 3.27Å
747S94.8Very high94.6Very high71 Ų7178.1 Ų78.150%0.49743%0.429SS..Hα-helixtrans-64.6-44.5175.7-58.60000112.1Q743 N744 K750 A751Q743-S747 VanDerWaalsContact O-CB 3.31Å; Q743-S747 WeakPolarHBondContact O-CB 3.48Å; Q743-S747 PolarHBondContact O-N 2.87Å; Q743-S747 PolarHBondContact O-OG 3Å; N744-S747 PolarHBondContact O-N 3.21Å; S747-K750 PolarHBondContact O-N 3.3Å; S747-A751 PolarHBondContact O-N 3.29Å
748M94.5Very high94.9Very high124 Ų12482.1 Ų82.161%0.61145%0.45SS*.Hα-helixtrans-65.4-39.5176.2-174-179.169.300111.6N744 A751 A752N744-M748 VanDerWaalsContact O-CB 3.32Å; N744-M748 WeakPolarHBondContact O-CB 3.44Å; N744-M748 PolarHBondContact O-N 2.97Å; M748-A751 PolarHBondContact O-N 3.15Å; M748-A752 VanDerWaalsContact O-CB 3.28Å; M748-A752 WeakPolarHBondContact O-CB 3.2Å; M748-A752 PolarHBondContact O-N 3.46Å
749L96.1Very high95Very high84 Ų8486.7 Ų86.744%0.4447%0.473SS..Hα-helixtrans-65.9-39.2175.8-179.761.2000111.6V745 D746 N753V745-L749 WeakPolarHBondContact O-CB 3.47Å; V745-L749 PolarHBondContact O-N 3.46Å; D746-L749 PolarHBondContact O-N 3.26Å; L749-N753 WeakPolarHBondContact O-CB 3.34Å; L749-N753 PolarHBondContact O-N 2.96Å; L749-N753 PolarHBondContact O-ND2 3.23Å; L749-N753 VanDerWaalsContact O-ND2 3.14Å
750K96Very high95.2Very high124 Ų12490.4 Ų90.454%0.53948%0.477SS..Hα-helixtrans-63.7-45.7173-75.5163.4177.8167.30111.8D746 S747 N753 S754D746-K750 VanDerWaalsContact CG-NZ 3.31Å; D746-K750 WeakPolarHBondContact O-CB 3.32Å; D746-K750 WeakPolarHBondContact O-CD 3.41Å; D746-K750 VanDerWaalsContact O-CG 3.28Å; D746-K750 WeakPolarHBondContact O-CG 3.46Å; D746-K750 PolarHBondContact O-N 3.24Å; D746-K750 WeakPolarHBondContact OD1-CE 3.27Å; D746-K750 IonicContact OD1-NZ 2.76Å; D746-K750 PolarHBondContact OD1-NZ 2.97Å; D746-K750 WeakPolarHBondContact OD2-CE 3.48Å; D746-K750 IonicContact OD2-NZ 3.33Å; D746-K750 PolarHBondContact OD2-NZ 3.27Å; S747-K750 PolarHBondContact O-N 3.3Å; K750-N753 PolarHBondContact O-N 3.32Å; K750-S754 WeakPolarHBondContact O-CB 3.46Å; K750-S754 PolarHBondContact O-N 3.2Å
751A95.5Very high95.4Very high63 Ų6389.2 Ų89.252%0.52148%0.476SS..Hα-helixtrans-61.6-45.7175.300000112S747 M748 S754 A755S747-A751 PolarHBondContact O-N 3.29Å; M748-A751 PolarHBondContact O-N 3.15Å; A751-S754 PolarHBondContact O-N 3.35Å; A751-A755 PolarHBondContact O-N 2.93Å
752A95.5Very high95.5Very high48 Ų4891 Ų9140%0.39749%0.487SS..Hα-helixtrans-62.7-44.2177.300000112.3M748 S754 A755 V756M748-A752 VanDerWaalsContact O-CB 3.28Å; M748-A752 WeakPolarHBondContact O-CB 3.2Å; M748-A752 PolarHBondContact O-N 3.46Å; A752-S754 VanDerWaalsContact C-N 3.34Å; A752-S754 PolarHBondContact O-N 2.73Å; A752-A755 PolarHBondContact O-N 3.24Å; A752-V756 WeakPolarHBondContact O-CB 3.49Å; A752-V756 VanDerWaalsContact O-CG2 3.3Å; A752-V756 WeakPolarHBondContact O-CG2 3.06Å; A752-V756 PolarHBondContact O-N 2.92Å
753N95.9Very high95.6Very high94 Ų9489.4 Ų89.450%0.50348%0.483SS..Hα-helixtrans-62.9-39.4175-73.2-28.9000111.9L749 K750 V756 E757L749-N753 WeakPolarHBondContact O-CB 3.34Å; L749-N753 PolarHBondContact O-N 2.96Å; L749-N753 PolarHBondContact O-ND2 3.23Å; L749-N753 VanDerWaalsContact O-ND2 3.14Å; K750-N753 PolarHBondContact O-N 3.32Å; N753-V756 PolarHBondContact O-N 2.91Å; N753-E757 WeakPolarHBondContact O-CB 3.28Å; N753-E757 PolarHBondContact O-N 2.85Å
754S95.8Very high95.6Very high80 Ų8086.3 Ų86.356%0.55948%0.476SS*.Hα-helixtrans-64.3-41.3175.5-167.30000112.1K750 A751 A752 E757 Q758K750-S754 WeakPolarHBondContact O-CB 3.46Å; K750-S754 PolarHBondContact O-N 3.2Å; A751-S754 PolarHBondContact O-N 3.35Å; A752-S754 VanDerWaalsContact C-N 3.34Å; A752-S754 PolarHBondContact O-N 2.73Å; S754-E757 PolarHBondContact O-N 2.89Å; S754-Q758 WeakPolarHBondContact O-CB 3.41Å; S754-Q758 PolarHBondContact O-N 3.16Å
755A95.6Very high95.8Very high43 Ų4386.4 Ų86.436%0.35548%0.475SS..Hα-helixtrans-68-40.8176.600000111.9A751 A752 Q758 I759A751-A755 PolarHBondContact O-N 2.93Å; A752-A755 PolarHBondContact O-N 3.24Å; A755-Q758 PolarHBondContact O-N 3.4Å; A755-I759 WeakPolarHBondContact O-CB 3.45Å; A755-I759 WeakPolarHBondContact O-CD1 3.44Å; A755-I759 VanDerWaalsContact O-CG1 3.25Å; A755-I759 WeakPolarHBondContact O-CG1 3.28Å; A755-I759 PolarHBondContact O-N 3.28Å
756V96.2Very high95.8Very high95 Ų9588.5 Ų88.558%0.57648%0.484SS*.Hα-helixtrans-61.7-42.9174.2167.10000111.2A752 N753 I759 R760A752-V756 WeakPolarHBondContact O-CB 3.49Å; A752-V756 VanDerWaalsContact O-CG2 3.3Å; A752-V756 WeakPolarHBondContact O-CG2 3.06Å; A752-V756 PolarHBondContact O-N 2.92Å; N753-V756 PolarHBondContact O-N 2.91Å; V756-I759 PolarHBondContact O-N 3.42Å; V756-R760 WeakPolarHBondContact O-CB 3.39Å; V756-R760 PolarHBondContact O-N 3.04Å
757E95.7Very high95.9Very high86 Ų8693.2 Ų93.240%0.40250%0.496SS..Hα-helixtrans-69.1-39.6178-175.359.3-165.600112.1N753 S754 R760 V761N753-E757 WeakPolarHBondContact O-CB 3.28Å; N753-E757 PolarHBondContact O-N 2.85Å; S754-E757 PolarHBondContact O-N 2.89Å; E757-R760 WeakPolarHBondContact O-CB 3.46Å; E757-R760 PolarHBondContact O-N 3.32Å; E757-R760 IonicContact OE1-CZ 3.88Å; E757-R760 IonicContact OE1-NE 3.38Å; E757-R760 PolarHBondContact OE1-NE 2.82Å; E757-R760 IonicContact OE1-NH2 3.61Å; E757-R760 PolarHBondContact OE1-NH2 2.68Å; E757-R760 IonicContact OE2-CZ 3.41Å; E757-R760 IonicContact OE2-NE 3.6Å; E757-R760 PolarHBondContact OE2-NE 3.16Å; E757-R760 IonicContact OE2-NH2 2.68Å; E757-V761 WeakPolarHBondContact O-CG2 3.39Å; E757-V761 PolarHBondContact O-N 3.01Å
758Q96Very high96Very high133 Ų13395.5 Ų95.562%0.62150%0.499SS*.Hα-helixtrans-58-49.1171.9-179.9178.5-9.900111.4S754 A755 R760 V761 E762S754-Q758 WeakPolarHBondContact O-CB 3.41Å; S754-Q758 PolarHBondContact O-N 3.16Å; A755-Q758 PolarHBondContact O-N 3.4Å; Q758-R760 VanDerWaalsContact C-N 3.29Å; Q758-R760 PolarHBondContact O-N 3.28Å; Q758-V761 PolarHBondContact O-N 3.13Å; Q758-E762 WeakPolarHBondContact O-CB 2.98Å; Q758-E762 PolarHBondContact O-N 3.29Å
759I96.1Very high96.1Very high104 Ų10494.3 Ų94.353%0.53349%0.488SS..Hα-helixtrans-63.5-35.5176.8-68.6165.5000110.9A755 V756 N763A755-I759 WeakPolarHBondContact O-CB 3.45Å; A755-I759 WeakPolarHBondContact O-CD1 3.44Å; A755-I759 VanDerWaalsContact O-CG1 3.25Å; A755-I759 WeakPolarHBondContact O-CG1 3.28Å; A755-I759 PolarHBondContact O-N 3.28Å; V756-I759 PolarHBondContact O-N 3.42Å; I759-N763 WeakPolarHBondContact O-CB 3.15Å; I759-N763 PolarHBondContact O-N 3.38Å
760R96.3Very high96.1Very high146 Ų14693.6 Ų93.655%0.55149%0.487SS*.Hα-helixtrans-64.8-43.5176.3-165.4-173.673.378.52.8111.7V756 E757 Q758 S764V756-R760 WeakPolarHBondContact O-CB 3.39Å; V756-R760 PolarHBondContact O-N 3.04Å; E757-R760 WeakPolarHBondContact O-CB 3.46Å; E757-R760 PolarHBondContact O-N 3.32Å; E757-R760 IonicContact OE1-CZ 3.88Å; E757-R760 IonicContact OE1-NE 3.38Å; E757-R760 PolarHBondContact OE1-NE 2.82Å; E757-R760 IonicContact OE1-NH2 3.61Å; E757-R760 PolarHBondContact OE1-NH2 2.68Å; E757-R760 IonicContact OE2-CZ 3.41Å; E757-R760 IonicContact OE2-NE 3.6Å; E757-R760 PolarHBondContact OE2-NE 3.16Å; E757-R760 IonicContact OE2-NH2 2.68Å; Q758-R760 VanDerWaalsContact C-N 3.29Å; Q758-R760 PolarHBondContact O-N 3.28Å; R760-S764 PolarHBondContact O-N 3.23Å; R760-S764 VanDerWaalsContact O-N 3.11Å
761V97Very high96.1Very high65 Ų6593.4 Ų93.439%0.39449%0.488SS..Hα-helixtrans-64.8-50.3174.9171.90000110.4E757 Q758 N763 S764 I765E757-V761 WeakPolarHBondContact O-CG2 3.39Å; E757-V761 PolarHBondContact O-N 3.01Å; Q758-V761 PolarHBondContact O-N 3.13Å; V761-N763 VanDerWaalsContact C-N 3.35Å; V761-N763 PolarHBondContact O-N 3.5Å; V761-S764 WeakPolarHBondContact O-CB 3.47Å; V761-S764 PolarHBondContact O-N 3Å; V761-S764 PolarHBondContact O-OG 2.92Å; V761-I765 HydrophobicContact CG1-CD1 3.9Å; V761-I765 WeakPolarHBondContact O-CG1 3.49Å; V761-I765 PolarHBondContact O-N 3.21Å
762E96.6Very high96.2Very high104 Ų10493.3 Ų93.349%0.48648%0.477SS..Hα-helixtrans-56.8-46.2177.1-173.5-177.4173.100111.9Q758 S764 I765 L766Q758-E762 WeakPolarHBondContact O-CB 2.98Å; Q758-E762 PolarHBondContact O-N 3.29Å; E762-S764 VanDerWaalsContact C-N 3.26Å; E762-S764 PolarHBondContact O-N 3.27Å; E762-I765 PolarHBondContact O-N 3.07Å; E762-L766 HydrophobicContact CG-CD1 3.99Å; E762-L766 HydrophobicContact CG-CG 4.41Å; E762-L766 WeakPolarHBondContact O-CB 3.49Å; E762-L766 WeakPolarHBondContact O-CG 3.48Å; E762-L766 PolarHBondContact O-N 3.06Å
763N95.1Very high96.2Very high69 Ų6995 Ų9537%0.36948%0.478SS..Hα-helixtrans-63.9-31.2178.1-158.6-105.4000112.4I759 V761 R767I759-N763 WeakPolarHBondContact O-CB 3.15Å; I759-N763 PolarHBondContact O-N 3.38Å; V761-N763 VanDerWaalsContact C-N 3.35Å; V761-N763 PolarHBondContact O-N 3.5Å; N763-R767 WeakPolarHBondContact O-CB 3.46Å; N763-R767 WeakPolarHBondContact O-CG 3.46Å; N763-R767 PolarHBondContact O-N 3.08Å; N763-R767 PolarHBondContact OD1-NE 3.13Å; N763-R767 PolarHBondContact OD1-NH2 2.94Å
764S95.8Very high96.2Very high61 Ų6194.7 Ų94.743%0.42747%0.474SS..Hα-helixtrans-70.4-41.8173.775.10000112.5R760 V761 E762 R767 Q768R760-S764 PolarHBondContact O-N 3.23Å; R760-S764 VanDerWaalsContact O-N 3.11Å; V761-S764 WeakPolarHBondContact O-CB 3.47Å; V761-S764 PolarHBondContact O-N 3Å; V761-S764 PolarHBondContact O-OG 2.92Å; E762-S764 VanDerWaalsContact C-N 3.26Å; E762-S764 PolarHBondContact O-N 3.27Å; S764-R767 PolarHBondContact O-N 2.84Å; S764-Q768 PolarHBondContact O-N 3.4Å
765I97Very high96.2Very high101 Ų10196 Ų9652%0.51847%0.471SS..Hα-helixtrans-65.7-43.7176.5-65166.5000110.5V761 E762 R767 Q768 R769V761-I765 HydrophobicContact CG1-CD1 3.9Å; V761-I765 WeakPolarHBondContact O-CG1 3.49Å; V761-I765 PolarHBondContact O-N 3.21Å; E762-I765 PolarHBondContact O-N 3.07Å; I765-R767 PolarHBondContact O-N 2.99Å; I765-Q768 WeakPolarHBondContact O-CB 3.44Å; I765-Q768 PolarHBondContact O-N 2.92Å; I765-R769 PolarHBondContact O-N 3.11Å
766L96.2Very high96.3Very high93 Ų9397.9 Ų97.949%0.48747%0.473SS..Hα-helixtrans-62.6-40.6175.9-70.9172.3000111.8E762 R769 V770E762-L766 HydrophobicContact CG-CD1 3.99Å; E762-L766 HydrophobicContact CG-CG 4.41Å; E762-L766 WeakPolarHBondContact O-CB 3.49Å; E762-L766 WeakPolarHBondContact O-CG 3.48Å; E762-L766 PolarHBondContact O-N 3.06Å; L766-R769 PolarHBondContact O-N 3.46Å; L766-V770 WeakPolarHBondContact O-CB 3.29Å; L766-V770 VanDerWaalsContact O-CG2 3.29Å; L766-V770 WeakPolarHBondContact O-CG2 3.4Å; L766-V770 PolarHBondContact O-N 3.37Å
767R96.9Very high96.2Very high170 Ų17098.2 Ų98.264%0.64247%0.471SS*.Hα-helixtrans-63.8-40.9173.6-76.2172.4-165.6-84.1-4.3112.3N763 S764 I765 V770 H771N763-R767 WeakPolarHBondContact O-CB 3.46Å; N763-R767 WeakPolarHBondContact O-CG 3.46Å; N763-R767 PolarHBondContact O-N 3.08Å; N763-R767 PolarHBondContact OD1-NE 3.13Å; N763-R767 PolarHBondContact OD1-NH2 2.94Å; S764-R767 PolarHBondContact O-N 2.84Å; I765-R767 PolarHBondContact O-N 2.99Å; R767-V770 PolarHBondContact O-N 2.96Å; R767-H771 PolarHBondContact O-N 3.23Å
768Q96.9Very high96.1Very high118 Ų118100.4 Ų100.455%0.55148%0.481SS*.Hα-helixtrans-60.6-49.9174-173.7-173-39.400110.7S764 I765 V770 H771 E772S764-Q768 PolarHBondContact O-N 3.4Å; I765-Q768 WeakPolarHBondContact O-CB 3.44Å; I765-Q768 PolarHBondContact O-N 2.92Å; Q768-V770 VanDerWaalsContact C-N 3.31Å; Q768-V770 PolarHBondContact O-N 3.13Å; Q768-H771 WeakPolarHBondContact O-CB 3.35Å; Q768-H771 PolarHBondContact O-N 3.41Å; Q768-H771 VanDerWaalsContact O-N 3.07Å; Q768-E772 WeakPolarHBondContact CG-OE1 3.47Å; Q768-E772 PolarHBondContact NE2-OE1 2.7Å; Q768-E772 WeakPolarHBondContact O-CG 3.39Å; Q768-E772 PolarHBondContact O-N 3.42Å
769R96.3Very high96.1Very high99 Ų9999.6 Ų99.637%0.37448%0.481SS..Hα-helixtrans-65.6-33-179.6-171.962.2-163.1142.79112.8I765 L766 E772 L773 E776I765-R769 PolarHBondContact O-N 3.11Å; L766-R769 PolarHBondContact O-N 3.46Å; R769-E772 WeakPolarHBondContact CD-OE2 3.33Å; R769-E772 IonicContact CZ-OE2 3.27Å; R769-E772 IonicContact NE-OE2 2.78Å; R769-E772 IonicContact NH1-OE2 2.74Å; R769-E772 PolarHBondContact NH1-OE2 3Å; R769-L773 HydrophobicContact CG-CD1 4.1Å; R769-L773 HydrophobicContact CG-CG 4.48Å; R769-L773 VanDerWaalsContact NH2-CD2 3.28Å; R769-L773 WeakPolarHBondContact O-CB 3.41Å; R769-L773 VanDerWaalsContact O-CG 3.27Å; R769-L773 WeakPolarHBondContact O-CG 3.34Å; R769-L773 PolarHBondContact O-N 3.27Å; R769-E776 IonicContact CZ-OE1 3.17Å; R769-E776 VanDerWaalsContact CZ-OE1 3.27Å; R769-E776 IonicContact NH1-OE1 2.87Å; R769-E776 PolarHBondContact NH1-OE1 3.46Å; R769-E776 IonicContact NH2-OE1 3.71Å; R769-E776 PolarHBondContact NH2-OE1 3.17Å; R769-E776 IonicContact NH2-OE2 2.78Å; R769-E776 PolarHBondContact NH2-OE2 3.45Å; R769-E776 VanDerWaalsContact NH2-OE2 3.17Å
770V96.3Very high96Very high70 Ų70100.1 Ų100.142%0.42448%0.484SS..Hα-helixtrans-64-42171167.10000111.4L766 R767 Q768 L773 Q774L766-V770 WeakPolarHBondContact O-CB 3.29Å; L766-V770 VanDerWaalsContact O-CG2 3.29Å; L766-V770 WeakPolarHBondContact O-CG2 3.4Å; L766-V770 PolarHBondContact O-N 3.37Å; R767-V770 PolarHBondContact O-N 2.96Å; Q768-V770 VanDerWaalsContact C-N 3.31Å; Q768-V770 PolarHBondContact O-N 3.13Å; V770-L773 PolarHBondContact O-N 3.26Å; V770-Q774 HydrophobicContact CG1-CG 4.46Å; V770-Q774 WeakPolarHBondContact O-CB 3.08Å; V770-Q774 VanDerWaalsContact O-CG 3.23Å; V770-Q774 WeakPolarHBondContact O-CG 3.44Å; V770-Q774 PolarHBondContact O-N 3.02Å
771H96.6Very high95.9Very high120 Ų12096 Ų9656%0.55648%0.478SS*.Hα-helixtrans-64.7-44.5175.8-179.4-82.3000112.1R767 Q768 Q774 Q775R767-H771 PolarHBondContact O-N 3.23Å; Q768-H771 WeakPolarHBondContact O-CB 3.35Å; Q768-H771 PolarHBondContact O-N 3.41Å; Q768-H771 VanDerWaalsContact O-N 3.07Å; H771-Q774 PolarHBondContact O-N 2.91Å; H771-Q775 PolarHBondContact O-N 3.35Å
772E96.2Very high95.7Very high61 Ų6195.8 Ų95.829%0.28548%0.483SS..Hα-helixtrans-57.9-49.9173.7-68.6168-169.600111.5Q768 R769 Q774 Q775 E776Q768-E772 WeakPolarHBondContact CG-OE1 3.47Å; Q768-E772 PolarHBondContact NE2-OE1 2.7Å; Q768-E772 WeakPolarHBondContact O-CG 3.39Å; Q768-E772 PolarHBondContact O-N 3.42Å; R769-E772 WeakPolarHBondContact CD-OE2 3.33Å; R769-E772 IonicContact CZ-OE2 3.27Å; R769-E772 IonicContact NE-OE2 2.78Å; R769-E772 IonicContact NH1-OE2 2.74Å; R769-E772 PolarHBondContact NH1-OE2 3Å; E772-Q774 VanDerWaalsContact C-N 3.3Å; E772-Q774 PolarHBondContact O-N 3.45Å; E772-Q775 WeakPolarHBondContact O-CB 3.42Å; E772-Q775 PolarHBondContact O-N 2.99Å; E772-E776 WeakPolarHBondContact O-CG 3.36Å; E772-E776 PolarHBondContact O-N 2.89Å
773L96.2Very high95.5Very high83 Ų8394.5 Ų94.544%0.43549%0.485SS..Hα-helixtrans-61.7-35.8176.8-76.4167.1000112.7R769 V770 Q775 N777R769-L773 HydrophobicContact CG-CD1 4.1Å; R769-L773 HydrophobicContact CG-CG 4.48Å; R769-L773 VanDerWaalsContact NH2-CD2 3.28Å; R769-L773 WeakPolarHBondContact O-CB 3.41Å; R769-L773 VanDerWaalsContact O-CG 3.27Å; R769-L773 WeakPolarHBondContact O-CG 3.34Å; R769-L773 PolarHBondContact O-N 3.27Å; V770-L773 PolarHBondContact O-N 3.26Å; L773-Q775 VanDerWaalsContact C-N 3.34Å; L773-N777 WeakPolarHBondContact O-CB 3.39Å; L773-N777 PolarHBondContact O-N 3.08Å
774Q96.6Very high95.4Very high88 Ų8897.5 Ų97.541%0.41150%0.501SS..Hα-helixtrans-67.9-33.9173.9-76.6172.4-2.400112V770 H771 E772 Q778V770-Q774 HydrophobicContact CG1-CG 4.46Å; V770-Q774 WeakPolarHBondContact O-CB 3.08Å; V770-Q774 VanDerWaalsContact O-CG 3.23Å; V770-Q774 WeakPolarHBondContact O-CG 3.44Å; V770-Q774 PolarHBondContact O-N 3.02Å; H771-Q774 PolarHBondContact O-N 2.91Å; E772-Q774 VanDerWaalsContact C-N 3.3Å; E772-Q774 PolarHBondContact O-N 3.45Å; Q774-Q778 WeakPolarHBondContact O-CB 3.09Å; Q774-Q778 VanDerWaalsContact O-CG 3.26Å; Q774-Q778 WeakPolarHBondContact O-CG 3.37Å; Q774-Q778 PolarHBondContact O-N 2.68Å; Q774-Q778 PolarHBondContact O-NE2 2.66Å
775Q96Very high95.2Very high108 Ų108100.5 Ų100.551%0.50551%0.508SS..Hα-helixtrans-72.6-45.9174.2-172.8177.94.600111.6H771 E772 L773 N777 Q778 L779H771-Q775 PolarHBondContact O-N 3.35Å; E772-Q775 WeakPolarHBondContact O-CB 3.42Å; E772-Q775 PolarHBondContact O-N 2.99Å; L773-Q775 VanDerWaalsContact C-N 3.34Å; Q775-N777 VanDerWaalsContact C-N 3.32Å; Q775-N777 PolarHBondContact O-N 2.63Å; Q775-Q778 PolarHBondContact O-N 3.29Å; Q775-L779 HydrophobicContact CG-CD1 4.36Å; Q775-L779 WeakPolarHBondContact O-CG 3.4Å; Q775-L779 PolarHBondContact O-N 3.29Å
776E95.8Very high94.8Very high81 Ų81101.7 Ų101.738%0.37952%0.515SS..Hα-helixtrans-54.3-47.9172.5-72169.4-149.600110.8R769 E772 L779 L780R769-E776 IonicContact CZ-OE1 3.17Å; R769-E776 VanDerWaalsContact CZ-OE1 3.27Å; R769-E776 IonicContact NH1-OE1 2.87Å; R769-E776 PolarHBondContact NH1-OE1 3.46Å; R769-E776 IonicContact NH2-OE1 3.71Å; R769-E776 PolarHBondContact NH2-OE1 3.17Å; R769-E776 IonicContact NH2-OE2 2.78Å; R769-E776 PolarHBondContact NH2-OE2 3.45Å; R769-E776 VanDerWaalsContact NH2-OE2 3.17Å; E772-E776 WeakPolarHBondContact O-CG 3.36Å; E772-E776 PolarHBondContact O-N 2.89Å; E776-L779 PolarHBondContact O-N 3.45Å; E776-L780 WeakPolarHBondContact O-CB 3.38Å; E776-L780 WeakPolarHBondContact O-CG 3.46Å; E776-L780 PolarHBondContact O-N 3.5Å
777N94Very high94.6Very high102 Ų10299.2 Ų99.255%0.54551%0.512SS..Hα-helixtrans-66.3-40.3179.5-169.2-42.7000112.5L773 Q775 L779 L780 S781L773-N777 WeakPolarHBondContact O-CB 3.39Å; L773-N777 PolarHBondContact O-N 3.08Å; Q775-N777 VanDerWaalsContact C-N 3.32Å; Q775-N777 PolarHBondContact O-N 2.63Å; N777-L779 PolarHBondContact O-N 3.28Å; N777-L780 PolarHBondContact O-N 3.12Å; N777-S781 WeakPolarHBondContact O-CB 3.46Å; N777-S781 PolarHBondContact O-N 3.32Å; N777-S781 PolarHBondContact O-OG 3.36Å; N777-S781 PolarHBondContact OD1-OG 2.91Å
778Q95.5Very high94.1Very high132 Ų13293.6 Ų93.662%0.61750%0.502SS*.Hα-helixtrans-61.4-42.7173.6-80.4169.280.800112.3Q774 Q775 S781 A782Q774-Q778 WeakPolarHBondContact O-CB 3.09Å; Q774-Q778 VanDerWaalsContact O-CG 3.26Å; Q774-Q778 WeakPolarHBondContact O-CG 3.37Å; Q774-Q778 PolarHBondContact O-N 2.68Å; Q774-Q778 PolarHBondContact O-NE2 2.66Å; Q775-Q778 PolarHBondContact O-N 3.29Å; Q778-S781 PolarHBondContact O-N 2.94Å; Q778-A782 WeakPolarHBondContact O-CB 3.35Å; Q778-A782 PolarHBondContact O-N 3.29Å
779L95.1Very high93.7Very high116 Ų11691.9 Ų91.961%0.60750%0.499SS*.Hα-helixtrans-65.6-44177.3-70.2169.4000112Q775 E776 N777 A782 S783Q775-L779 HydrophobicContact CG-CD1 4.36Å; Q775-L779 WeakPolarHBondContact O-CG 3.4Å; Q775-L779 PolarHBondContact O-N 3.29Å; E776-L779 PolarHBondContact O-N 3.45Å; N777-L779 PolarHBondContact O-N 3.28Å; L779-A782 PolarHBondContact O-N 3.29Å; L779-S783 WeakPolarHBondContact O-CB 3.41Å; L779-S783 PolarHBondContact O-N 2.9Å
780L94.5Very high93Very high115 Ų11589.4 Ų89.460%0.60250%0.5SS*.Hα-helixtrans-64.5-43.1175.5-71.2169.9000111.7E776 N777 A782 S783 L784E776-L780 WeakPolarHBondContact O-CB 3.38Å; E776-L780 WeakPolarHBondContact O-CG 3.46Å; E776-L780 PolarHBondContact O-N 3.5Å; N777-L780 PolarHBondContact O-N 3.12Å; L780-A782 PolarHBondContact O-N 3.27Å; L780-S783 WeakPolarHBondContact O-CB 3.41Å; L780-S783 PolarHBondContact O-N 3.46Å; L780-L784 WeakPolarHBondContact O-CB 3.25Å; L780-L784 WeakPolarHBondContact O-CG 3.35Å; L780-L784 PolarHBondContact O-N 2.93Å
781S93.6Very high92.4Very high61 Ų6188.7 Ų88.743%0.42750%0.501SS..Hα-helixtrans-62-41.7176-66.60000112N777 Q778 L784 Q785N777-S781 WeakPolarHBondContact O-CB 3.46Å; N777-S781 PolarHBondContact O-N 3.32Å; N777-S781 PolarHBondContact O-OG 3.36Å; N777-S781 PolarHBondContact OD1-OG 2.91Å; Q778-S781 PolarHBondContact O-N 2.94Å; S781-L784 PolarHBondContact O-N 3.13Å; S781-Q785 VanDerWaalsContact O-CB 3.28Å; S781-Q785 WeakPolarHBondContact O-CB 3.37Å; S781-Q785 PolarHBondContact O-N 3.42Å
782A92.8Very high91.6Very high60 Ų6085 Ų8550%0.49649%0.492SS..Hα-helixtrans-65-39.8174.200000112.2Q778 L779 L780 Q785 L786Q778-A782 WeakPolarHBondContact O-CB 3.35Å; Q778-A782 PolarHBondContact O-N 3.29Å; L779-A782 PolarHBondContact O-N 3.29Å; L780-A782 PolarHBondContact O-N 3.27Å; A782-Q785 PolarHBondContact O-N 3.24Å; A782-L786 WeakPolarHBondContact O-CB 3.41Å; A782-L786 PolarHBondContact O-N 2.7Å
783S92.3Very high90.6Very high77 Ų7784.3 Ų84.354%0.53850%0.496SS..Hα-helixtrans-64.5-45.1175.7-170.80000112.2L779 L780 L786 G787L779-S783 WeakPolarHBondContact O-CB 3.41Å; L779-S783 PolarHBondContact O-N 2.9Å; L780-S783 WeakPolarHBondContact O-CB 3.41Å; L780-S783 PolarHBondContact O-N 3.46Å; S783-L786 PolarHBondContact O-N 3.1Å; S783-G787 PolarHBondContact O-N 3.2Å
784L92.8Very high89.6Confident132 Ų13287.3 Ų87.369%0.69151%0.508SS*.Hα-helixtrans-64.7-41.4175.4-71.2173000111.9L780 S781 G787 A788L780-L784 WeakPolarHBondContact O-CB 3.25Å; L780-L784 WeakPolarHBondContact O-CG 3.35Å; L780-L784 PolarHBondContact O-N 2.93Å; S781-L784 PolarHBondContact O-N 3.13Å; L784-G787 PolarHBondContact O-N 3.4Å; L784-A788 WeakPolarHBondContact O-CB 3.45Å; L784-A788 PolarHBondContact O-N 2.95Å
785Q91.2Very high88.2Confident123 Ų12389.2 Ų89.258%0.57552%0.52SS*.Hα-helixtrans-64.3-41.1175.8-17562.519.600111.6S781 A782 A788 V789S781-Q785 VanDerWaalsContact O-CB 3.28Å; S781-Q785 WeakPolarHBondContact O-CB 3.37Å; S781-Q785 PolarHBondContact O-N 3.42Å; A782-Q785 PolarHBondContact O-N 3.24Å; Q785-A788 PolarHBondContact O-N 2.64Å; Q785-V789 WeakPolarHBondContact O-CB 3.32Å; Q785-V789 VanDerWaalsContact O-CG2 3.29Å; Q785-V789 WeakPolarHBondContact O-CG2 3.49Å; Q785-V789 PolarHBondContact O-N 3.5Å
786L89.7Confident86.6Confident126 Ų12692.7 Ų92.766%0.6653%0.533SS*.Hα-helixtrans-63.7-42.9174.1-179.460.9000111.5A782 S783 V789 A790A782-L786 WeakPolarHBondContact O-CB 3.41Å; A782-L786 PolarHBondContact O-N 2.7Å; S783-L786 PolarHBondContact O-N 3.1Å; L786-V789 PolarHBondContact O-N 2.9Å; L786-A790 WeakPolarHBondContact O-CB 3.24Å; L786-A790 PolarHBondContact O-N 3.14Å
787G90.9Very high84.8Confident42 Ų4295.4 Ų95.443%0.43355%0.551SS.*Hα-helixtrans-62.1-42.2174.300000113.1S783 L784 A790 A791S783-G787 PolarHBondContact O-N 3.2Å; L784-G787 PolarHBondContact O-N 3.4Å; G787-A790 PolarHBondContact O-N 3.17Å; G787-A791 WeakPolarHBondContact O-CB 3.4Å; G787-A791 PolarHBondContact O-N 2.96Å
788A87.9Confident83Confident52 Ų52100.6 Ų100.643%0.4356%0.563SS.*Hα-helixtrans-65.7-40.9175.800000112.1L784 Q785 A791 A792L784-A788 WeakPolarHBondContact O-CB 3.45Å; L784-A788 PolarHBondContact O-N 2.95Å; Q785-A788 PolarHBondContact O-N 2.64Å; A788-A791 PolarHBondContact O-N 3.18Å; A788-A792 WeakPolarHBondContact O-CB 3.38Å; A788-A792 PolarHBondContact O-N 3.25Å
789V86.7Confident80.7Confident82 Ų82102.9 Ų102.950%0.49757%0.573SS.*Hα-helixtrans-65.3-40.7173.8169.20000111.2Q785 L786 A792 A793Q785-V789 WeakPolarHBondContact O-CB 3.32Å; Q785-V789 VanDerWaalsContact O-CG2 3.29Å; Q785-V789 WeakPolarHBondContact O-CG2 3.49Å; Q785-V789 PolarHBondContact O-N 3.5Å; L786-V789 PolarHBondContact O-N 2.9Å; V789-A792 PolarHBondContact O-N 3.47Å; V789-A793 WeakPolarHBondContact O-CB 3.46Å; V789-A793 PolarHBondContact O-N 2.89Å
790A83.1Confident78.4Confident46 Ų46103.2 Ų103.238%0.3858%0.582SS.*Hα-helixtrans-63.4-44.2174.600000111.9L786 G787 A793 H794L786-A790 WeakPolarHBondContact O-CB 3.24Å; L786-A790 PolarHBondContact O-N 3.14Å; G787-A790 PolarHBondContact O-N 3.17Å; A790-A793 PolarHBondContact O-N 3.35Å; A790-H794 PolarHBondContact O-CD2 3.37Å; A790-H794 PolarHBondContact O-N 3.02Å
791A82.2Confident75.9Confident55 Ų55108.4 Ų108.446%0.45559%0.594SS.*Hα-helixtrans-61.6-43.8174.300000112G787 A788 A793 H794 L795G787-A791 WeakPolarHBondContact O-CB 3.4Å; G787-A791 PolarHBondContact O-N 2.96Å; A788-A791 PolarHBondContact O-N 3.18Å; A791-A793 VanDerWaalsContact C-N 3.33Å; A791-A793 PolarHBondContact O-N 2.99Å; A791-H794 PolarHBondContact O-N 2.94Å; A791-L795 WeakPolarHBondContact O-CG 3.32Å; A791-L795 PolarHBondContact O-N 3.27Å
792A79.9Confident73.6Confident44 Ų44111.3 Ų111.336%0.36461%0.611SS.*Hα-helixtrans-64-35.4175.500000112.7A788 V789 L795 K796A788-A792 WeakPolarHBondContact O-CB 3.38Å; A788-A792 PolarHBondContact O-N 3.25Å; V789-A792 PolarHBondContact O-N 3.47Å; A792-L795 PolarHBondContact O-N 3.47Å; A792-K796 WeakPolarHBondContact O-CG 3.45Å; A792-K796 PolarHBondContact O-N 3.32Å
793A76.3Confident71Confident45 Ų45111.9 Ų111.937%0.37262%0.623SS.*Hα-helixtrans-68.3-40173.400000112.1V789 A790 A791 L795 K796 N797V789-A793 WeakPolarHBondContact O-CB 3.46Å; V789-A793 PolarHBondContact O-N 2.89Å; A790-A793 PolarHBondContact O-N 3.35Å; A791-A793 VanDerWaalsContact C-N 3.33Å; A791-A793 PolarHBondContact O-N 2.99Å; A793-L795 VanDerWaalsContact C-N 3.32Å; A793-L795 PolarHBondContact O-N 3.37Å; A793-K796 PolarHBondContact O-N 2.67Å; A793-N797 PolarHBondContact O-N 3.41Å; A793-N797 PolarHBondContact O-ND2 2.92Å
794H74.3Confident68.7Low146 Ų146113.4 Ų113.468%0.67663%0.634SS**Hα-helixtrans-62.2-37.4172.4-88.9-73.8000112.7A790 A791A790-H794 PolarHBondContact O-CD2 3.37Å; A790-H794 PolarHBondContact O-N 3.02Å; A791-H794 PolarHBondContact O-N 2.94Å
795L68.4Low66.1Low129 Ų129112.9 Ų112.968%0.67564%0.641SS**Hα-helixtrans-67.7-44.4173.4-70.7171000111.9A791 A792 A793 N797 R798A791-L795 WeakPolarHBondContact O-CG 3.32Å; A791-L795 PolarHBondContact O-N 3.27Å; A792-L795 PolarHBondContact O-N 3.47Å; A793-L795 VanDerWaalsContact C-N 3.32Å; A793-L795 PolarHBondContact O-N 3.37Å; L795-N797 VanDerWaalsContact C-N 3.27Å; L795-N797 PolarHBondContact O-N 2.93Å; L795-R798 PolarHBondContact O-N 2.88Å
796K61.8Low63.8Low180 Ų180114.6 Ų114.678%0.78365%0.653SS**Hα-helixtrans-63.5-28177.6-75.4-179.8178.6-177.70113.8A792 A793 R798A792-K796 WeakPolarHBondContact O-CG 3.45Å; A792-K796 PolarHBondContact O-N 3.32Å; A793-K796 PolarHBondContact O-N 2.67Å; K796-R798 VanDerWaalsContact C-N 3.3Å; K796-R798 PolarHBondContact O-N 2.95Å
797N58.6Low61.6Low139 Ų139113.5 Ų113.574%0.74366%0.656SS**THydrogen-bonded Turntrans-77.6-8.3174.1-82.7-43.9000114.3A793 L795 Q799A793-N797 PolarHBondContact O-N 3.41Å; A793-N797 PolarHBondContact O-ND2 2.92Å; L795-N797 VanDerWaalsContact C-N 3.27Å; L795-N797 PolarHBondContact O-N 2.93Å; N797-Q799 PolarHBondContact O-N 3.38Å
798R54.5Low59Low211 Ų211117.1 Ų117.180%0.79668%0.675SS**SBendtrans-85.782.3165.7-75.6-172.5170.5-117.80.6110L795 K796L795-R798 PolarHBondContact O-N 2.88Å; K796-R798 VanDerWaalsContact C-N 3.3Å; K796-R798 PolarHBondContact O-N 2.95Å
799Q47.4Very low56.8Low180 Ų180121.7 Ų121.784%0.84169%0.691SS**  trans-53.5132.9169.7-79.8-168.3-1700110.8N797 R801N797-Q799 PolarHBondContact O-N 3.38Å; Q799-R801 PolarHBondContact O-N 3.34Å
800P46.7Very low54.5Low123 Ų123123.1 Ų123.180%0.79970%0.696SS**  trans-70.9113.6174.728.5-32.8000109.7P802P800-P802 WeakPolarHBondContact O-CD 3.4Å
801R43.3Very low52.6Low224 Ų224127 Ų12785%0.84571%0.709SS**  trans-61.9119.6172.8174.1179.2172.4174.5-1.7109.4Q799Q799-R801 PolarHBondContact O-N 3.34Å
802P43.6Very low50.5Low121 Ų121130 Ų13079%0.78672%0.717SS**SBendtrans-7014117429.4-33.8000110.4P800P800-P802 WeakPolarHBondContact O-CD 3.4Å
803G40Very low48.4Very low72 Ų72133.8 Ų133.874%0.74274%0.736SS**  trans95.872.4169.900000116.3
804S44.2Very low46.5Very low110 Ų110136.6 Ų136.677%0.76975%0.749SS**  trans-151.899.715055.70000109.4L806S804-L806 PolarHBondContact O-N 3.49Å
805S37.9Very low44.6Very low121 Ų121135.6 Ų135.685%0.84675%0.748SS**  trans-76.9107.8-173.950.80000112.3
806L43.2Very low43.1Very low158 Ų158138.2 Ų138.283%0.82776%0.757SS**  trans-137.9120.9168.7-73.8177.1000111.4S804S804-L806 PolarHBondContact O-N 3.49Å
807S41.9Very low41.8Very low103 Ų103132.3 Ų132.372%0.7275%0.748SS**  trans31.890.7154.657.70000118.1I809S807-I809 PolarHBondContact O-N 3.06Å; S807-I809 VanDerWaalsContact O-N 3.09Å
808S37.9Very low40.6Very low119 Ų119133.4 Ų133.483%0.83275%0.753SS**  trans-62.9105.4161-49.50000110.3N810S808-N810 VanDerWaalsContact C-N 3.31Å; S808-N810 PolarHBondContact O-N 3.31Å
809I41Very low39.9Very low148 Ų148129.1 Ų129.176%0.75975%0.745SS**  trans-73.493165.9-63.1179.6000107S807 I811S807-I809 PolarHBondContact O-N 3.06Å; S807-I809 VanDerWaalsContact O-N 3.09Å; I809-I811 HydrophobicContact CG2-CG1 4.15Å; I809-I811 PolarHBondContact O-N 2.72Å; I809-I811 VanDerWaalsContact O-N 3.14Å
810N38.4Very low39.1Very low112 Ų112128.5 Ų128.560%0.59975%0.746SS**  trans-80.790.4-173.7-173.629.8000111.2S808 N812S808-N810 VanDerWaalsContact C-N 3.31Å; S808-N810 PolarHBondContact O-N 3.31Å; N810-N812 PolarHBondContact ND2-ND2 2.88Å; N810-N812 VanDerWaalsContact ND2-ND2 3.17Å; N810-N812 PolarHBondContact O-N 2.82Å; N810-N812 PolarHBondContact OD1-OD1 3.2Å
811I43.8Very low38.3Very low128 Ų128128 Ų12866%0.65674%0.741SS**  trans-79.960.2172.9-47-176.3000109.8I809 T813I809-I811 HydrophobicContact CG2-CG1 4.15Å; I809-I811 PolarHBondContact O-N 2.72Å; I809-I811 VanDerWaalsContact O-N 3.14Å; I811-T813 VanDerWaalsContact C-N 3.27Å; I811-T813 HydrophobicContact CG2-CG2 3.79Å; I811-T813 PolarHBondContact O-N 2.73Å; I811-T813 VanDerWaalsContact O-N 3.11Å
812N37Very low37.8Very low116 Ų116123 Ų12362%0.6274%0.735SS**  trans-78.878.2164.3-84.2-2.1000108.6N810 T814N810-N812 PolarHBondContact ND2-ND2 2.88Å; N810-N812 VanDerWaalsContact ND2-ND2 3.17Å; N810-N812 PolarHBondContact O-N 2.82Å; N810-N812 PolarHBondContact OD1-OD1 3.2Å; N812-T814 PolarHBondContact O-N 2.64Å; N812-T814 VanDerWaalsContact O-N 3.08Å
813T36.4Very low37.3Very low124 Ų124123.6 Ų123.676%0.76174%0.737SS**  trans-84.655173.149.60000111.8I811I811-T813 VanDerWaalsContact C-N 3.27Å; I811-T813 HydrophobicContact CG2-CG2 3.79Å; I811-T813 PolarHBondContact O-N 2.73Å; I811-T813 VanDerWaalsContact O-N 3.11Å
814T36.4Very low37.1Very low105 Ų105126.1 Ų126.164%0.64473%0.733SS**SBendtrans-132.3141158.2590000109.8N812N812-T814 PolarHBondContact O-N 2.64Å; N812-T814 VanDerWaalsContact O-N 3.08Å
815N34.7Very low36.8Very low125 Ų125127.6 Ų127.667%0.66873%0.732SS**  trans48.9124.3163.272.5-64.4000121
816E37.2Very low36.9Very low183 Ų183129.1 Ų129.186%0.85573%0.731SS**  trans96.9129.7151.5-50.1-162.9-157.900120.2
817G34.1Very low36.6Very low57 Ų57127.6 Ų127.659%0.58873%0.734SS**  113.610.7128.100000120.3I819G817-I819 PolarHBondContact O-N 3.26Å
818N33.5Very low36.4Very low162 Ų162126.4 Ų126.487%0.86674%0.737SS**  trans-76.582.3166.1-165.218.1000110.6I820N818-I820 PolarHBondContact O-N 3.39Å
819I38.9Very low36.4Very low120 Ų120126.8 Ų126.862%0.61574%0.735SS**  trans-83.5110.1-170.7-69.8167.8000110.5G817 T821G817-I819 PolarHBondContact O-N 3.26Å; I819-T821 VanDerWaalsContact C-N 3.35Å; I819-T821 VanDerWaalsContact CG2-N 3.29Å; I819-T821 WeakPolarHBondContact CG2-O 3.26Å
820I30.9Very low36.2Very low168 Ų168127.2 Ų127.286%0.86274%0.737SS**  trans-102.360.8152.1-48.4-177.8000108.1N818N818-I820 PolarHBondContact O-N 3.39Å
821T30.6Very low36.2Very low113 Ų113127.8 Ų127.869%0.69375%0.747SS**SBendtrans-133.1118.3171.7-47.80000108.5I819I819-T821 VanDerWaalsContact C-N 3.35Å; I819-T821 VanDerWaalsContact CG2-N 3.29Å; I819-T821 WeakPolarHBondContact CG2-O 3.26Å
822T32.9Very low35.9Very low117 Ų117125.1 Ų125.172%0.71875%0.751SS**  trans-58.1142.9-179.8-50.80000111.9N824T822-N824 PolarHBondContact O-N 2.9Å
823T32.1Very low35.8Very low135 Ų135126.7 Ų126.783%0.82876%0.764SS**  trans-71.4110.2179.4300000113.3
824N35.4Very low35.7Very low125 Ų125124.2 Ų124.267%0.66876%0.764SS**  trans-162.198.515735.622000116.1T822T822-N824 PolarHBondContact O-N 2.9Å
825N38.8Very low35.5Very low141 Ų141127.1 Ų127.175%0.75477%0.773SS**  69.1111.8128.1-53.6-15.3000122
826N39.8Very low35.4Very low152 Ų152126.8 Ų126.881%0.81378%0.776SS**  trans81.5134132.2-58.2-12.3000122.1
827S37.4Very low35Very low127 Ų127123.5 Ų123.589%0.88877%0.773SS**  trans68.3110.9147.6-176.80000119.4
828G36.5Very low35Very low77 Ų77125.9 Ų125.979%0.79478%0.776SS**  trans178.250.4173.600000117.1
829T38.2Very low34.7Very low127 Ų127126.4 Ų126.478%0.77978%0.778SS**  trans-45.3132.4179.9-37.60000116.2
830I36.7Very low34.5Very low158 Ų158126.7 Ų126.781%0.8179%0.785SS**  172138.2123-89160.1000110.8
831P39Very low34.4Very low124 Ų124125.7 Ų125.781%0.80578%0.782SS**  trans-104161.9-172.739.5-35.5000115.1
832G37Very low34.5Very low71 Ų71127.5 Ų127.573%0.73279%0.788SS**  trans-171.8130.1167.300000114.9
833V35.6Very low34.4Very low149 Ų149130.3 Ų130.390%0.90379%0.792SS**  trans57.7103.7168.6-167.30000116.6
834G33.6Very low34.3Very low73 Ų73131.3 Ų131.375%0.75379%0.793SS**  trans-92.9155.3169.500000113.2
835I32.8Very low34Very low165 Ų165131.5 Ų131.585%0.84680%0.802SS**  trans-106.6123.3174.7-25.2176.3000108.5
836V32.3Very low33.5Very low119 Ų119130.7 Ų130.772%0.72180%0.802SS**  trans-119.5102.7178.8177.20000109.4T838V836-T838 HydrophobicContact CG1-CG2 3.84Å; V836-T838 PolarHBondContact O-N 3.48Å
837S28.8Very low33.1Very low113 Ų113130.6 Ų130.679%0.7980%0.801SS**  trans-93.283.3174.6-610000110.6
838T33.4Very low32.7Very low108 Ų108131.5 Ų131.566%0.66380%0.795SS**  trans-96.6120170.644.90000111V836 T840V836-T838 HydrophobicContact CG1-CG2 3.84Å; V836-T838 PolarHBondContact O-N 3.48Å; T838-T840 PolarHBondContact O-N 2.78Å
839L27.7Very low32.4Very low172 Ų172136.8 Ų136.890%0.90180%0.796SS**  trans-66.4118169-80.767.4000109.9
840T34.7Very low32Very low126 Ų126137.5 Ų137.577%0.77380%0.795SS**  trans-136.9142.215549.30000108.8T838T838-T840 PolarHBondContact O-N 2.78Å
841N29.2Very low32.2Very low147 Ų147134.6 Ų134.679%0.78679%0.789SS**  trans-60.5156.7175.8-49.1-47000111
842N32.4Very low32Very low152 Ų152135.8 Ų135.881%0.81379%0.786SS**  173.4115.2128.3-83.1-11.1000110.6
843E31.5Very low31.8Very low175 Ų175140.9 Ų140.982%0.81879%0.791SS**  trans30.8140.2145.9-56-177.6-156.900122.2
844N30.1Very low31.7Very low157 Ų157143.2 Ų143.284%0.8479%0.79SS**  trans65.398.8170.7-64.3-25.2000118.5
845C28.8Very low31.7Very low128 Ų128145.1 Ų145.187%0.86579%0.787SS**  -155.9152.2117.2-134.50000112.6
846T28.8Very low31.9Very low124 Ų124144.5 Ų144.576%0.76179%0.785SS**  trans-95.2-168.6171.948.10000110.6
847I30.3Very low32Very low151 Ų151150.1 Ų150.177%0.77480%0.795SS**  trans92.2155.7173-52.4159.9000113.9
848L29.5Very low32.2Very low146 Ų146152.7 Ų152.776%0.76480%0.795SS**  trans69.276-172.5-52.9-173.7000115.2
849K29.2Very low32Very low188 Ų188152.3 Ų152.382%0.81780%0.796SS**  trans-130.638.5156.3-156.2174.2179.3177.20112.2S851K849-S851 PolarHBondContact O-N 3.22Å; K849-S851 PolarHBondContact O-OG 2.96Å
850D31.5Very low32.5Very low142 Ų142149.5 Ų149.576%0.75979%0.788SS**  trans-61108.6162.5-62.9-56.2000107.8I852D850-I852 PolarHBondContact O-N 3.49Å
851S39.7Very low32.3Very low97 Ų97150.9 Ų150.968%0.67879%0.79SS**  trans-88.7109.8-171.8-62.20000108.9K849 E853K849-S851 PolarHBondContact O-N 3.22Å; K849-S851 PolarHBondContact O-OG 2.96Å; S851-E853 PolarHBondContact O-N 2.91Å
852I35.1Very low32.5Very low148 Ų148149 Ų14976%0.75979%0.785SS**  trans-57.5121175.9-59.9172.6000108.5D850 F854D850-I852 PolarHBondContact O-N 3.49Å; I852-F854 HydrophobicContact CG2-CD2 4.02Å; I852-F854 HydrophobicContact CG2-CE2 4.39Å; I852-F854 PolarHBondContact O-N 3.19Å
853E32.1Very low32.4Very low178 Ų178146.8 Ų146.883%0.83278%0.776SS**  trans-76.385.6-170.8-167.6165.3-142.600111S851 T855S851-E853 PolarHBondContact O-N 2.91Å; E853-T855 HydrophobicContact CG-CG2 4.41Å; E853-T855 PolarHBondContact O-N 3.22Å
854F34.5Very low32.4Very low198 Ų198147 Ų14787%0.86878%0.775SS**  trans-92.487.1178.9-113.9-80.9000111.3I852I852-F854 HydrophobicContact CG2-CD2 4.02Å; I852-F854 HydrophobicContact CG2-CE2 4.39Å; I852-F854 PolarHBondContact O-N 3.19Å
855T32.7Very low32.6Very low114 Ų114145 Ų14570%0.69977%0.768SS**  trans-9594.4171.753.40000111.3E853E853-T855 HydrophobicContact CG-CG2 4.41Å; E853-T855 PolarHBondContact O-N 3.22Å
856D37.5Very low32.9Very low152 Ų152144.3 Ų144.381%0.81376%0.76SS**  trans-165.6113.6151.8-110.4-29000111.6Q858D856-Q858 VanDerWaalsContact C-N 3.29Å; D856-Q858 PolarHBondContact O-N 3.47Å
857Y34Very low33.1Very low237 Ų237145.9 Ų145.993%0.92976%0.763SS**  trans-90.256.1177.3-107.5-82.1000111.8
858Q33.2Very low33.5Very low167 Ų167144.1 Ų144.178%0.7876%0.76SS**  trans-78.6121.6164.7-169.36731.100108.7D856 P860D856-Q858 VanDerWaalsContact C-N 3.29Å; D856-Q858 PolarHBondContact O-N 3.47Å; Q858-P860 WeakPolarHBondContact O-CD 3.44Å
859S29.8Very low34Very low99 Ų99142.9 Ų142.969%0.69276%0.761SS**  trans-56.8118.2-169.4-49.50000113.3L861S859-L861 PolarHBondContact O-N 3.29Å
860P37.5Very low34.1Very low113 Ų113140.9 Ų140.973%0.73476%0.759SS**  trans-73.397.8170.929.5-32.3000109.1Q858 T862Q858-P860 WeakPolarHBondContact O-CD 3.44Å; P860-T862 PolarHBondContact O-N 2.84Å
861L31Very low34.3Very low155 Ų155143 Ų14381%0.81276%0.764SS**  trans-58.3108.9159.8-93.2165.1000107.8S859 V863S859-L861 PolarHBondContact O-N 3.29Å; L861-V863 HydrophobicContact CB-CG2 4.31Å; L861-V863 PolarHBondContact O-N 3.1Å
862T33.2Very low34Very low109 Ų109146 Ų14667%0.66977%0.767SS**  trans-70.973.7174.2-48.80000110.1P860 F864P860-T862 PolarHBondContact O-N 2.84Å; T862-F864 HydrophobicContact CG2-CD2 4.03Å; T862-F864 HydrophobicContact CG2-CE2 3.69Å; T862-F864 HydrophobicContact CG2-CZ 4.21Å; T862-F864 PolarHBondContact O-N 2.92Å
863V30.8Very low34Very low105 Ų105147.9 Ų147.964%0.63677%0.772SS**  trans-69101.9168.9-1780000107L861 T865L861-V863 HydrophobicContact CB-CG2 4.31Å; L861-V863 PolarHBondContact O-N 3.1Å; V863-T865 VanDerWaalsContact C-N 3.25Å; V863-T865 HydrophobicContact CG1-CG2 4.03Å; V863-T865 PolarHBondContact O-N 3.19Å
864F31.6Very low34.2Very low179 Ų179147.8 Ų147.879%0.78577%0.771SS**  trans-6788.3167.1-79.9-89.6000109T862 V866T862-F864 HydrophobicContact CG2-CD2 4.03Å; T862-F864 HydrophobicContact CG2-CE2 3.69Å; T862-F864 HydrophobicContact CG2-CZ 4.21Å; T862-F864 PolarHBondContact O-N 2.92Å; F864-V866 VanDerWaalsContact C-N 3.33Å; F864-V866 PolarHBondContact O-N 3.26Å
865T34Very low34.1Very low114 Ų114147.1 Ų147.170%0.69977%0.771SS**  trans-68.491.6168.549.80000108.8V863 D867V863-T865 VanDerWaalsContact C-N 3.25Å; V863-T865 HydrophobicContact CG1-CG2 4.03Å; V863-T865 PolarHBondContact O-N 3.19Å; T865-D867 PolarHBondContact O-N 3.42Å
866V34.8Very low34.1Very low114 Ų114149 Ų14969%0.69178%0.776SS**  trans-72.993.5171.4-179.30000108.1F864 T868F864-V866 VanDerWaalsContact C-N 3.33Å; F864-V866 PolarHBondContact O-N 3.26Å; V866-T868 PolarHBondContact O-N 3.49Å; V866-T868 PolarHBondContact O-OG1 2.99Å
867D32.8Very low33.9Very low157 Ų157146 Ų14684%0.8477%0.768SS**  trans-54.9105.5172.6-97.5-42.7000109.9T865T865-D867 PolarHBondContact O-N 3.42Å
868T39Very low34Very low115 Ų115141.8 Ų141.871%0.70676%0.761SS**  trans-112.2112.2179.4-52.40000106.9V866V866-T868 PolarHBondContact O-N 3.49Å; V866-T868 PolarHBondContact O-OG1 2.99Å
869P39.9Very low34.2Very low120 Ų120137.9 Ų137.978%0.77975%0.752SS**  trans-67.3147.9-16925.8-34.2000112.4
870N30.8Very low34.6Very low145 Ų145139.3 Ų139.378%0.77575%0.752SS**  trans-39.8134.2-179.2-82.7-74.7000114.9
871H36.2Very low34.5Very low188 Ų188140.1 Ų140.187%0.8775%0.75SS**  trans-139125.9140-122.1-72.7000111.1
872H33.1Very low34.9Very low159 Ų159141 Ų14174%0.73675%0.75SS**  trans-64.5137167.4-66.6-0.1000109.9
873H36.1Very low34.9Very low187 Ų187142.2 Ų142.287%0.86675%0.752SS**  -165.4170.4112.2-114.59.5000114.9
874H34.8Very low35.2Very low177 Ų177142.9 Ų142.982%0.81976%0.756SS**  trans-62.8142.9-173.9-93.9-96.8000114.2N876H874-N876 PolarHBondContact O-N 2.97Å
875H33.8Very low35.1Very low184 Ų184140.6 Ų140.685%0.85275%0.752SS**  trans-63126.4156.2-127.2-78.8000109.8
876N32.7Very low35.1Very low152 Ų152144.2 Ų144.281%0.81376%0.758SS**  trans-144.7144154.8-165.68.4000109.5H874H874-N876 PolarHBondContact O-N 2.97Å
877S33.6Very low34.9Very low91 Ų91145.3 Ų145.364%0.63676%0.76SS**  trans-90.5131.8-169.2-54.60000112
878N35.7Very low35Very low148 Ų148145.8 Ų145.879%0.79176%0.758SS**  trans-170141.9130.8-117-58.4000116.8
879S37.6Very low34.9Very low85 Ų85145.3 Ų145.359%0.59476%0.755SS**  trans58.1129.3135-750000124
880N37.5Very low34.6Very low128 Ų128146.3 Ų146.368%0.68475%0.754SS**  trans82.399.9132.4-62.5-16.2000122.5
881N35.2Very low35Very low131 Ų131143.9 Ų143.970%0.70175%0.748SS**  74.9146.6115.5-59.6-16.9000122.7
882H40.8Very low34.9Very low173 Ų173142.2 Ų142.280%0.80175%0.745SS**  trans65.6119.8175.1-58.6-54000116.1
883N31.7Very low34.8Very low134 Ų134140.8 Ų140.872%0.71775%0.752SS**  69.899.751.5-177.950.5000114.3
884V38.3Very low34.7Very low119 Ų119139.1 Ų139.172%0.72175%0.748SS**  -150.9141.3120.2176.10000108F886V884-F886 HydrophobicContact CG1-CD2 3.92Å; V884-F886 HydrophobicContact CG1-CE2 4.32Å
885N28.6Very low34.7Very low131 Ų131136.7 Ų136.770%0.70175%0.745SS**  trans-95.7133.3169.1178.84.3000110
886F34Very low34.7Very low190 Ų190133.8 Ų133.883%0.83374%0.743SS**  trans-134.8133.5168-110.8-83.5000110.3V884V884-F886 HydrophobicContact CG1-CD2 3.92Å; V884-F886 HydrophobicContact CG1-CE2 4.32Å
887N30Very low34.7Very low137 Ų137133.2 Ų133.273%0.73375%0.745SS**  trans-142.3117.8-168-178.64.3000109.5
888Q35.6Very low34.8Very low167 Ų167134.6 Ų134.678%0.7876%0.755SS**  trans-155.2106.2174.7-126.4170.535.100115.4
889T36.3Very low34.6Very low105 Ų105133 Ų13364%0.64476%0.756SS**  trans70.4136135.152.60000123.4
890N34.9Very low34.5Very low142 Ų142136.8 Ų136.876%0.75977%0.768SS**  trans78.1136.6154.5-57.5-11.5000118.9
891S39Very low34.5Very low93 Ų93137 Ų13765%0.6577%0.769SS**  cis-165.7159.7-14.6-1020000111.9
892N33Very low34.3Very low153 Ų153136.9 Ų136.982%0.81877%0.768SS**  trans6592.7157.7-60-3.5000120
893C31.9Very low34Very low129 Ų129134.8 Ų134.887%0.87276%0.763SS**  -144.4144.8127.1-166.60000108.4
894I34.7Very low34.2Very low152 Ų152136.1 Ų136.178%0.77977%0.765SS**  trans-110.8124.8-170.6-62.9174.9000110.7
895T33.7Very low33.9Very low126 Ų126135 Ų13577%0.77376%0.763SS**  trans-132.2129.9161.444.20000109.4
896P34.6Very low34Very low124 Ų124133.9 Ų133.981%0.80577%0.765SS**  trans-99.6112.517533.9-28.1000111.5
897T32.7Very low33.9Very low140 Ų140130.7 Ų130.786%0.85977%0.765SS**  trans-123.3114.6156.246.50000108.4
898S35.4Very low33.9Very low120 Ų120132.9 Ų132.984%0.83977%0.768SS**  trans-91.5136.6-178.3390000111.2
899S30.7Very low33.7Very low115 Ų115130.8 Ų130.880%0.80477%0.767SS**  trans-124129.5177.854.60000111.6
900L36.5Very low33.5Very low164 Ų164130.6 Ų130.686%0.85977%0.77SS**  trans-154.6151172.2-75.5103.5000107.2
901N36.4Very low33.3Very low131 Ų131131.8 Ų131.870%0.70178%0.776SS**  cis-157.5169.1-26.3-170.64.1000106.6
902N30.8Very low33Very low129 Ų129131.3 Ų131.369%0.6978%0.777SS**  trans-61147.8-179.9-55.5-89.7000113.6
903N35.3Very low33Very low129 Ų129129.2 Ų129.269%0.6978%0.775SS**  170.4131.6110.4-90.7-59.9000116
904Q34.6Very low33.2Very low162 Ų162129.5 Ų129.576%0.75777%0.766SS**  trans67.5129131.3-68.1178.551.100125.2
905S33.2Very low33.1Very low96 Ų96129 Ų12967%0.67177%0.765SS**  trans87.886.6130.5-61.10000124.3
906S29.5Very low33.2Very low108 Ų108127.7 Ų127.776%0.75576%0.761SS**  43116117.365.20000124.1
907C31.9Very low33.1Very low123 Ų123129.7 Ų129.783%0.83176%0.763SS**  trans-177.7155.5143.4540000111
908F30.7Very low33.2Very low182 Ų182126.6 Ų126.680%0.79876%0.759SS**  cis-170.6131.8-32-125.8-80.8000107.8
909T31.3Very low33.1Very low123 Ų123124.4 Ų124.476%0.75576%0.756SS**  trans60.1146.4161.348.90000120.6
910S32.6Very low33.1Very low101 Ų101129.7 Ų129.771%0.70677%0.765SS**  cis-171.2-175.6-5-103.80000112.5
911L31.2Very low32.9Very low167 Ų167128.3 Ų128.387%0.87476%0.758SS**  trans85.1149.4172.9-52.9176.7000116.2
912A32.9Very low32.8Very low83 Ų83128.1 Ų128.169%0.68676%0.761SS**  cis90.3143.217.600000115.1
913S32.8Very low32.6Very low110 Ų110128.2 Ų128.277%0.76976%0.762SS**  cis-171.4165.84.5-110.70000110
914I35.1Very low32.5Very low135 Ų135130.6 Ų130.669%0.69277%0.769SS**  cis-170.2156.9-14.6-151.5176.4000111.6
915N34.1Very low32.2Very low142 Ų142128.5 Ų128.576%0.75977%0.767SS**  trans61.5159.7160.6-65.9-14.1000122.4
916S33.9Very low32.2Very low98 Ų98131.8 Ų131.869%0.68578%0.775SS**  cis-177.2157.8-35.1-159.80000113.4
917I34.4Very low32.2Very low166 Ų166131.7 Ų131.785%0.85178%0.775SS**  trans70.4156.1165.8-68.6164.6000117.2
918G33.3Very low32.4Very low75 Ų75131.6 Ų131.677%0.77377%0.773SS**  cis127.8145.9-2.700000113.5
919G34.1Very low32.5Very low74 Ų74129.8 Ų129.876%0.76378%0.777SS**  cis177.5-163.3-0.900000113.3
920F31.2Very low32.4Very low226 Ų226131.2 Ų131.299%0.99178%0.78SS**  trans89.4177.3171.1-79.7-84.7000122.4
921N31.5Very low32.4Very low135 Ų135133.6 Ų133.672%0.72279%0.79SS**  trans-155.7159.9-139.3-179.16.9000114.5
922V34.4Very low32.3Very low127 Ų127131.2 Ų131.277%0.7779%0.787SS**  trans148.7141.7137.2168.60000117.2
923N27.6Very low32.3Very low131 Ų131132.7 Ų132.770%0.70179%0.793SS**  trans-58.8152-173.5-45.3-21.8000120.9
924Q32.5Very low32.1Very low179 Ų179133 Ų13384%0.83680%0.795SS**  166.7124.1113.9-90178.772.800110.9
925T27.5Very low31.9Very low118 Ų118131.8 Ų131.872%0.72480%0.798SS**  74.6109.573.7-46.60000115.5
926I33.6Very low31.7Very low164 Ų164131.5 Ų131.584%0.84180%0.802SS**  trans176143.7130-89.5159.6000112.5
927S29.6Very low31.5Very low107 Ų107130.6 Ų130.675%0.74880%0.796SS**  trans-36.9159-173.2-470000123.7
928P35.5Very low31.4Very low121 Ų121129.4 Ų129.479%0.78679%0.787SS**  trans-104.9173.9172.741.9-35.7000114.9
929T33.7Very low31.3Very low143 Ų143133.8 Ų133.888%0.87779%0.791SS**  trans-141.8152162.145.20000112.8
930N28.4Very low31.2Very low154 Ų154137 Ų13782%0.82479%0.789SS**  trans-86.5158-171.9-47-51.8000114.1
931T33.1Very low31.1Very low151 Ų151134.4 Ų134.493%0.92678%0.779SS**  -159.9162.3118.412.90000110.9
932S29Very low30.9Very low116 Ų116135.6 Ų135.681%0.81178%0.781SS**  trans-132.5128.3-158.855.60000114.6
933S32.7Very low30.7Very low115 Ų115135.7 Ų135.780%0.80478%0.781SS**  trans-163.1104.6153.954.20000109
934S29.1Very low31Very low116 Ų116137.4 Ų137.481%0.81179%0.79SS**  7858.478.1-173.20000114.9
935S31.8Very low31Very low109 Ų109134.9 Ų134.976%0.76279%0.79SS**  trans-167.6103.9141.4-80.90000111
936T29.8Very low31.3Very low136 Ų136134.7 Ų134.783%0.83479%0.791SS**  trans-57.5132.3168.242.70000111.4
937S28.1Very low31.3Very low80 Ų80133.5 Ų133.556%0.55979%0.786SS**  cis59.7133.48.2100.10000114.9
938E33.3Very low31.3Very low141 Ų141135.4 Ų135.466%0.65979%0.793SS**  cis-122.3168.3-7.2-73.395.7-136.500109I940E938-I940 HydrophobicContact CB-CG1 4.31Å
939I30.8Very low31.3Very low167 Ų167136.3 Ų136.386%0.85679%0.791SS**  cis55.451.944.5-38.9-177.4000113.8
940I31.5Very low31.3Very low141 Ų141134.7 Ų134.772%0.72378%0.782SS**  trans-11689.4158.2-57-175.1000109.7E938E938-I940 HydrophobicContact CB-CG1 4.31Å
941H28.8Very low31.4Very low171 Ų171131.9 Ų131.979%0.79278%0.775SS**  trans-69.2140.3153.9-117.6-88.8000108.3
942Q28.9Very low31.5Very low160 Ų160133.4 Ų133.475%0.74878%0.776SS**  trans65.7122.3169.9-49.5175.316.400116.4
943V29.7Very low31.8Very low130 Ų130134 Ų13479%0.78877%0.771SS**  165.9101.2111.8161.90000107.8
944L33.4Very low31.8Very low167 Ų167136.4 Ų136.487%0.87477%0.769SS**  trans-166.3106.9138.7-135.366.2000110.4
945C32.6Very low32.1Very low126 Ų126138.4 Ų138.485%0.85177%0.769SS**  trans-90.5155.7160.3-59.90000108.6
946P34.3Very low32.3Very low113 Ų113137.8 Ų137.873%0.73476%0.76SS**  trans-125.2123.3147.132.5-21.1000112.7
947L32.5Very low32.4Very low140 Ų140139.2 Ų139.273%0.73376%0.759SS**  trans42.999.2151.3-68.679.6000118.2L949L947-L949 HydrophobicContact CD2-CD1 4.41Å
948T30.9Very low32.6Very low146 Ų146143.1 Ų143.190%0.89677%0.769SS**  trans-63.8126.7139.1-35.20000108.6
949L35.7Very low32.7Very low141 Ų141144.6 Ų144.674%0.73878%0.776SS**  trans-115.3147.3162-84.7169.3000109.1L947L947-L949 HydrophobicContact CD2-CD1 4.41Å
950P33.2Very low32.8Very low108 Ų108142.7 Ų142.770%0.70177%0.772SS**  trans-89.9162.6-160.435.8-37.7000114.4
951S30.4Very low33Very low96 Ų96142 Ų14267%0.67177%0.769SS**  trans41.8114.7148.2-59.50000119.5
952L35.6Very low33.4Very low182 Ų182139.3 Ų139.395%0.95377%0.77SS**  -136130121.3-145.572.7000109.8
953D35.3Very low33.6Very low130 Ų130138.4 Ų138.470%0.69577%0.77SS**  trans-82.1139.7-167.7-73.6-79000114.2I955D953-I955 PolarHBondContact O-N 2.76Å
954H32.6Very low34Very low165 Ų165138.2 Ų138.276%0.76477%0.77SS**  trans26.586.3132.6-139.387.1000117.6T956H954-T956 PolarHBondContact CD2-OG1 2.87Å; H954-T956 VanDerWaalsContact CD2-OG1 3.27Å; H954-T956 PolarHBondContact NE2-OG1 3.3Å; H954-T956 VanDerWaalsContact NE2-OG1 3.1Å
955I36Very low34.1Very low158 Ų158135.9 Ų135.981%0.8176%0.763SS**  trans-111.5102.1151.5-62.9-177000108.4D953 M957D953-I955 PolarHBondContact O-N 2.76Å; I955-M957 PolarHBondContact O-N 3.25Å
956T34.7Very low34.3Very low96 Ų96135.6 Ų135.659%0.58976%0.757SS**  trans-75.6110.8172.4-43.80000109.8H954H954-T956 PolarHBondContact CD2-OG1 2.87Å; H954-T956 VanDerWaalsContact CD2-OG1 3.27Å; H954-T956 PolarHBondContact NE2-OG1 3.3Å; H954-T956 VanDerWaalsContact NE2-OG1 3.1Å
957M33.2Very low34.2Very low165 Ų165136.4 Ų136.481%0.81376%0.76SS**  trans-126.7124.2155-87.1-86.173.300109.2I955I955-M957 PolarHBondContact O-N 3.25Å
958Q31.3Very low34.4Very low163 Ų163135.5 Ų135.576%0.76276%0.761SS**  trans-73.5130.2176.5-65.2166.8-23.500109.2
959H34.8Very low34.4Very low172 Ų172133 Ų13380%0.79676%0.755SS**  trans-141.9115.1147.1-124-91.2000109.2D961H959-D961 IonicContact ND1-OD2 3.33Å; H959-D961 PolarHBondContact ND1-OD2 3.35Å
960T34.5Very low34.5Very low127 Ų127134 Ų13478%0.77976%0.759SS**  trans-92.1114.5176.547.40000109.3
961D34.3Very low34.7Very low125 Ų125135.8 Ų135.867%0.66876%0.763SS**  trans-132.994.1170.2-82.1-67.8000110.2H959 N963H959-D961 IonicContact ND1-OD2 3.33Å; H959-D961 PolarHBondContact ND1-OD2 3.35Å; D961-N963 PolarHBondContact O-N 3.21Å
962S36.8Very low34.9Very low115 Ų115136.1 Ų136.180%0.80477%0.771SS**  trans-87.598.6178.6-58.30000110.9
963N34.5Very low35Very low141 Ų141134 Ų13475%0.75477%0.766SS**  trans-102.777.7176.2-91.5-43.2000113.1D961 T965D961-N963 PolarHBondContact O-N 3.21Å; N963-T965 PolarHBondContact O-N 3.25Å
964T38.4Very low35Very low127 Ų127135.2 Ų135.278%0.77977%0.773SS**  trans-7989.5155.946.50000109.3T966T964-T966 PolarHBondContact O-N 3.39Å
965T35.1Very low35.2Very low118 Ų118134 Ų13472%0.72478%0.777SS**  trans-75.582.8-179.5-49.40000111.6N963N963-T965 PolarHBondContact O-N 3.25Å
966T35.8Very low35.2Very low120 Ų120132 Ų13274%0.73677%0.772SS**  trans-84.2112.3166-55.70000109.6T964 T968T964-T966 PolarHBondContact O-N 3.39Å; T966-T968 PolarHBondContact O-N 3.41Å
967T32.2Very low35.2Very low130 Ų130135.4 Ų135.480%0.79879%0.785SS**  trans-67.4113.6-179.6-54.80000111.9
968T36.8Very low35.4Very low121 Ų121132.9 Ų132.974%0.74278%0.779SS**  trans-149.6125.1158.4-60.20000108.6T966T966-T968 PolarHBondContact O-N 3.41Å
969A31.7Very low35.7Very low93 Ų93132 Ų13277%0.76978%0.779SS**  trans-89.1134.4-174.700000112.1
970I37.6Very low35.9Very low161 Ų161129.7 Ų129.783%0.82677%0.773SS**  trans-136.2134.7162.2-60-177.2000107.8
971N36.5Very low36.1Very low147 Ų147131.4 Ų131.479%0.78678%0.777SS**  trans-68.1142.1-175.4-68.3-18000112.6
972A35.7Very low36.3Very low103 Ų103135.8 Ų135.885%0.85179%0.785SS**  trans-96.5130.7167.900000110.8
973T38.3Very low36.6Very low138 Ų138136.4 Ų136.485%0.84778%0.783SS**  trans-125.6140166.241.10000110.1
974N35.3Very low37Very low155 Ų155139 Ų13983%0.82981%0.813SS**  trans-62.9143.5-172.4-62.6-51.5000113
975T36.9Very low36.9Very low139 Ų139139.6 Ų139.685%0.85381%0.814SS**  trans-145.2122.6130.6-39.30000110.6
976T34.7Very low37Very low117 Ų117140.7 Ų140.772%0.71882%0.819SS**  trans-85.5148.3171-42.80000109.9
977I35.8Very low37Very low167 Ų167141.9 Ų141.986%0.85682%0.824SS**  trans-158.8144.3143.4-105.5149.1000110.9
978T36.7Very low37.3Very low111 Ų111142.6 Ų142.668%0.68183%0.825SS**  trans-105.9150.4-170.6-14.30000111.6
979N38.3Very low37.4Very low144 Ų144143.9 Ų143.977%0.7783%0.83SS**  trans-166.3106138-108.7-43.9000115.6
980N37.3Very low37.7Very low125 Ų125147.3 Ų147.367%0.66883%0.834SS**  34.2112.5125.4-60.4-45.4000120.7
981N40.2Very low37.8Very low162 Ų162146.4 Ų146.487%0.86684%0.835SS**  -170.1145.8121.5-94.7-39.8000109.1
982R38Very low37.9Very low217 Ų217146.3 Ų146.382%0.81984%0.839SS**  cis175.6106.6-31.9168179.2176.11720.8104.2
983V43.8Very low38Very low128 Ų128149.9 Ų149.978%0.77684%0.838SS**  trans45.1105.6152.4-172.10000118.2
984S41.2Very low38Very low196 Ų196151 Ų151100%1.37184%0.837SS**  -147.40113.6-70.80000109

Retrieved 984 of 984 residues in 301.5 ms (Link to these results)