A0A087WUU7_HUMAN Loading...

Microtubule associated serine/threonine kinase like

AlphaFold DB , UniProt , Accession A0A087WUU7, Species HUMAN (Homo sapiens, Human), Gene MASTL, Length 479 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1E36.4Very low35.2Very low240 Ų240146.6 Ų146.6100%1.12284%0.836SS**  0106.30-171.1167.8-179.400106.2
2S35.7Very low34.6Very low107 Ų107144.3 Ų144.375%0.74884%0.835SS**  trans44.1100.3178.553.40000116.7
3D37.2Very low34.1Very low152 Ų152149.7 Ų149.781%0.81383%0.833SS**  63.9101.451.7-67.1-15.1000116.6
4E38.4Very low33.9Very low195 Ų195148.8 Ų148.891%0.91183%0.826SS**  trans41.4136.7132.7-62.7-171.1142.600122.9
5A34.9Very low33.7Very low91 Ų91145.1 Ų145.175%0.75282%0.823SS**  trans-132.5123.1166.200000110.5
6L36.8Very low33.6Very low183 Ų183144.1 Ų144.196%0.95882%0.82SS**  172.6141.5122.6-95.6161.7000113.9
7G34.2Very low33.6Very low68 Ų68144.6 Ų144.670%0.70181%0.814SS**  trans91.8133.517800000112.4
8P42.8Very low33.5Very low121 Ų121144.9 Ų144.979%0.78681%0.805SS**  -14916952.342.2-23.2000118
9T29.3Very low33.3Very low127 Ų127145.5 Ų145.578%0.77981%0.806SS**  trans61.5134.6135.2-61.90000124.1
10M28.8Very low33Very low167 Ų167143.8 Ų143.882%0.82380%0.803SS**  trans105.7110.5143.5-107.1171.4159.600122.7
11M32.4Very low32.9Very low162 Ų162142 Ų14280%0.79881%0.806SS**  trans41.3124.7130.2-62-65.2-162.100121.8
12S28.2Very low32.8Very low119 Ų119139.5 Ų139.583%0.83279%0.792SS**  trans-152.8153.4144.6-171.50000111.1
13W28.8Very low32.7Very low214 Ų214140.3 Ų140.381%0.81180%0.797SS**  trans-119.8164.7-174.1-94.746.2000112.2
14N30.6Very low32.7Very low137 Ų137136.6 Ų136.673%0.73379%0.788SS**  trans96.7103.1155.5-61.6-37.3000120.9
15A30.6Very low32.5Very low94 Ų94135.1 Ų135.178%0.77779%0.786SS**  66.8128.5111.200000122.1
16V32.8Very low32.4Very low129 Ų129134.5 Ų134.578%0.78278%0.781SS**  trans-160114.3137.7144.90000107.6
17E32.7Very low32.3Very low153 Ų153133.2 Ų133.272%0.71577%0.773SS**  trans52.1147.5131.2-63-150.5145.200123.1
18K32.5Very low32.2Very low149 Ų149139.1 Ų139.165%0.64878%0.783SS**  cis-152.7153.6-1.4-82.7-132.6179.6178.30113.7
19L29.6Very low31.9Very low157 Ų157139.7 Ų139.782%0.82278%0.784SS**  trans55.1111.3138.6-64.8172.2000124.4
20C27.5Very low32.2Very low110 Ų110143.4 Ų143.474%0.74379%0.789SS**  trans-37.1149149.1-173.60000118.9
21A30.6Very low32.4Very low106 Ų106139 Ų13988%0.87679%0.787SS**  trans-145143.6134.400000110.5
22K35.6Very low32.5Very low189 Ų189141.4 Ų141.482%0.82279%0.793SS**  trans-143.4142.1-177.5178.5171.5-177.3170.80109.6
23S33.6Very low32.9Very low123 Ų123143.7 Ų143.786%0.8680%0.796SS**  trans-140.6157.3154.867.10000109.6
24A37Very low33.4Very low74 Ų74143 Ų14361%0.61280%0.799SS**  trans-142163.7-169.800000110.2
25N32.4Very low33.7Very low165 Ų165145.4 Ų145.488%0.88280%0.803SS**  trans167.4145.1147-82.6-21.3000107.3
26A33.3Very low33.9Very low77 Ų77148.8 Ų148.864%0.63681%0.808SS**  cis175122.7-32.400000105.2
27I36.2Very low34.2Very low156 Ų156150.7 Ų150.780%0.881%0.813SS**  trans55.3114.8147.5-51.7164.6000118.9
28E30.5Very low34.3Very low193 Ų193151.4 Ų151.490%0.90282%0.816SS**  -150.8137.4121.5-125.4-178-143.600110.9
29T36.8Very low34.3Very low132 Ų132151.4 Ų151.481%0.8182%0.822SS**  trans-118.8130.2-177.744.40000110.5
30K36.8Very low34.5Very low206 Ų206149 Ų14990%0.89683%0.825SS**  trans-131.1120165.4-113175.2-179.3170.30109.8
31G31.5Very low34.9Very low75 Ų75151.6 Ų151.677%0.77383%0.831SS**  trans-77.3147.2-171.800000113.6
32F34.7Very low34.9Very low212 Ų212152.3 Ų152.393%0.9383%0.83SS**  trans-77.1127165.2-78.4-98.8000110
33N38Very low35.1Very low167 Ų167148.7 Ų148.789%0.89383%0.825SS**  trans-105117.3163-79.1-33.3000109.3
34K39.5Very low35.1Very low198 Ų198149.2 Ų149.286%0.86182%0.817SS**  trans-75.9134.1161-87.2179.4171.3178.10108.8
35K36.1Very low34.8Very low188 Ų188153.8 Ų153.882%0.81783%0.825SS**  trans159.3126.4138.1-86.5152.4-174.4-175.30107.4
36D34.4Very low34.8Very low165 Ų165153.2 Ų153.288%0.88282%0.822SS**  -175.7107.5121.8-83.4-14.6000108.1
37L38.9Very low34.7Very low169 Ų169155.5 Ų155.589%0.88583%0.833SS**  trans-95.1130.6155.9-82.7160.1000105
38E34.4Very low34.5Very low169 Ų169153.8 Ų153.879%0.7984%0.836SS**  169.7136.6122-92.7-179.8-171.200113.5
39L34.1Very low34.5Very low148 Ų148149.1 Ų149.178%0.77583%0.83SS**  trans53.3104.8137.3-56.4171.2000120.5
40A33.3Very low34.3Very low107 Ų107150.9 Ų150.988%0.88483%0.833SS**  trans-149.381.913500000111
41L34.7Very low34.1Very low164 Ų164146.9 Ų146.986%0.85983%0.828SS**  trans-87.5134.9156.2-77.1172.8000108.5
42S31.6Very low34Very low122 Ų122149.3 Ų149.385%0.85383%0.829SS**  trans-154.3138.5154.8-79.60000110.2
43P39.7Very low33.7Very low112 Ų112145.7 Ų145.773%0.72782%0.824SS**  trans-126.1-172.6-164.630.6-6.9000114.1
44I32.2Very low33.1Very low134 Ų134141.1 Ų141.169%0.68782%0.816SS**  trans67.2110.2159.5-18-179.8000117.7
45H31.9Very low32.5Very low170 Ų170143.4 Ų143.479%0.78782%0.819SS**  -176.1142.197.5-110.2-76.9000115.8
46N32Very low32.2Very low154 Ų154139.4 Ų139.482%0.82482%0.815SS**  trans-70.6143172.4-59.1-36.9000111.8
47S31Very low31.8Very low124 Ų124137.1 Ų137.187%0.86781%0.811SS**  trans-157.1142.6141.251.80000112
48S31.5Very low31.5Very low121 Ų121135.5 Ų135.585%0.84681%0.807SS**  trans-81.6132.2179.451.30000112.4
49A32Very low31.1Very low95 Ų95134.8 Ų134.879%0.78581%0.809SS**  trans-160.5124153.900000112
50L31.1Very low31.1Very low168 Ų168135.9 Ų135.988%0.8882%0.815SS**  trans-69.7150.9153.5-80.5158.5000108.8
51P33.9Very low30.9Very low122 Ų122134.8 Ų134.879%0.79281%0.806SS**  -135.6157.4121.736.9-27.7000114.6
52T28.3Very low30.9Very low127 Ų127136.5 Ų136.578%0.77981%0.806SS**  trans-86.2153.3-176.514.60000113.8
53T28.1Very low30.9Very low136 Ų136139.2 Ų139.283%0.83480%0.803SS**  trans64.1105.2143.3-52.10000120.4
54G26.2Very low30.5Very low70 Ų70140.2 Ų140.272%0.72281%0.811SS**  96.396.111300000121
55R27.6Very low30.4Very low247 Ų247143 Ų14393%0.93282%0.818SS**  trans-173.2116.8138.9-105.4169.9169.7-178.9-4.4107.6
56S28.5Very low30.6Very low103 Ų103140.7 Ų140.772%0.7282%0.821SS**  82.2113.966.6-167.60000113.2
57C27.8Very low30.5Very low118 Ų118136.6 Ų136.680%0.79782%0.815SS**  trans53.3146.1169.462.20000118
58V30.9Very low30.5Very low134 Ų134139.8 Ų139.881%0.81282%0.816SS**  cis-144.8152.435.21710000111.6
59N27.3Very low30.5Very low155 Ų155139.7 Ų139.783%0.82981%0.811SS**  trans-68.7146175.6-60.5-64.5000113.9
60L34.2Very low30.4Very low171 Ų171140.2 Ų140.290%0.89581%0.809SS**  trans-148.1119.1145.5-141.6151.1000111.2
61A29.3Very low30.3Very low84 Ų84144.2 Ų144.269%0.69481%0.812SS**  trans-93.4152.9-168.800000113.9
62K34.4Very low30Very low199 Ų199147 Ų14787%0.86582%0.815SS**  trans-159.895.3151.1-99.4155.3-172.4-178.60107.3
63K31.4Very low30.1Very low180 Ų180145.6 Ų145.678%0.78382%0.816SS**  56.199.8101.9-90.1-168.1173.4-174.10114.5
64C30.9Very low30.1Very low132 Ų132145.2 Ų145.289%0.89281%0.813SS**  trans-142.9128.1133.5-89.50000107.4
65F30.1Very low30.3Very low193 Ų193150.6 Ų150.685%0.84682%0.82SS**  trans-88.1138.1169.4-71.5-97000108
66S35.5Very low30.5Very low121 Ų121146.5 Ų146.585%0.84682%0.815SS**  trans-115.9129.6162.3-169.10000107.7
67G29.8Very low30.5Very low68 Ų68148 Ų14870%0.70182%0.815SS**  trans-73.8137.1-175.400000112.1
68E31.8Very low30.9Very low191 Ų191148.8 Ų148.889%0.89382%0.816SS**  trans-82.4118.7163.6-169.1167.1-15000107.2
69V31.3Very low31Very low120 Ų120149 Ų14973%0.72781%0.812SS**  trans-109.8106.2177.7178.10000108.7
70S30.2Very low31.1Very low106 Ų106147.2 Ų147.274%0.74180%0.803SS**  trans-65.6137.6170.1-49.50000110.5E72S70-E72 PolarHBondContact O-N 3.44Å
71W28.3Very low31.1Very low251 Ų251146.9 Ų146.995%0.95180%0.801SS**  trans-85104.9169-68.895.7000109.5
72E28.2Very low31.2Very low181 Ų181148.6 Ų148.685%0.84680%0.798SS**  trans-93.5127.1174.1-161.7162.2-136.400109S70S70-E72 PolarHBondContact O-N 3.44Å
73A29.5Very low31.1Very low98 Ų98147.2 Ų147.281%0.8180%0.797SS**  trans-81.4123.2-176.900000110.4
74V29.8Very low31Very low128 Ų128144.9 Ų144.978%0.77679%0.793SS**  trans-100.2110.1175.8178.10000109.2
75E29.8Very low31.1Very low183 Ų183144.5 Ų144.586%0.85579%0.786SS**  trans-70.6144.6165.9-62.7-178.4143.400110
76L31.4Very low30.8Very low161 Ų161142.9 Ų142.984%0.84379%0.787SS**  trans-117.4112.9168.3-78.5178000110.4
77D28.1Very low30.5Very low134 Ų134142.9 Ų142.972%0.71778%0.782SS**  trans-79.7131.6178.1-171.124.3000110.4N79D77-N79 PolarHBondContact OD2-ND2 3.39Å
78V36.9Very low30.4Very low135 Ų135144.4 Ų144.482%0.81878%0.782SS**  trans-134.9114.3171.2-179.40000109.2
79N32.5Very low30.4Very low137 Ų137143.9 Ų143.973%0.73378%0.779SS**  trans-78160.1-171.7-95.3-76.6000114.6D77D77-N79 PolarHBondContact OD2-ND2 3.39Å
80N29Very low30.1Very low119 Ų119144.8 Ų144.864%0.63678%0.779SS**  trans-83.3145-166.3-168.59000114
81I34.6Very low29.9Very low164 Ų164142.7 Ų142.784%0.84177%0.774SS**  trans-137.9120.9158.7-62.5-175.4000109
82N32.2Very low29.9Very low119 Ų119139.1 Ų139.164%0.63677%0.766SS**  trans-82156.6178.1-61-42.5000112.7
83M32.7Very low29.9Very low171 Ų171137.1 Ų137.184%0.84276%0.756SS**  trans173.4147.3134.5-80.6-28.7-144.200107.5
84D27.3Very low30.1Very low130 Ų130139.8 Ų139.870%0.69575%0.752SS**  cis180167.2-29.3-135.7-21.9000105.5
85T33.1Very low30.1Very low124 Ų124137.7 Ų137.776%0.76174%0.743SS**  trans72.189.5165.858.40000122.3
86D25.5Very low30.1Very low160 Ų160134.6 Ų134.686%0.85673%0.732SS**  44.2145104.7-95.4-26.8000125.5
87T28.9Very low30.1Very low121 Ų121132.9 Ų132.974%0.74272%0.72SS**  trans115.4137.2138.9-620000121.3
88S27.4Very low29.9Very low100 Ų100137 Ų13770%0.69973%0.725SS**  trans77.9106.8162.963.80000117.9
89Q30.8Very low29.5Very low179 Ų179134.4 Ų134.484%0.83672%0.719SS**  82.1127.175.1-81-165-16.400112.8
90L26.7Very low29.3Very low140 Ų140134 Ų13473%0.73372%0.72SS**  cis115128.340.5-128.7160.8000108.6F92L90-F92 HydrophobicContact CD2-CD2 3.89Å; L90-F92 HydrophobicContact CD2-CE2 3.41Å; L90-F92 VanDerWaalsContact CD2-CE2 3.41Å; L90-F92 HydrophobicContact CD2-CZ 4.01Å
91G24.8Very low29.2Very low61 Ų61135.6 Ų135.663%0.62973%0.729SS**  trans145.987.3-177.600000110.8
92F27.6Very low29Very low176 Ų176133 Ų13377%0.77273%0.726SS**  57.8137.782.8-64.8-63.3000113.2L90L90-F92 HydrophobicContact CD2-CD2 3.89Å; L90-F92 HydrophobicContact CD2-CE2 3.41Å; L90-F92 VanDerWaalsContact CD2-CE2 3.41Å; L90-F92 HydrophobicContact CD2-CZ 4.01Å
93H30Very low28.8Very low140 Ų140131.1 Ų131.165%0.64873%0.734SS**  cis-158.4148.532.9-131.8-87.2000112
94Q32.3Very low28.5Very low153 Ų153126.4 Ų126.472%0.71573%0.729SS**  trans44.2123141-87.4179.8-21.100122.3
95S31.4Very low28.6Very low84 Ų84128 Ų12859%0.58774%0.736SS**  102.7159.769.981.60000112.4
96N29.5Very low28.4Very low118 Ų118128 Ų12863%0.63174%0.741SS**  cis-154.3159.419.4-101.8-41.2000111.4
97Q30.2Very low28.9Very low126 Ų126129.2 Ų129.259%0.58974%0.742SS**  27.9150.1128.2-48175.158.200120.2
98W25.5Very low28.9Very low219 Ų219133 Ų13383%0.8375%0.751SS**  cis-145.7150.118.2-90.3-74.5000107.9
99A27Very low29.5Very low82 Ų82137.2 Ų137.268%0.67876%0.759SS**  89.6152.450.800000116
100V27.9Very low29.7Very low127 Ų127137.1 Ų137.177%0.7776%0.763SS**  trans101.2104.4164.8-172.30000118.7
101D27.6Very low29.8Very low153 Ų153133.5 Ų133.582%0.81876%0.76SS**  trans38.8160.6130.2-69.4-24.9000123.8
102S30.6Very low31.2Very low111 Ų111141.3 Ų141.378%0.77678%0.776SS**  cis-174.5151.3-20174.80000109.7
103G27.5Very low31.8Very low79 Ų79143.4 Ų143.481%0.81478%0.779SS**  trans61.4126.3148.400000122
104G27Very low32.7Very low71 Ų71141.9 Ų141.973%0.73279%0.785SS**  trans170.976.216600000119.1
105I28.8Very low33.6Very low165 Ų165142.1 Ų142.185%0.84679%0.79SS**  trans37116138.8-54.8157.8000119.7
106S29.6Very low35.3Very low123 Ų123147.1 Ų147.186%0.8680%0.801SS**  160.8154.6115.148.60000113.1
107E36Very low37.1Very low186 Ų186147.6 Ų147.687%0.86979%0.794SS**  trans-114.5124.3-172.1168.9-179.5-146.400108.5
108E28.6Very low38.9Very low201 Ų201147.2 Ų147.294%0.93980%0.796SS**  trans-161.3154.9149-124.4-178.3175.900115.2
109H39.9Very low40.4Very low188 Ų188145.8 Ų145.887%0.8780%0.796SS**  trans-88.4111-166.9-127.4-104.8000111.8
110L35.1Very low42.2Very low176 Ų176150.6 Ų150.692%0.92180%0.804SS**  trans-143119.1164.9-85-176.9000114.9
111G29.3Very low43.8Very low64 Ų64149 Ų14966%0.6679%0.791SS**  trans63.2112.3140.800000118.7R113G111-R113 VanDerWaalsContact C-N 3.27Å; G111-R113 PolarHBondContact O-N 3.5Å
112K53Low45.6Very low225 Ų225145.1 Ų145.198%0.97877%0.772SS**  trans-60.884.3161.8-66.7172.7-178.7173.30110.6
113R41.3Very low46.7Very low220 Ų220147.3 Ų147.383%0.8378%0.776SS**  trans-100.9107.2175.1-156.8172.8-166.1164.83.2108.8G111 L115G111-R113 VanDerWaalsContact C-N 3.27Å; G111-R113 PolarHBondContact O-N 3.5Å; R113-L115 PolarHBondContact O-N 3.14Å
114S47.8Very low48.6Very low109 Ų109146.4 Ų146.476%0.76276%0.757SS**  trans-62.9104.417255.10000109.1K116S114-K116 PolarHBondContact O-N 3.03Å
115L52.9Low50.2Low158 Ų158147.9 Ų147.983%0.82776%0.756SS**  trans-63.3103173.2-102.666.7000108.7R113R113-L115 PolarHBondContact O-N 3.14Å
116K67Low51.8Low189 Ų189144 Ų14482%0.82274%0.741SS**PPolyproline II helixtrans-61.9139.5161.3-91.4-175.6171.3-178.10108S114S114-K116 PolarHBondContact O-N 3.03Å
117R67.6Low52.9Low128 Ų128142.6 Ų142.648%0.48373%0.731SS.*PPolyproline II helixtrans-72.1133.7177.8-36.4-167.2-53.3114.1-9.6107.9L121 V122R117-L121 PolarHBondContact NH1-O 3.26Å; R117-V122 PolarHBondContact NH2-O 3.39Å
118N66.3Low53.6Low117 Ų117142 Ų14263%0.62673%0.725SS**PPolyproline II helixtrans-73.3158.2173.2-69.1-21000110.3E120 L121N118-E120 VanDerWaalsContact C-N 3.32Å; N118-E120 PolarHBondContact O-N 3.14Å; N118-L121 PolarHBondContact O-N 3Å; N118-L121 VanDerWaalsContact O-N 3.07Å
119F58.7Low54.5Low190 Ų190140.4 Ų140.483%0.83372%0.715SS**G310 helixtrans-57.6-38.8-171.7-174.7-106.9000113.6L121 V122F119-L121 PolarHBondContact O-N 3.09Å; F119-L121 VanDerWaalsContact O-N 3.15Å; F119-V122 HydrophobicContact CD2-CG2 4.4Å; F119-V122 WeakPolarHBondContact O-CB 3.1Å; F119-V122 WeakPolarHBondContact O-CG2 3.39Å; F119-V122 PolarHBondContact O-N 3.3Å; F119-V122 VanDerWaalsContact O-N 3.13Å
120E63.7Low55.1Low183 Ų183136.6 Ų136.686%0.85570%0.7SS**G310 helixtrans-65.2-15.8178.5-67170.7127.600114.7N118N118-E120 VanDerWaalsContact C-N 3.32Å; N118-E120 PolarHBondContact O-N 3.14Å
121L60.9Low56Low94 Ų94132.2 Ų132.249%0.49268%0.677SS.*G310 helixtrans-98.93.8178.3-70.5168.5000112.4R117 N118 F119 D123 S124R117-L121 PolarHBondContact NH1-O 3.26Å; N118-L121 PolarHBondContact O-N 3Å; N118-L121 VanDerWaalsContact O-N 3.07Å; F119-L121 PolarHBondContact O-N 3.09Å; F119-L121 VanDerWaalsContact O-N 3.15Å; L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 3.45Å; L121-S124 WeakPolarHBondContact O-CB 3.29Å; L121-S124 PolarHBondContact O-N 3.31Å
122V65.2Low56.8Low70 Ų70135 Ų13542%0.42467%0.673SS.*THydrogen-bonded Turntrans-54.5-42-171.6165.30000112.1R117 F119 S124R117-V122 PolarHBondContact NH2-O 3.39Å; F119-V122 HydrophobicContact CD2-CG2 4.4Å; F119-V122 WeakPolarHBondContact O-CB 3.1Å; F119-V122 WeakPolarHBondContact O-CG2 3.39Å; F119-V122 PolarHBondContact O-N 3.3Å; F119-V122 VanDerWaalsContact O-N 3.13Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.22Å
123D55.2Low56.5Low158 Ų158131.4 Ų131.485%0.84566%0.664SS**THydrogen-bonded Turntrans-84.8-2.3-176.8-49.4-48.2000114L121L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 3.45Å
124S67.4Low57.1Low60 Ų60130.2 Ų130.242%0.4267%0.665SS.*SBendtrans-77.3124174.1-62.20000111.6L121 V122L121-S124 WeakPolarHBondContact O-CB 3.29Å; L121-S124 PolarHBondContact O-N 3.31Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.22Å
125S59Low57.6Low102 Ų102133.1 Ų133.171%0.71366%0.664SS**  trans-59.6140.7178.5-170.90000112.4C127S125-C127 PolarHBondContact O-N 2.89Å
126P63.1Low57.3Low82 Ų82131.7 Ų131.753%0.53266%0.662SS.*  trans-64.4106.6-176-21.132.9000112.9
127C52.7Low55.7Low95 Ų95128.3 Ų128.364%0.64266%0.66SS**  trans-55.1140.3177.2-62.90000112S125 K129 I130S125-C127 PolarHBondContact O-N 2.89Å; C127-K129 PolarHBondContact O-N 3.33Å; C127-I130 PolarHBondContact O-N 3.29Å
128K52Low54.4Low173 Ų173127.6 Ų127.675%0.75267%0.67SS**Hα-helixtrans-42.4-31.8-177.5-83.8179.6173.1175.80115.1I130 I131 Q132K128-I130 VanDerWaalsContact C-N 3.29Å; K128-I130 PolarHBondContact O-N 3.03Å; K128-I131 PolarHBondContact O-N 3.08Å; K128-I131 VanDerWaalsContact O-N 3.09Å; K128-Q132 PolarHBondContact O-N 3.35Å
129K47.5Very low52.7Low168 Ų168129.3 Ų129.373%0.7368%0.675SS**Hα-helixtrans-58.6-32.1179.2-139.7171.7-173.1177.10113.8C127C127-K129 PolarHBondContact O-N 3.33Å
130I52.3Low51.5Low108 Ų108130.3 Ų130.355%0.55467%0.674SS**Hα-helixtrans-76.6-35.1175.8-62.2174.3000110.9C127 K128C127-I130 PolarHBondContact O-N 3.29Å; K128-I130 VanDerWaalsContact C-N 3.29Å; K128-I130 PolarHBondContact O-N 3.03Å
131I52.5Low50.1Low83 Ų83129.1 Ų129.143%0.42667%0.666SS.*Hα-helixtrans-71.4-36.9-179.1-59.9171.5000110.8K128 N133 K134 K135K128-I131 PolarHBondContact O-N 3.08Å; K128-I131 VanDerWaalsContact O-N 3.09Å; I131-N133 VanDerWaalsContact C-N 3.35Å; I131-N133 PolarHBondContact O-N 3.12Å; I131-K134 PolarHBondContact O-N 3.08Å; I131-K134 VanDerWaalsContact O-N 3.1Å; I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 HydrophobicContact CG2-CG 4.49Å; I131-K135 PolarHBondContact O-N 3.4Å
132Q46.3Very low48.6Very low124 Ų124132.6 Ų132.658%0.57968%0.68SS**Hα-helixtrans-60.4-40.5178.4-76.7173.7-32.900112.6K128 K134 K135K128-Q132 PolarHBondContact O-N 3.35Å; Q132-K134 PolarHBondContact O-N 3.35Å; Q132-K135 PolarHBondContact O-N 3.48Å
133N46.6Very low47Very low149 Ų149136.4 Ų136.480%0.79770%0.698SS**THydrogen-bonded Turntrans-64.1-10.9176.9-72.47.1000114.3I131I131-N133 VanDerWaalsContact C-N 3.35Å; I131-N133 PolarHBondContact O-N 3.12Å
134K54.7Low45.8Very low195 Ų195137.1 Ų137.185%0.84870%0.696SS**THydrogen-bonded Turntrans-112.64.4-179.3-146.6-176.2-179.2-173.30113.6I131 Q132I131-K134 PolarHBondContact O-N 3.08Å; I131-K134 VanDerWaalsContact O-N 3.1Å; Q132-K134 PolarHBondContact O-N 3.35Å
135K57.8Low44.1Very low169 Ų169142 Ų14274%0.73571%0.714SS**  trans-119.67.2-175.7-76.8-162.9172.7-1670115.5I131 Q132 C137I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 HydrophobicContact CG2-CG 4.49Å; I131-K135 PolarHBondContact O-N 3.4Å; Q132-K135 PolarHBondContact O-N 3.48Å; K135-C137 PolarHBondContact O-N 2.74Å; K135-C137 VanDerWaalsContact O-N 3.09Å
136T46.3Very low42.6Very low128 Ų128143.3 Ų143.379%0.78572%0.718SS**  trans-84.180.7177-430000111.6
137C33.8Very low41.1Very low118 Ų118146.2 Ų146.280%0.79773%0.729SS**SBendtrans-147.4108.9164.4-91.20000110.9K135K135-C137 PolarHBondContact O-N 2.74Å; K135-C137 VanDerWaalsContact O-N 3.09Å
138V39.8Very low39.9Very low114 Ų114147.5 Ų147.569%0.69174%0.738SS**  trans59.8106.1160.1-166.10000117.7Y140V138-Y140 HydrophobicContact CG1-CD2 3.95Å; V138-Y140 HydrophobicContact CG1-CE2 3.89Å
139E32.3Very low39Very low153 Ų153149.8 Ų149.872%0.71574%0.743SS**  trans-72.3125.4155.1-71.8-168.1154.800109.9K141E139-K141 IonicContact OE1-NZ 3.97Å; E139-K141 VanDerWaalsContact OE2-CE 3.29Å; E139-K141 WeakPolarHBondContact OE2-CE 3.29Å; E139-K141 IonicContact OE2-NZ 2.74Å; E139-K141 PolarHBondContact OE2-NZ 2.79Å
140Y32.2Very low38.5Very low211 Ų211147.8 Ų147.883%0.82775%0.745SS**  trans-92.4123156.8-88.5-91.5000108.9V138 H142V138-Y140 HydrophobicContact CG1-CD2 3.95Å; V138-Y140 HydrophobicContact CG1-CE2 3.89Å; Y140-H142 PolarHBondContact O-N 3.32Å
141K34.4Very low37.5Very low157 Ų157150 Ų15068%0.68376%0.758SS**  trans-78.7111.8171.3-66.4-67.8176.4-160.10109.1E139 N143E139-K141 IonicContact OE1-NZ 3.97Å; E139-K141 VanDerWaalsContact OE2-CE 3.29Å; E139-K141 WeakPolarHBondContact OE2-CE 3.29Å; E139-K141 IonicContact OE2-NZ 2.74Å; E139-K141 PolarHBondContact OE2-NZ 2.79Å; K141-N143 PolarHBondContact O-N 3.45Å
142H30Very low36.9Very low168 Ų168154.9 Ų154.978%0.77878%0.779SS**  trans-80.7103.1168.7-172.3-61.5000108.6Y140Y140-H142 PolarHBondContact O-N 3.32Å
143N31.8Very low36.6Very low150 Ų150156.4 Ų156.480%0.80279%0.791SS**  trans-81.9129.4168.6-81.61.2000109.1K141K141-N143 PolarHBondContact O-N 3.45Å
144E29.6Very low36.6Very low172 Ų172155.7 Ų155.780%0.80479%0.793SS**  trans-91.6133.9-177.9-164.3168.8-172.600112
145M31.2Very low35.6Very low163 Ų163149.7 Ų149.780%0.80379%0.786SS**  trans-4.7132.7168-148.968.1135.900119.6
146T28.3Very low34.6Very low129 Ų129149.3 Ų149.379%0.79179%0.791SS**  trans-115.7124.8154.4-58.50000109.2C148T146-C148 PolarHBondContact O-N 3.19Å
147N30.2Very low34.7Very low143 Ų143149.7 Ų149.777%0.76579%0.793SS**  trans-63.3131.3-177.5-69.4-35.4000112.2
148C29.1Very low35.2Very low123 Ų123150.8 Ų150.883%0.83180%0.796SS**  trans-134.8144.3164.7-81.30000110.1T146T146-C148 PolarHBondContact O-N 3.19Å
149Y31.7Very low35.3Very low221 Ų221152.7 Ų152.787%0.86780%0.797SS**  trans-75.3160.6-160.4-75.6-101000114.5
150T37.3Very low36Very low126 Ų126151.9 Ų151.977%0.77380%0.803SS**  trans-34.1128.8170.751.50000115
151N31.7Very low36.3Very low153 Ų153149 Ų14982%0.81880%0.797SS**  trans-147.3122.2141.9-98.3-48.8000109.8
152Q40.5Very low36.5Very low186 Ų186148.5 Ų148.587%0.86980%0.801SS**  trans-72126164.5-62.4174.6-1.300107.2
153N39.3Very low36.8Very low156 Ų156147.8 Ų147.883%0.83480%0.803SS**  trans-151.7139.9161.2-94.9-34.9000110.9
154T45.6Very low36.8Very low135 Ų135149.5 Ų149.583%0.82880%0.803SS**  trans-90.9145-172.748.60000112.5
155G35Very low37Very low68 Ų68149 Ų14970%0.70181%0.805SS**  trans79.1118.2137.100000119.2
156L36.2Very low37.2Very low162 Ų162146.3 Ų146.385%0.84880%0.802SS**  trans75.5132.1148.7-55.1175.4000119.5
157T49.2Very low37.5Very low135 Ų135146.4 Ų146.483%0.82880%0.802SS**  trans51.5105.7153.555.20000118.9
158V44.5Very low37.4Very low141 Ų141148.2 Ų148.286%0.85581%0.805SS**  trans-125126.2150.1174.60000108
159E40.4Very low37.4Very low154 Ų154151.3 Ų151.372%0.7281%0.805SS**  trans-66.6144.9176.5-60.1178.9133.200111.3Q161E159-Q161 HydrophobicContact CB-CG 4.47Å; E159-Q161 PolarHBondContact O-N 3.47Å; E159-Q161 PolarHBondContact OE2-NE2 2.86Å
160V47.3Very low37.4Very low137 Ų137146.1 Ų146.183%0.8380%0.801SS**  trans-87.995.9168.4-176.40000108.6
161Q39.4Very low37.2Very low150 Ų150148.6 Ų148.670%0.70180%0.804SS**  trans-94.7141.3169.8-69.2-174.67.700111.5E159E159-Q161 HydrophobicContact CB-CG 4.47Å; E159-Q161 PolarHBondContact O-N 3.47Å; E159-Q161 PolarHBondContact OE2-NE2 2.86Å
162D38.8Very low37.1Very low146 Ų146149 Ų14978%0.78180%0.801SS**  trans58.474.2166.2-79.715.3000120.3K164D162-K164 PolarHBondContact O-N 3Å
163L35.4Very low36.6Very low154 Ų154147.2 Ų147.281%0.80680%0.797SS**  trans-83.984.2148.2-80.4171.2000110.8L165L163-L165 PolarHBondContact O-N 3.02Å
164K31.8Very low36.2Very low186 Ų186146.7 Ų146.781%0.80979%0.794SS**  trans-76.183.2-179.7-166.8173.5-173.51710112.3D162 S166D162-K164 PolarHBondContact O-N 3Å; K164-S166 PolarHBondContact O-N 3Å; K164-S166 VanDerWaalsContact O-N 3.09Å
165L34.4Very low35.6Very low162 Ų162146.1 Ų146.185%0.84879%0.794SS**  trans-69.3100.4175.3-65.9174.2000111.6L163 V167L163-L165 PolarHBondContact O-N 3.02Å; L165-V167 PolarHBondContact O-N 3.36Å
166S35.8Very low35.4Very low106 Ų106147.5 Ų147.574%0.74180%0.799SS**  trans-77.9109176.2600000111.9K164 H168K164-S166 PolarHBondContact O-N 3Å; K164-S166 VanDerWaalsContact O-N 3.09Å; S166-H168 PolarHBondContact O-N 3.17Å
167V33Very low35.1Very low130 Ų130145.8 Ų145.879%0.78879%0.791SS**  trans-61.9114.1169.6175.60000109.9L165 K169L165-V167 PolarHBondContact O-N 3.36Å; V167-K169 PolarHBondContact O-N 3.3Å
168H28.5Very low34.6Very low181 Ų181146.2 Ų146.284%0.83878%0.782SS**  trans-85.595.8177.8-143.268.3000110.3S166S166-H168 PolarHBondContact O-N 3.17Å
169K29.9Very low34Very low188 Ų188147.2 Ų147.282%0.81778%0.777SS**  trans-77.2126.5164.5-80.8-173.9175.2-1790109V167 Q171V167-K169 PolarHBondContact O-N 3.3Å; K169-Q171 PolarHBondContact O-N 2.75Å
170S31.4Very low33.4Very low112 Ų112145.8 Ų145.878%0.78377%0.774SS**  trans-71.2118.3168.757.60000110.4
171Q32.7Very low32.7Very low178 Ų178146.5 Ų146.583%0.83277%0.772SS**  trans-148.8111.5143.4-157.9150.33.300111.7K169K169-Q171 PolarHBondContact O-N 2.75Å
172Q30.6Very low32.2Very low163 Ų163144.8 Ų144.876%0.76277%0.771SS**  trans-49.8132.7165.1174.1-178.50.400111.3
173N29.6Very low31.7Very low147 Ų147145.5 Ų145.579%0.78678%0.775SS**  trans-152.7138.4156.2-88.2-46.2000109
174D31.5Very low31.4Very low145 Ų145142.2 Ų142.278%0.77577%0.765SS**  trans-76.7144.6-172.5-56.7-74.7000113.3
175C32.8Very low31.3Very low123 Ų123143.2 Ų143.283%0.83177%0.77SS**  trans-152.2106.3148.9540000110.8
176A30.2Very low31.1Very low98 Ų98141.4 Ų141.481%0.8177%0.765SS**  trans-71.2150.6159.200000109.7
177N31.1Very low30.6Very low125 Ų125142 Ų14267%0.66876%0.76SS**  155.4147.9109.9-157.2-1.6000111.9
178K37.8Very low30.5Very low145 Ų145144.1 Ų144.163%0.6376%0.759SS**  trans68.9115.3158.7-86.5147.7-165.5-165.80117.8
179E31.6Very low30.6Very low162 Ų162144.5 Ų144.576%0.75776%0.761SS**  68136.383-73.5174.3-128.600110.8
180N28.2Very low30.6Very low124 Ų124144.7 Ų144.766%0.66377%0.765SS**  cis-173.3151.7-1.5171.39.4000104.5
181I32.9Very low30.8Very low152 Ų152145.8 Ų145.878%0.77977%0.767SS**  trans171117142.1-89.8153.7000109.2
182V28.3Very low30.8Very low113 Ų113142.9 Ų142.969%0.68576%0.764SS**  trans-76.7142.7167.6167.60000109.2
183N28.8Very low30.7Very low161 Ų161144.1 Ų144.186%0.86177%0.769SS**  trans-143.5112.6143.6-99.5-25.3000109.7
184S29.7Very low30.8Very low85 Ų85146.8 Ų146.859%0.59477%0.774SS**  trans-75.5149.9173.352.20000111.5
185F28.3Very low30.8Very low208 Ų208147.5 Ų147.591%0.91278%0.777SS**  trans-155.3144131-99.5-68.9000111
186T30.3Very low31.1Very low123 Ų123147.2 Ų147.276%0.75577%0.774SS**  trans-87.9152.3-179.550.20000111.8
187D25.1Very low31.7Very low119 Ų119150.4 Ų150.464%0.63678%0.775SS**  -173.2153.4108-141.1-10.1000115.3
188K31.3Very low32Very low175 Ų175149.8 Ų149.876%0.76178%0.778SS**  trans40138.5156.2-80.1146.8-154.5148.40125.4
189Q31.1Very low31.9Very low188 Ų188151.6 Ų151.688%0.87979%0.791SS**  trans-67.8151162.8-58.1163.4-41.500112.4
190Q29.5Very low32.4Very low193 Ų193151.3 Ų151.390%0.90279%0.793SS**  trans-157.7135.1132.1-121.2169.6500112.7
191T35.1Very low32.8Very low135 Ų135149.8 Ų149.883%0.82880%0.797SS**  trans-81149.4169.8-6.50000110.4
192P33.7Very low33.6Very low117 Ų117151.7 Ų151.776%0.7680%0.8SS**  trans-130.8116.1147.723.4-4.4000113.2
193E27.2Very low34.2Very low189 Ų189154.4 Ų154.488%0.88381%0.811SS**  trans34.9135130.3-56.5-169.6153.700122.5
194K32.5Very low34.9Very low203 Ų203153.5 Ų153.588%0.88381%0.805SS**  trans-89.4122.7177.4170.3-168.5178.1-171.70110
195L32.4Very low35.2Very low160 Ų160156.9 Ų156.984%0.83881%0.814SS**  trans-106.4154.8167.6-74.9176.5000112.2
196P38.9Very low35.6Very low117 Ų117151.8 Ų151.876%0.7680%0.802SS**PPolyproline II helixtrans-91.7148.9-164.435.5-34.7000113.7
197I41.9Very low36Very low164 Ų164154.1 Ų154.184%0.84181%0.805SS**PPolyproline II helixtrans-93.1130.8169.8-60.7172.9000108
198P37.4Very low36.9Very low112 Ų112155 Ų15573%0.72781%0.809SS**PPolyproline II helixtrans-71.9145.8-174.328-34.9000113.4
199M36.6Very low37.4Very low183 Ų183154.9 Ų154.990%0.90182%0.817SS**PPolyproline II helixtrans-67.6128.7169.4-80.2160.241.200110.9
200I40.5Very low38Very low156 Ų156153.4 Ų153.480%0.881%0.81SS**  trans-109.7111157.8-73.1173.1000107.1K202I200-K202 PolarHBondContact O-N 2.96Å
201A36.8Very low38.4Very low92 Ų92152.5 Ų152.576%0.7681%0.811SS**PPolyproline II helixtrans-68.9127.4173.900000109.5
202K50.9Low38.5Very low193 Ų193150.4 Ų150.484%0.83980%0.801SS**PPolyproline II helixtrans-85.9118.3163.9-70.3-170.3174.2-171.10107.7I200 L204I200-K202 PolarHBondContact O-N 2.96Å; K202-L204 PolarHBondContact O-N 3.26Å
203N41.3Very low38.5Very low170 Ų170153.7 Ų153.791%0.90981%0.806SS**PPolyproline II helixtrans-58.5129.4173.5-111.4-22.5000109.5
204L42.4Very low39Very low141 Ų141153.4 Ų153.474%0.73880%0.802SS**PPolyproline II helixtrans-85.2123.6178.1-65.3169.1000108.8K202K202-L204 PolarHBondContact O-N 3.26Å
205M35.2Very low39.2Very low157 Ų157150.9 Ų150.977%0.77380%0.798SS**  trans-111.199.2151.3-74.3-57.3-56.700106.6
206C36.8Very low39.3Very low100 Ų100149 Ų14968%0.67680%0.798SS**  trans-95.2105.2168.3-61.30000107
207E39.6Very low39.2Very low172 Ų172152 Ų15280%0.80480%0.799SS**  trans-99.7140161.5-71-179.7-170.300107.9
208L44.9Very low38.8Very low138 Ų138153.8 Ų153.872%0.72380%0.796SS**  trans-95136.7-164.9-67.4162.5000110.8
209D40.1Very low38.5Very low173 Ų173154.4 Ų154.493%0.92579%0.792SS**  trans-81.1112.3166.1-73.3-46.4000109.9
210E44.3Very low38.4Very low157 Ų157155 Ų15573%0.73479%0.786SS**  trans-13378175.5-85.1159.4-176.100111.8
211D37.9Very low38.1Very low173 Ų173154.5 Ų154.593%0.92578%0.784SS**  trans-124.692.6157.7-105.5-35.2000109.9
212C37.9Very low37.8Very low91 Ų91155.4 Ų155.462%0.61579%0.785SS**  trans-101.293.2175.263.20000110.8K214C212-K214 PolarHBondContact O-N 3.4Å
213E32.8Very low37Very low186 Ų186151.5 Ų151.587%0.86978%0.782SS**  trans-71.991.3176-162.6172.3-152.800110.8
214K38.6Very low36.8Very low184 Ų184147 Ų14780%0.876%0.764SS**  trans-77.1120.4-178.8-71.7167.5-178.2161.90111.3C212C212-K214 PolarHBondContact O-N 3.4Å
215N35.9Very low36.2Very low150 Ų150148.7 Ų148.780%0.80277%0.766SS**  trans-131.359.2174.162.16.7000114.1
216S33.9Very low36.3Very low120 Ų120148.8 Ų148.884%0.83977%0.768SS**  trans-137.8131.3161.8640000114.3
217K37.4Very low36Very low181 Ų181149 Ų14979%0.78777%0.77SS**  trans-53.2155-179.3-97.5167.7175.21630115.8
218R33.3Very low35.8Very low201 Ų201146.2 Ų146.276%0.75877%0.769SS**  trans93.4121.9135.4-87.7179.2-176.7161.60.6120.9
219D32.2Very low35.4Very low124 Ų124146.8 Ų146.866%0.66377%0.773SS**  98.2119.5123.8-65.5-15.1000121.5
220Y33Very low35.4Very low195 Ų195144.9 Ų144.977%0.76576%0.763SS**  trans81.6115.8139-87.8-118.2000121.4
221L34.3Very low35.3Very low147 Ų147142.6 Ų142.677%0.7776%0.756SS**  trans58.9121.6146.7-49174.5000116.9
222S31.9Very low35.6Very low110 Ų110144.6 Ų144.677%0.76975%0.751SS**  -169.7137.156.6-57.10000112.8
223S32.6Very low35.5Very low111 Ų111144.7 Ų144.778%0.77676%0.758SS**  11.7142.4122.5-161.10000118.1
224S37.3Very low35.7Very low77 Ų77140.8 Ų140.854%0.53875%0.751SS.*  cis-170.7171.42.530.80000107.8
225F30.2Very low35.6Very low176 Ų176142 Ų14277%0.77276%0.757SS**  -171.2148.450.6-89.7-74.9000112.7
226L37.8Very low35.4Very low158 Ų158142.2 Ų142.283%0.82776%0.757SS**  trans62.5146.5144.8-62.5169.7000120.7
227C29.5Very low35.5Very low104 Ų104144.1 Ų144.170%0.70376%0.757SS**  cis-170.4140.2-16.4-172.40000110.7
228S35.3Very low35.2Very low114 Ų114140 Ų14080%0.79775%0.751SS**  trans149.6104.9148.162.80000108.6
229D36.1Very low35.4Very low151 Ų151138.1 Ų138.181%0.80775%0.752SS**  cis100.914542.1-162.426.7000112.2
230D40Very low35.2Very low133 Ų133138.5 Ų138.571%0.71175%0.754SS**  trans70.196.1-176.2-114.515.1000119.5
231D43.6Very low35.2Very low109 Ų109134.2 Ų134.258%0.58375%0.753SS**  49.9143.7109.3-80.116.4000120.2
232R43.3Very low35.3Very low215 Ų215134.5 Ų134.581%0.81176%0.755SS**  cis167148.514.9164.4-173.5-61.1-129.85.1102.5
233A37.3Very low35.3Very low92 Ų92135.2 Ų135.276%0.7676%0.76SS**  cis-138.5155.522.400000112.5
234S36.1Very low35.6Very low105 Ų105135 Ų13573%0.73476%0.759SS**  trans-81.4156.516850.70000112.8
235K36.5Very low35.6Very low210 Ų210140.8 Ų140.891%0.91378%0.775SS**  trans-162100.4139.4-111.6165.3-172.2177.90112.1
236N32.1Very low36.2Very low153 Ų153138.3 Ų138.382%0.81878%0.776SS**  trans-83.6142.9163.9-66.6-29.2000110
237I34.7Very low35.8Very low161 Ų161133.5 Ų133.583%0.82677%0.765SS**  trans-170.5108.7139.232.8171.1000106.2
238S32.9Very low36.1Very low94 Ų94137 Ų13766%0.65778%0.775SS**  90.7113.567.373.20000114.2
239M37.3Very low35.9Very low161 Ų161135.7 Ų135.779%0.79377%0.766SS**  trans67.2117.3135.2-75.9154.77700121.6
240N27.7Very low35.8Very low132 Ų132135.7 Ų135.771%0.70676%0.764SS**  trans96.2122.3132.2-57.4-9.1000121.4
241S33.4Very low35.4Very low106 Ų106137.6 Ų137.674%0.74177%0.771SS**  trans74125.9135.6-63.20000122.6
242D35.3Very low34.8Very low153 Ų153140.5 Ų140.582%0.81878%0.781SS**  trans33121.3141.2-56.5-23.9000120.9
243S33.1Very low34.2Very low124 Ų124134.9 Ų134.987%0.86777%0.774SS**  -169.3161.6123.432.90000114.3
244S37.9Very low34.5Very low107 Ų107135.2 Ų135.275%0.74877%0.769SS**  trans-66.5165.7-175.948.70000117.6
245F37.6Very low34.4Very low199 Ų199137.1 Ų137.187%0.87377%0.77SS**  trans-35.5149164.4-65.8-87.3000116.2
246P43.7Very low34Very low123 Ų123135.2 Ų135.280%0.79976%0.764SS**  -125.3170.397.737.3-31.7000111.6
247G28.9Very low34Very low58 Ų58132.6 Ų132.660%0.59876%0.758SS**  cis122.5106.96.800000111.4
248I35.8Very low33.7Very low176 Ų176133.3 Ų133.390%0.90376%0.758SS**  trans62.6150.1172.172.4166.9000116.3
249S30.7Very low34.3Very low87 Ų87133.4 Ų133.461%0.60876%0.756SS**  cis-170147.336.151.10000115
250I33.9Very low34Very low151 Ų151134.1 Ų134.177%0.77476%0.762SS**  trans66.2131.3139.3-61165.7000116.5
251M32.6Very low34.1Very low173 Ų173134.8 Ų134.885%0.85277%0.766SS**  -158.5138.960.5-151.414760.200115.4
252E30.8Very low34Very low171 Ų171135.9 Ų135.980%0.79977%0.774SS**  trans-37.9167.9146.1-77.9175.8118.300115.4
253S30.3Very low33.8Very low96 Ų96136 Ų13667%0.67178%0.775SS**  cis-177.4-157.7-9.659.90000106.3
254P43.7Very low33.9Very low100 Ų100141.3 Ų141.365%0.64978%0.775SS**  cis-132-157.7-26.728.3-3000112.7
255L33.7Very low33.7Very low144 Ų144140.7 Ų140.775%0.75477%0.771SS**  trans75.1149169.4-81.683.6000118.7
256E28.6Very low33.6Very low170 Ų170138.3 Ų138.379%0.79477%0.766SS**  cis-157.7-175.4-30.1-157.1155-175.700108.4
257S31.4Very low33.2Very low99 Ų99141.6 Ų141.669%0.69277%0.768SS**  trans-121.9164.8-157.364.80000116.2
258Q29.1Very low33.2Very low176 Ų176148 Ų14882%0.82278%0.782SS**  trans86.5159.5151.4-74-84.1-61.200119.2
259P44.9Very low33Very low95 Ų95144.9 Ų144.962%0.61778%0.776SS**  trans-114.5-179.7-142.244.2-38.4000115.2
260L30.3Very low32.9Very low176 Ų176145.7 Ų145.792%0.92178%0.781SS**  trans-140.7135.7159.6-86.5174.8000112.8
261D29.9Very low32.8Very low146 Ų146147.8 Ų147.878%0.78179%0.785SS**  trans-74.4164.4173.8-64.6-65.6000113.4
262S32.2Very low32.6Very low129 Ų129148.1 Ų148.190%0.90279%0.785SS**  trans-155.699.8150.5-80.30000111.6
263D30.6Very low32.6Very low157 Ų157147 Ų14784%0.8478%0.779SS**  trans-77.4132.3173.5-107.1-36.6000113
264R36.1Very low32.8Very low234 Ų234148.1 Ų148.188%0.88379%0.787SS**  trans177.193149.3-106.2177.6175.4-164-1.5108.5
265S34.1Very low32Very low94 Ų94148.8 Ų148.866%0.65779%0.785SS**  60.3116.375.486.90000114.9
266I34.4Very low32Very low149 Ų149149 Ų14976%0.76479%0.786SS**  176.3128115.3-87.4157000111.3
267K34.8Very low32.1Very low192 Ų192149.7 Ų149.784%0.83579%0.789SS**  trans65.2100.4158.6-78.3172.6177.8-176.60121.1
268E30.1Very low32Very low194 Ų194152 Ų15291%0.90779%0.794SS**  trans-63.9153.3132.1-60.3171.5126.300111.8
269S30.6Very low32.5Very low110 Ų110148.6 Ų148.677%0.76979%0.786SS**  trans-167134.9156.4570000108.5
270S29.2Very low31.6Very low103 Ų103151.2 Ų151.272%0.7280%0.795SS**  cis-165.7141.5-16.736.20000106.6
271F30.6Very low31.7Very low195 Ų195150.4 Ų150.486%0.85579%0.789SS**  trans-72.7136.9165.9-109.6-103.4000108.9
272E28.9Very low31.6Very low181 Ų181150 Ų15085%0.84679%0.792SS**  trans-138.197.6161.3-158.597.8-134.700107.6
273E31.4Very low31.5Very low147 Ų147149.5 Ų149.569%0.68778%0.784SS**  trans-87.5120.1173.3-178.3-176.5157.800108N275E273-N275 PolarHBondContact OE1-ND2 3.37Å
274S33.7Very low31.7Very low119 Ų119148.1 Ų148.183%0.83278%0.783SS**  trans-111.6121.5173.754.80000110.3
275N28Very low31Very low115 Ų115144 Ų14462%0.61578%0.779SS**  trans-103149.3-178-95.1-72.6000110.4E273E273-N275 PolarHBondContact OE1-ND2 3.37Å
276I32.5Very low30.7Very low148 Ų148143.1 Ų143.176%0.75977%0.772SS**  trans73108.9159.5-53.6147.8000115.8
277E32.4Very low30.5Very low184 Ų184142.7 Ų142.786%0.8677%0.766SS**  -174.6139.198.9-83.8-169.4166.600111
278D28.7Very low30Very low149 Ų149139.8 Ų139.880%0.79776%0.756SS**  trans-86.3139.8171.5177.722.4000108.9L280D278-L280 PolarHBondContact OD1-N 2.89Å
279P38.5Very low29.9Very low103 Ų103138.3 Ų138.367%0.66975%0.746SS**  -147.7136.3120.234.2-17.2000116.9
280L27.1Very low29.7Very low151 Ų151140.2 Ų140.279%0.79175%0.754SS**  trans69.3116.2132-64.5172.7000120.5D278 V282D278-L280 PolarHBondContact OD1-N 2.89Å; L280-V282 PolarHBondContact O-N 2.7Å
281I32.7Very low29.5Very low158 Ų158140.4 Ų140.481%0.8176%0.755SS**  trans-32.2124.4152-59.1162.3000113.8
282V26.8Very low30.2Very low137 Ų137135.9 Ų135.983%0.8375%0.745SS**  trans-140.3111148.2-179.40000109.6L280L280-V282 PolarHBondContact O-N 2.7Å
283T30.4Very low30.3Very low120 Ų120136.9 Ų136.974%0.73675%0.747SS**PPolyproline II helixtrans-83.4140.6162.535.50000110.5
284P34Very low30.1Very low127 Ų127133.3 Ų133.383%0.82575%0.75SS**PPolyproline II helixtrans-79.2123.317230.7-31.3000112.2
285D22.9Very low29.9Very low148 Ų148133.1 Ų133.179%0.79174%0.743SS**PPolyproline II helixtrans-59.4169.2162.4-14915.9000110.5
286C26.2Very low29.9Very low75 Ų75135.6 Ų135.651%0.50775%0.751SS.*  cis-173.3-177.719.3-159.20000111.7
287Q30.1Very low29.8Very low140 Ų140135.8 Ų135.865%0.65475%0.754SS**  trans76.1143.6154.5-66-44.4-32.400119.7
288E25Very low30.6Very low132 Ų132132.8 Ų132.862%0.61775%0.75SS**  cis-157135.9-5.2-172.2164.4-172.600114.4
289K27.9Very low30.5Very low162 Ų162130.1 Ų130.170%0.70475%0.749SS**  trans29.4138.2152.1-57.6163.3-162.3157.30124
290T25.6Very low30.1Very low151 Ų151131 Ų13193%0.92675%0.752SS**  -151.8162.5111.450000111.3
291S25.5Very low30.4Very low106 Ų106131 Ų13174%0.74175%0.748SS**  trans-141.4-169-165.369.30000110.4
292P45.2Very low30.2Very low101 Ų101130.7 Ų130.766%0.65674%0.743SS**  cis-146.1174-4.439.8-19.5000118.9
293K31.9Very low30.5Very low201 Ų201128.4 Ų128.487%0.87473%0.733SS**  trans74.8140.3137-87.1174.6177.9-178.20125.5
294G26.1Very low30.6Very low73 Ų73130 Ų13075%0.75374%0.737SS**  trans148.364159.600000114.2
295V30.1Very low30.7Very low114 Ų114132 Ų13269%0.69174%0.735SS**  81.4110.383.4179.60000115.7
296E28.5Very low31.2Very low167 Ų167133.8 Ų133.878%0.7874%0.736SS**  trans71103.3148.7-71.6172.3167.500125.3
297N29.9Very low31.7Very low153 Ų153138.9 Ų138.982%0.81876%0.755SS**  69.3157.9101-79.2-12.4000123.7
298P49.8Very low31.8Very low121 Ų121140.6 Ų140.679%0.78677%0.767SS**  trans-129.8-179.8-135.945.1-31.9000117.5
299A25.6Very low32.2Very low93 Ų93137.3 Ų137.377%0.76977%0.769SS**  trans-152.7149.4165.600000108.1
300V31.4Very low32.6Very low120 Ų120135.8 Ų135.873%0.72778%0.776SS**  cis-160.2159.71.6117.90000108.4
301Q31.9Very low33.1Very low153 Ų153134.2 Ų134.272%0.71577%0.768SS**  trans13.1149.9157-60172.2-88.300120.3
302E28.4Very low33.9Very low151 Ų151137.5 Ų137.571%0.70678%0.776SS**  cis-170.4-177.93.4-121.4-173-96.600107.8
303S33.7Very low33.5Very low89 Ų89141 Ų14162%0.62278%0.784SS**  cis-146.9177.2-2.9-153.80000109.6
304N32Very low33.6Very low152 Ų152136.8 Ų136.881%0.81378%0.775SS**  trans-122.7138176.4-81.4-76.2000112.1
305Q37.1Very low34.2Very low170 Ų170141.8 Ų141.879%0.79478%0.783SS**  trans-163.998.7152.3-120.4-176.581.300113.9
306K33.5Very low34.7Very low186 Ų186145.2 Ų145.281%0.80979%0.789SS**  159.3142.2111.2-87173.2-179177.80113.2
307M36.2Very low35.2Very low181 Ų181143.9 Ų143.989%0.89279%0.793SS**  trans-65.8138.5172.8-66.313257.800112.5
308L32.8Very low35.8Very low176 Ų176144.8 Ų144.892%0.92180%0.797SS**  trans-166.7137.6135.2-108.6139.5000108.9
309G33.8Very low35.4Very low64 Ų64143.3 Ų143.366%0.6679%0.794SS**PPolyproline II helixtrans-74.2151.6-177.300000112.7
310P35.7Very low36.4Very low129 Ų129144.2 Ų144.284%0.83880%0.795SS**PPolyproline II helixtrans-77.9134.5-179.530.8-32.9000111.7
311P36.4Very low37.6Very low118 Ų118147.5 Ų147.577%0.76680%0.8SS**PPolyproline II helixtrans-80.5162.3171.933.9-34.6000112.3E313P311-E313 PolarHBondContact O-N 3.09Å
312L42.7Very low38.8Very low175 Ų175151.2 Ų151.292%0.91681%0.807SS**  trans-70.2111.6175.5174.170.2000111.7
313E35.3Very low40.2Very low174 Ų174151.3 Ų151.381%0.81381%0.812SS**  trans-140.5117.1164.9-90.2-16614900114.2P311P311-E313 PolarHBondContact O-N 3.09Å
314V34.8Very low41.3Very low113 Ų113151.6 Ų151.669%0.68582%0.82SS**  trans43.192.6142.4-166.20000118.1K316V314-K316 HydrophobicContact CG1-CG 4.43Å; V314-K316 PolarHBondContact O-N 3.33Å; V314-K316 VanDerWaalsContact O-N 3.07Å
315L38Very low42.9Very low178 Ų178150.2 Ų150.293%0.93282%0.817SS**  trans-65.8102.5160-79.9170.7000111.1T317L315-T317 PolarHBondContact O-N 3.02Å
316K42Very low43.7Very low186 Ų186146.3 Ų146.381%0.80981%0.814SS**  trans-73.4118.1165-70.5175.3-179.1169.30109.2V314 L318V314-K316 HydrophobicContact CG1-CG 4.43Å; V314-K316 PolarHBondContact O-N 3.33Å; V314-K316 VanDerWaalsContact O-N 3.07Å; K316-L318 PolarHBondContact O-N 2.99Å
317T38.3Very low44.6Very low139 Ų139146.7 Ų146.785%0.85382%0.816SS**  trans-67.8110.7176.640.40000110.9L315 A319L315-T317 PolarHBondContact O-N 3.02Å; T317-A319 PolarHBondContact O-N 3.49Å
318L41.3Very low45.4Very low173 Ų173146.6 Ų146.691%0.90681%0.806SS**  trans-74.794.6173.7-168.879.5000109.3K316 S320K316-L318 PolarHBondContact O-N 2.99Å; L318-S320 PolarHBondContact O-N 3.18Å; L318-S320 VanDerWaalsContact O-N 3.15Å
319A42.9Very low45.9Very low89 Ų89143.5 Ų143.574%0.73680%0.799SS**  trans-63.2114.8178.800000111.3T317 K321T317-A319 PolarHBondContact O-N 3.49Å; A319-K321 PolarHBondContact O-N 3.19Å; A319-K321 VanDerWaalsContact O-N 3.09Å
320S46.1Very low46.6Very low112 Ų112147.9 Ų147.978%0.78380%0.8SS**  trans-63.5109.7175179.50000110.5L318 R322L318-S320 PolarHBondContact O-N 3.18Å; L318-S320 VanDerWaalsContact O-N 3.15Å; S320-R322 PolarHBondContact O-N 3.35Å
321K55.8Low47Very low190 Ų190149.4 Ų149.483%0.82680%0.801SS**  trans-79.386.3-175.7-162178.7-173.3-177.20110A319 N323A319-K321 PolarHBondContact O-N 3.19Å; A319-K321 VanDerWaalsContact O-N 3.09Å; K321-N323 PolarHBondContact O-N 2.79Å
322R58Low47.1Very low230 Ų230148 Ų14887%0.86879%0.794SS**  trans-64.1126.2169.9-73.5-174.4176.7129.4-1.9109.8S320 A324S320-R322 PolarHBondContact O-N 3.35Å; R322-A324 PolarHBondContact O-N 3.18Å; R322-A324 VanDerWaalsContact O-N 3.14Å
323N57.6Low47Very low153 Ų153148.6 Ų148.682%0.81879%0.792SS**  trans-74.799.8173.7-69.3-34.2000109.5K321K321-N323 PolarHBondContact O-N 2.79Å
324A56.6Low47.2Very low96 Ų96148.2 Ų148.279%0.79379%0.794SS**  trans-89.5116.4174.600000110.6R322 A326R322-A324 PolarHBondContact O-N 3.18Å; R322-A324 VanDerWaalsContact O-N 3.14Å; A324-A326 PolarHBondContact O-N 3.32Å
325V65.4Low47.4Very low122 Ų122150.1 Ų150.174%0.73980%0.8SS**  trans-87.4106.8172.5179.60000108.8F327V325-F327 HydrophobicContact CG1-CE2 4.41Å
326A55.1Low47.7Very low89 Ų89146 Ų14674%0.73679%0.792SS**  trans-96.8116.9175.900000110.8A324 R328A324-A326 PolarHBondContact O-N 3.32Å; A326-R328 PolarHBondContact O-N 3.21Å
327F52.8Low47.7Very low194 Ų194142.5 Ų142.585%0.85179%0.791SS**  trans-73.7114.5172.1-70.7-85.1000110.3V325 S329V325-F327 HydrophobicContact CG1-CE2 4.41Å; F327-S329 PolarHBondContact O-N 3.31Å
328R52Low48Very low178 Ų178143 Ų14367%0.67279%0.788SS**  trans-77118.8169.8-62.1-179.470.9-97.81.9109A326 F330A326-R328 PolarHBondContact O-N 3.21Å; R328-F330 HydrophobicContact CB-CE2 4.34Å; R328-F330 WeakPolarHBondContact O-CD2 3.43Å; R328-F330 PolarHBondContact O-N 3.07Å
329S43.1Very low47.8Very low111 Ų111142 Ų14278%0.77678%0.783SS**  trans-69.3102172.648.20000110.5F327 N331F327-S329 PolarHBondContact O-N 3.31Å; S329-N331 VanDerWaalsContact C-N 3.33Å; S329-N331 PolarHBondContact O-N 3.22Å
330F48.3Very low47.9Very low157 Ų157143.9 Ų143.969%0.68979%0.791SS**  trans-76.783.2173.7-81.7-88.1000110.8R328R328-F330 HydrophobicContact CB-CE2 4.34Å; R328-F330 WeakPolarHBondContact O-CD2 3.43Å; R328-F330 PolarHBondContact O-N 3.07Å
331N43.9Very low47.6Very low161 Ų161147.4 Ų147.486%0.86180%0.795SS**  trans-127.648.1163.2-86.5-40.5000110.6S329S329-N331 VanDerWaalsContact C-N 3.33Å; S329-N331 PolarHBondContact O-N 3.22Å
332S38.9Very low47Very low87 Ų87143.8 Ų143.861%0.60879%0.792SS**  trans-105.5112.6165.553.60000108.1I334S332-I334 PolarHBondContact O-N 3.41Å
333H40.8Very low45.8Very low188 Ų188138.6 Ų138.687%0.8779%0.79SS**  trans-56132178.9-73-85.9000111N335H333-N335 VanDerWaalsContact C-N 3.32Å; H333-N335 PolarHBondContact O-N 3.38Å
334I40.1Very low45.3Very low167 Ų167141.8 Ų141.886%0.85679%0.791SS**  trans-68.993.4171.2-58.2170.6000107.4S332S332-I334 PolarHBondContact O-N 3.41Å
335N38.7Very low44.3Very low152 Ų152144.9 Ų144.981%0.81379%0.791SS**  trans-96.8102.3161.6-148.88000106.8H333 S337H333-N335 VanDerWaalsContact C-N 3.32Å; H333-N335 PolarHBondContact O-N 3.38Å; N335-S337 PolarHBondContact O-N 3.14Å; N335-S337 VanDerWaalsContact O-N 3.15Å
336A44.6Very low43.1Very low93 Ų93145.6 Ų145.677%0.76979%0.791SS**  trans-72.2106.7-175.800000110.3
337S42.2Very low42.5Very low112 Ų112150.1 Ų150.178%0.78380%0.799SS**  trans-123.9111.9167.360.40000110N335N335-S337 PolarHBondContact O-N 3.14Å; N335-S337 VanDerWaalsContact O-N 3.15Å
338N42.9Very low41.9Very low150 Ų150147.2 Ų147.280%0.80280%0.797SS**  trans-65.5158.9174.8-87.6-20.4000112.4
339N38.8Very low41.2Very low150 Ų150144.4 Ų144.480%0.80281%0.805SS**  trans76.289.5160.3-51.1-30.1000118.2
340S44.3Very low41.3Very low129 Ų129147.3 Ų147.390%0.90281%0.811SS**  -169.9154.6115.423.60000112.3
341E39.6Very low40.9Very low186 Ų186147 Ų14787%0.86982%0.817SS**PPolyproline II helixtrans-77.7170.2-169-103.6-174.2120.500115.5S343E341-S343 PolarHBondContact O-N 3.08Å
342P43.9Very low40.7Very low115 Ų115143.4 Ų143.475%0.74781%0.809SS**PPolyproline II helixtrans-77.4119.5-164.130.4-35.7000114
343S32.5Very low41.1Very low120 Ų120147.5 Ų147.584%0.83982%0.82SS**PPolyproline II helixtrans-76.6129.6169.4-166.50000111.5E341E341-S343 PolarHBondContact O-N 3.08Å
344R46.2Very low41.1Very low220 Ų220146.4 Ų146.483%0.8382%0.821SS**PPolyproline II helixtrans-96.2170.2169.3-43.7-157.286.8-163.76.7109.7
345M36.2Very low41Very low162 Ų162145 Ų14580%0.79881%0.814SS**  trans83.6138.2178.5100.4-165.3-84.600114.2
346N40.3Very low40.9Very low136 Ų136143.2 Ų143.273%0.72781%0.813SS**  cis-148.3142.3-5.6-103.3-13.4000110.5
347M42.3Very low40.7Very low184 Ų184144.5 Ų144.591%0.90682%0.815SS**  trans-88.1104.6158.1-91.4172.349.600108.4
348T40.1Very low40.5Very low133 Ų133143.7 Ų143.782%0.81682%0.815SS**  trans168.7103.5147.844.40000110.4
349S37.5Very low40.2Very low120 Ų120147.7 Ų147.784%0.83982%0.821SS**  trans-146.488.4150.960.50000107.1D351S349-D351 PolarHBondContact O-N 3.25Å
350L45.4Very low40.2Very low171 Ų171146 Ų14690%0.89582%0.82SS**  trans-84.2104.4175.6-172.7139.9000106.6
351D39.3Very low39.9Very low152 Ų152143 Ų14381%0.81381%0.811SS**  trans-113.5126.5169.5-162.510.9000108.6S349 M353S349-D351 PolarHBondContact O-N 3.25Å; D351-M353 PolarHBondContact O-N 3.38Å
352A40.6Very low39.9Very low84 Ų84139.8 Ų139.869%0.69481%0.808SS**  trans-94.399-168.200000109.6D354A352-D354 PolarHBondContact O-N 3.09Å
353M47.6Very low39.7Very low173 Ų173144.7 Ų144.785%0.85281%0.814SS**  trans-79.5109.2167.9-72.3-168.2-6800109.8D351 I355D351-M353 PolarHBondContact O-N 3.38Å; M353-I355 PolarHBondContact O-N 3.19Å
354D39Very low40.5Very low166 Ų166145.2 Ų145.289%0.88881%0.814SS**  trans-68.7119.7176.2-151.8-0.8000109.9A352A352-D354 PolarHBondContact O-N 3.09Å
355I38.4Very low40.4Very low137 Ų137143.1 Ų143.170%0.70382%0.816SS**  trans-111.699.1-179.3-56.6178.2000108.9M353 C357M353-I355 PolarHBondContact O-N 3.19Å; I355-C357 PolarHBondContact O-N 3.49Å
356S37.7Very low40.7Very low115 Ų115140.1 Ų140.180%0.80482%0.817SS**  trans-72.3110.8165.9-176.60000109.8A358S356-A358 PolarHBondContact O-N 3.03Å
357C38.9Very low41.2Very low120 Ų120141.5 Ų141.581%0.81182%0.823SS**  trans-80.8100.1175.1-65.70000110.8I355I355-C357 PolarHBondContact O-N 3.49Å
358A38.4Very low41.3Very low95 Ų95137.9 Ų137.979%0.78581%0.811SS**  trans-111.4116.5162.200000109.5S356S356-A358 PolarHBondContact O-N 3.03Å
359Y38.1Very low41.1Very low233 Ų233137.7 Ų137.791%0.91481%0.812SS**  trans-81.7123.1-174.6-176.5-89.8000111.3
360S37Very low41Very low114 Ų114138 Ų13880%0.79781%0.81SS**  trans-159.3132154.4-164.70000110.6
361G38.4Very low40.7Very low68 Ų68139.2 Ų139.270%0.70181%0.81SS**  trans-83125.9-170.800000113.8
362S40.7Very low40.8Very low117 Ų117142.2 Ų142.282%0.81882%0.816SS**  trans-174.1158.9147.934.40000110.6
363Y39.5Very low40.4Very low219 Ų219149.2 Ų149.286%0.85983%0.825SS**  trans-55.3142.9-171.4-67.6-95.6000114.3M365Y363-M365 PolarHBondContact O-N 3.02Å
364P48.6Very low39.9Very low131 Ų131152.6 Ų152.685%0.85183%0.828SS**  trans-74.699.8177.130.7-33.9000111.3
365M45.3Very low39.5Very low175 Ų175149.8 Ų149.886%0.86282%0.821SS**  trans-71.4133.5162.2-87.2-67.8-166.500110.2Y363 I367Y363-M365 PolarHBondContact O-N 3.02Å; M365-I367 PolarHBondContact O-N 3.1Å; M365-I367 VanDerWaalsContact O-N 3.15Å
366A42.1Very low39.1Very low100 Ų100148.7 Ų148.783%0.82683%0.825SS**  trans-71.4107.1-179.800000111.4
367I51.3Low38.9Very low164 Ų164151.4 Ų151.484%0.84183%0.827SS**  trans-81.1117.8176.5-50.5178.2000109.2M365M365-I367 PolarHBondContact O-N 3.1Å; M365-I367 VanDerWaalsContact O-N 3.15Å
368T43.3Very low39.2Very low108 Ų108150 Ų15066%0.66382%0.816SS**  trans-84.6141.8171.448.70000110.8T370T368-T370 PolarHBondContact O-N 3.43Å; T368-T370 VanDerWaalsContact O-N 3.08Å
369P36.3Very low38.9Very low129 Ų129154.1 Ų154.184%0.83882%0.819SS**  trans-76.6102.2-179.5-3.519.5000110.3
370T36Very low39Very low128 Ų128152.5 Ų152.579%0.78582%0.819SS**  trans-72.9132.6172.950.70000111.1T368 K372T368-T370 PolarHBondContact O-N 3.43Å; T368-T370 VanDerWaalsContact O-N 3.08Å; T370-K372 PolarHBondContact O-N 3.09Å
371Q39.1Very low39.1Very low195 Ų195155.9 Ų155.991%0.91182%0.823SS**  trans-58.6121.6-175.5-69.7175.5-25.500113
372K39.8Very low39Very low215 Ų215158 Ų15894%0.93582%0.822SS**  trans-85114.3168.8-157.9169.3-174174.80110.1T370T370-K372 PolarHBondContact O-N 3.09Å
373R33.5Very low38.7Very low232 Ų232157.8 Ų157.888%0.87582%0.818SS**  trans-87131.3-170.5-177.1-171.4-171.8-1605.2112.8
374R36.5Very low39.1Very low243 Ų243154.3 Ų154.392%0.91781%0.814SS**  trans163.2144155.8-90.7159.9-160.7-152.96.7107.4
375S31.6Very low39Very low108 Ų108155.7 Ų155.776%0.75581%0.809SS**  cis-164.5142.2-3.746.50000112
376C28.4Very low38.7Very low114 Ų114153.9 Ų153.977%0.7780%0.802SS**  trans43.5112.4150.1-143.50000122.3
377M34.4Very low39.1Very low171 Ų171159.4 Ų159.484%0.84281%0.807SS**  -177.1156.3100.3-91.3-59.9-83.400110.9
378P44.8Very low38.7Very low91 Ų91156.7 Ų156.759%0.59180%0.803SS**  trans-109.5132-173.536.9-27.1000114.1
379H32.7Very low39Very low181 Ų181154.8 Ų154.884%0.83881%0.805SS**  trans173.9115.5140.2-104.973.3000110.7
380Q40.6Very low39.6Very low199 Ų199154.4 Ų154.493%0.9380%0.8SS**  174.5161.5115.5-92.4-174.264.900111.1
381Q37.6Very low40.4Very low185 Ų185153.6 Ų153.686%0.86480%0.797SS**  trans-93152.1-156.9-166.8167.9-4.600112.9
382T36.1Very low40.9Very low112 Ų112154.4 Ų154.469%0.68779%0.793SS**  trans-57.5158.9-176.1-1.80000114.5
383P35.1Very low41.5Very low113 Ų113154.8 Ų154.873%0.73479%0.789SS**  -124.8139116.71.818.5000113.2
384N48.1Very low42.5Very low146 Ų146149.4 Ų149.478%0.78178%0.782SS**  trans-65.6131.5171.8-70.8-61.6000111
385Q46.6Very low43.5Very low161 Ų161143.8 Ų143.875%0.75278%0.777SS**  trans-12795.8165.2-74.2-68.3-0.800110.6
386I39Very low44.7Very low137 Ų137147.6 Ų147.670%0.70378%0.78SS**  trans36.2109.5140-53.5173.7000116.8S388I386-S388 PolarHBondContact O-N 3.31Å
387K49.3Very low45.9Very low215 Ų215147.5 Ų147.594%0.93578%0.78SS**  trans-71.287.1166.9-67.6175.5179.1173.60111.2G389K387-G389 PolarHBondContact O-N 2.63Å
388S43.7Very low47.1Very low107 Ų107145.8 Ų145.875%0.74878%0.78SS**  trans-79.988.3165.643.20000110.5I386 T390I386-S388 PolarHBondContact O-N 3.31Å; S388-T390 PolarHBondContact O-N 2.73Å
389G49.8Very low47.4Very low69 Ų69152.5 Ų152.571%0.71179%0.793SS**  trans-65.9125.5172.200000111.2K387K387-G389 PolarHBondContact O-N 2.63Å
390T49.2Very low48.5Very low120 Ų120155.7 Ų155.774%0.73680%0.798SS**  trans-67.4130.8173.349.80000110.1S388 Y392S388-T390 PolarHBondContact O-N 2.73Å; T390-Y392 VanDerWaalsContact C-N 3.25Å; T390-Y392 PolarHBondContact O-N 3.09Å
391P52.8Low49.1Very low111 Ų111149.1 Ų149.172%0.72178%0.783SS**SBendtrans-76-6.7-168.927.4-33.8000114.8
392Y49.2Very low49.9Very low212 Ų212147.2 Ų147.283%0.83178%0.784SS**  trans-124.580.9-177.3-61-69.6000111.5T390T390-Y392 VanDerWaalsContact C-N 3.25Å; T390-Y392 PolarHBondContact O-N 3.09Å
393R52.2Low50.6Low223 Ų223145.4 Ų145.484%0.84278%0.78SS**PPolyproline II helixtrans-85.8118.2161.1-166.9173.3-164.1147.56.1107.6
394T56Low51.3Low119 Ų119144 Ų14473%0.7377%0.771SS**PPolyproline II helixtrans-52135.6172.944.50000110K396T394-K396 PolarHBondContact O-N 3.11Å
395P56.5Low51.9Low125 Ų125143.8 Ų143.881%0.81278%0.775SS**PPolyproline II helixtrans-56135.5174.724-32.6000108.6S397P395-S397 PolarHBondContact O-N 3.14Å
396K57.7Low52.4Low188 Ų188142.4 Ų142.482%0.81777%0.773SS**PPolyproline II helixtrans-53.8129.3179.9-66.2177.1-178.4171.90107.9T394 V398T394-K396 PolarHBondContact O-N 3.11Å; K396-V398 PolarHBondContact O-N 2.65Å
397S53.2Low53.2Low112 Ų112142.9 Ų142.978%0.78378%0.777SS**  trans-49.2115169.553.70000108.4P395 R399P395-S397 PolarHBondContact O-N 3.14Å; S397-R399 PolarHBondContact O-N 3.2Å; S397-R399 VanDerWaalsContact O-N 3.11Å
398V58.1Low53.7Low136 Ų136135 Ų13582%0.82476%0.756SS**  trans-55.7122.7178174.40000106.8K396 R400K396-V398 PolarHBondContact O-N 2.65Å; V398-R400 PolarHBondContact O-N 2.8Å; V398-R400 VanDerWaalsContact O-N 3.08Å
399R51.8Low54.5Low232 Ų232136.3 Ų136.388%0.87575%0.745SS**  trans-54.2120.5170.4-70.1177.5173.8176.8-4.4105.9S397 G401S397-R399 PolarHBondContact O-N 3.2Å; S397-R399 VanDerWaalsContact O-N 3.11Å; R399-G401 PolarHBondContact O-N 2.77Å
400R55.9Low54.9Low247 Ų247139.8 Ų139.893%0.93275%0.746SS**  trans-56.3115.2168.5-62.6-175.6-162.1-116.54.1105.8V398V398-R400 PolarHBondContact O-N 2.8Å; V398-R400 VanDerWaalsContact O-N 3.08Å
401G52.9Low55.3Low61 Ų61142.8 Ų142.863%0.62976%0.756SS**PPolyproline II helixtrans-59.8162.2171.900000109.6R399 A403R399-G401 PolarHBondContact O-N 2.77Å; G401-A403 PolarHBondContact O-N 3.35Å
402V54.8Low55.8Low145 Ų145140.8 Ų140.888%0.87976%0.756SS**PPolyproline II helixtrans-48.5130.1169.7174.60000108.2P404V402-P404 WeakPolarHBondContact O-CD 3.48Å
403A50.5Low56.5Low74 Ų74134 Ų13461%0.61274%0.736SS**PPolyproline II helixtrans-58124.1177.600000108.5G401 V405G401-A403 PolarHBondContact O-N 3.35Å; A403-V405 PolarHBondContact O-N 2.85Å
404P49.3Very low57.2Low84 Ų84125.5 Ų125.555%0.54571%0.71SS.*PPolyproline II helixtrans-56.6130.9172.8-21.829.5000109.4V402 R409V402-P404 WeakPolarHBondContact O-CD 3.48Å; P404-R409 PolarHBondContact O-NH1 3.18Å; P404-R409 PolarHBondContact O-NH2 3.02Å
405V61.3Low57.3Low142 Ų142125 Ų12586%0.86170%0.703SS**SBendtrans-60.3147.4161.5171.90000107.4A403A403-V405 PolarHBondContact O-N 2.85Å
406D56.3Low57.6Low131 Ų131128 Ų12870%0.70170%0.699SS**SBendtrans82.2166174.7-139.6-1.8000117.5R409D406-R409 PolarHBondContact O-NH1 2.83Å
407D57.2Low57.8Low148 Ų148124.7 Ų124.779%0.79169%0.69SS**SBendtrans-78169.8-132.9-123.8-26.6000119.5R409D407-R409 PolarHBondContact O-N 3.03Å
408G60.4Low58.3Low48 Ų48120 Ų12050%0.49566%0.658SS.*  trans87.2-23.3147.200000120.7I410G408-I410 VanDerWaalsContact C-N 3.33Å; G408-I410 PolarHBondContact O-N 3.49Å
409R58.6Low58.6Low136 Ų136116.6 Ų116.651%0.51364%0.639SS.*  trans-75.672-174.557.1178.3-172.8-66.1-18.2114.9P404 D406 D407 L411P404-R409 PolarHBondContact O-NH1 3.18Å; P404-R409 PolarHBondContact O-NH2 3.02Å; D406-R409 PolarHBondContact O-NH1 2.83Å; D407-R409 PolarHBondContact O-N 3.03Å; R409-L411 PolarHBondContact O-N 3.21Å
410I59.5Low59.3Low142 Ų142107.9 Ų107.973%0.72861%0.608SS**  trans-73.294.5174.9-59.9174000109.7G408 G412G408-I410 VanDerWaalsContact C-N 3.33Å; G408-I410 PolarHBondContact O-N 3.49Å; I410-G412 PolarHBondContact O-N 2.96Å
411L58.1Low59.6Low183 Ų18399.8 Ų99.896%0.95858%0.583SS**THydrogen-bonded Turntrans-7293.1179.1-156.591.5000110.5R409R409-L411 PolarHBondContact O-N 3.21Å
412G62.4Low59.9Low69 Ų69102 Ų10271%0.71158%0.579SS**THydrogen-bonded Turntrans178.9-35.3178.400000115.8I410I410-G412 PolarHBondContact O-N 2.96Å
413T63Low60.4Low68 Ų68100.3 Ų100.342%0.41757%0.565SS.*SBendtrans-88.8124.8172.5-56.10000109.1D415 L417 A418T413-D415 PolarHBondContact O-N 2.86Å; T413-L417 HydrophobicContact CG2-CB 4.01Å; T413-A418 HydrophobicContact CG2-CB 4.26Å
414P67.8Low60.9Low46 Ų4699.8 Ų99.830%0.29957%0.567SS.*  trans-58.4136.5174.5-22.429.8000112.7Y416 L417P414-Y416 HydrophobicContact CB-CD1 3.86Å; P414-Y416 HydrophobicContact CB-CD2 4.24Å; P414-Y416 HydrophobicContact CB-CE1 3.32Å; P414-Y416 HydrophobicContact CB-CE2 3.74Å; P414-Y416 HydrophobicContact CB-CG 4.29Å; P414-Y416 WeakPolarHBondContact CB-OH 3.41Å; P414-Y416 HydrophobicContact CG-CE1 4.31Å; P414-Y416 HydrophobicContact CG-CE2 4.31Å; P414-Y416 PolarHBondContact O-N 2.95Å; P414-L417 HydrophobicContact CG-CD1 4.31Å; P414-L417 PolarHBondContact O-N 2.83Å
415D57.1Low61.6Low108 Ų108101.7 Ų101.758%0.57856%0.563SS**THydrogen-bonded Turntrans-52.4-27.8-173.6-54.42.4000114.6T413 L422T413-D415 PolarHBondContact O-N 2.86Å; D415-L422 HydrophobicContact CB-CD1 3.39Å; D415-L422 VanDerWaalsContact CG-CD1 3.42Å
416Y63.7Low61.6Low187 Ų18797.3 Ų97.373%0.73354%0.542SS*.THydrogen-bonded Turntrans-79.5-10.3178.254-100.7000114.8P414P414-Y416 HydrophobicContact CB-CD1 3.86Å; P414-Y416 HydrophobicContact CB-CD2 4.24Å; P414-Y416 HydrophobicContact CB-CE1 3.32Å; P414-Y416 HydrophobicContact CB-CE2 3.74Å; P414-Y416 HydrophobicContact CB-CG 4.29Å; P414-Y416 WeakPolarHBondContact CB-OH 3.41Å; P414-Y416 HydrophobicContact CG-CE1 4.31Å; P414-Y416 HydrophobicContact CG-CE2 4.31Å; P414-Y416 PolarHBondContact O-N 2.95Å
417L62.9Low61.8Low120 Ų12096.3 Ų96.363%0.62853%0.533SS*.THydrogen-bonded Turntrans-95.8-20.2177.5-72178000113.7T413 P414T413-L417 HydrophobicContact CG2-CB 4.01Å; P414-L417 HydrophobicContact CG-CD1 4.31Å; P414-L417 PolarHBondContact O-N 2.83Å
418A63.4Low62.4Low12 Ų1294 Ų9410%0.09952%0.517CS..  trans-157.964.2-179.100000111.7T413 E420 L421T413-A418 HydrophobicContact CG2-CB 4.26Å; A418-E420 VanDerWaalsContact C-OE2 3.27Å; A418-E420 WeakPolarHBondContact CA-OE2 3.42Å; A418-E420 PolarHBondContact O-N 3Å; A418-L421 HydrophobicContact CB-CD1 3.62Å; A418-L421 HydrophobicContact CB-CG 3.86Å; A418-L421 WeakPolarHBondContact O-CB 3.43Å; A418-L421 PolarHBondContact O-N 2.68Å
419P63.7Low63.2Low66 Ų6695 Ų9543%0.42951%0.511SS..Hα-helixtrans-57.2-30.5-179.224.6-35.1000112.9L421 L422 L423P419-L421 PolarHBondContact O-N 3.48Å; P419-L422 PolarHBondContact O-N 3.26Å; P419-L422 VanDerWaalsContact O-N 3.08Å; P419-L423 WeakPolarHBondContact O-CD1 3.29Å; P419-L423 PolarHBondContact O-N 3.32Å; P419-L423 VanDerWaalsContact O-N 3.14Å
420E65.9Low64.2Low49 Ų4991.5 Ų91.523%0.22950%0.5CS..Hα-helixtrans-59-27.1176.467.6-7617800113.7A418 G424 R425 L429A418-E420 VanDerWaalsContact C-OE2 3.27Å; A418-E420 WeakPolarHBondContact CA-OE2 3.42Å; A418-E420 PolarHBondContact O-N 3Å; E420-G424 PolarHBondContact O-N 3.26Å; E420-R425 HydrophobicContact CB-CB 4.08Å; E420-R425 WeakPolarHBondContact O-CA 3Å; E420-R425 PolarHBondContact O-N 3.27Å; E420-L429 HydrophobicContact CG-CD1 4.1Å; E420-L429 HydrophobicContact CG-CG 4.22Å
421L61.9Low65.1Low77 Ų7794 Ų9440%0.40350%0.5SS..Hα-helixtrans-71.6-36.1175.4-61.9179.7000111.9A418 P419 G424A418-L421 HydrophobicContact CB-CD1 3.62Å; A418-L421 HydrophobicContact CB-CG 3.86Å; A418-L421 WeakPolarHBondContact O-CB 3.43Å; A418-L421 PolarHBondContact O-N 2.68Å; P419-L421 PolarHBondContact O-N 3.48Å; L421-G424 PolarHBondContact O-N 2.83Å
422L60.6Low66.4Low106 Ų10690 Ų9056%0.55548%0.476SS*.Hα-helixtrans-73.2-32.4176.5-69.2157.9000112.2D415 P419 G424D415-L422 HydrophobicContact CB-CD1 3.39Å; D415-L422 VanDerWaalsContact CG-CD1 3.42Å; P419-L422 PolarHBondContact O-N 3.26Å; P419-L422 VanDerWaalsContact O-N 3.08Å; L422-G424 PolarHBondContact O-N 3.02Å
423L65Low67.6Low110 Ų11091.5 Ų91.558%0.57647%0.473SS*.THydrogen-bonded Turntrans-80.12.3175.5-81.981.1000113.2P419 R425P419-L423 WeakPolarHBondContact O-CD1 3.29Å; P419-L423 PolarHBondContact O-N 3.32Å; P419-L423 VanDerWaalsContact O-N 3.14Å; L423-R425 HydrophobicContact CB-CB 4.42Å; L423-R425 HydrophobicContact CB-CG 4Å; L423-R425 PolarHBondContact O-N 3.49Å
424G61.5Low68.9Low64 Ų6494.4 Ų94.466%0.6649%0.486SS*.THydrogen-bonded Turntrans65.612.8-174.300000113.9E420 L421 L422 A426E420-G424 PolarHBondContact O-N 3.26Å; L421-G424 PolarHBondContact O-N 2.83Å; L422-G424 PolarHBondContact O-N 3.02Å; G424-A426 PolarHBondContact O-N 3.06Å
425R63Low69.9Low124 Ų12495.5 Ų95.547%0.46849%0.486SS..THydrogen-bonded Turntrans-86.331.3-176.1-71.8-179.3177.6-14012.1113.3E420 L423 H427 E428E420-R425 HydrophobicContact CB-CB 4.08Å; E420-R425 WeakPolarHBondContact O-CA 3Å; E420-R425 PolarHBondContact O-N 3.27Å; L423-R425 HydrophobicContact CB-CB 4.42Å; L423-R425 HydrophobicContact CB-CG 4Å; L423-R425 PolarHBondContact O-N 3.49Å; R425-H427 PolarHBondContact O-N 2.96Å; R425-E428 HydrophobicContact CB-CG 4.32Å; R425-E428 WeakPolarHBondContact CD-OE1 3.35Å; R425-E428 IonicContact CZ-OE1 3.62Å; R425-E428 IonicContact NE-OE1 3.86Å; R425-E428 IonicContact NH1-OE1 2.7Å; R425-E428 PolarHBondContact NH1-OE1 2.91Å; R425-E428 IonicContact NH1-OE2 3.98Å; R425-E428 PolarHBondContact O-N 3.18Å
426A61.3Low71.3Confident50 Ų5094.6 Ų94.641%0.41349%0.488SS..Hα-helixtrans-52.8-23.7169.300000112.8G424 E428 L429 K430G424-A426 PolarHBondContact O-N 3.06Å; A426-E428 VanDerWaalsContact C-N 3.28Å; A426-E428 PolarHBondContact O-N 2.77Å; A426-L429 PolarHBondContact O-N 3.42Å; A426-K430 PolarHBondContact O-N 3.01Å
427H60.6Low72.4Confident110 Ų11092.9 Ų92.951%0.50949%0.491SS..Hα-helixtrans-62.9-22.6172.6-113.877.9000115.5R425 R431R425-H427 PolarHBondContact O-N 2.96Å; H427-R431 WeakPolarHBondContact O-CG 3.45Å
428E69.6Low73.6Confident99 Ų9989.1 Ų89.146%0.46347%0.473SS..Hα-helixtrans-76.6-39.8176.7-68.8-179.6177.900110.9R425 A426 R431 H432R425-E428 HydrophobicContact CB-CG 4.32Å; R425-E428 WeakPolarHBondContact CD-OE1 3.35Å; R425-E428 IonicContact CZ-OE1 3.62Å; R425-E428 IonicContact NE-OE1 3.86Å; R425-E428 IonicContact NH1-OE1 2.7Å; R425-E428 PolarHBondContact NH1-OE1 2.91Å; R425-E428 IonicContact NH1-OE2 3.98Å; R425-E428 PolarHBondContact O-N 3.18Å; A426-E428 VanDerWaalsContact C-N 3.28Å; A426-E428 PolarHBondContact O-N 2.77Å; E428-R431 PolarHBondContact O-N 2.68Å; E428-R431 VanDerWaalsContact O-N 3.12Å; E428-H432 PolarHBondContact O-N 3.25Å
429L77.3Confident74.7Confident69 Ų6992 Ų9236%0.36149%0.487SS..Hα-helixtrans-62.4-41.7171.9-66175.8000111.7E420 A426 R431 H432 F435E420-L429 HydrophobicContact CG-CD1 4.1Å; E420-L429 HydrophobicContact CG-CG 4.22Å; A426-L429 PolarHBondContact O-N 3.42Å; L429-R431 PolarHBondContact O-N 3.19Å; L429-R431 VanDerWaalsContact O-N 3.08Å; L429-H432 WeakPolarHBondContact O-CB 3.41Å; L429-H432 PolarHBondContact O-N 3.29Å; L429-H432 VanDerWaalsContact O-N 3.08Å; L429-F435 WeakPolarHBondContact O-CD2 3.48Å
430K79Confident75.9Confident63 Ų6392.9 Ų92.927%0.27448%0.482SS..THydrogen-bonded Turntrans-55.8-25.7174.2-71.6-161171.7-170.20113.6A426 W440 E441A426-K430 PolarHBondContact O-N 3.01Å; K430-W440 HydrophobicContact CB-CD2 4.39Å; K430-W440 HydrophobicContact CB-CG 4.3Å; K430-W440 HydrophobicContact CD-CB 3.81Å; K430-W440 HydrophobicContact CD-CD2 4.07Å; K430-W440 HydrophobicContact CD-CG 3.65Å; K430-W440 HydrophobicContact CG-CB 4.44Å; K430-W440 HydrophobicContact CG-CD2 3.7Å; K430-W440 HydrophobicContact CG-CE3 4.29Å; K430-W440 HydrophobicContact CG-CG 3.76Å; K430-W440 HydrophobicContact CG-CZ2 4.32Å; K430-W440 PolarHBondContact O-NE1 3.13Å; K430-E441 IonicContact NZ-OE1 2.75Å; K430-E441 PolarHBondContact NZ-OE1 3.5Å
431R80Confident76.9Confident194 Ų19498.1 Ų98.173%0.73251%0.506SS*.THydrogen-bonded Turntrans-99.6-1.4-177.8-67.7174.7-179.6173.31.9113.8H427 E428 L429H427-R431 WeakPolarHBondContact O-CG 3.45Å; E428-R431 PolarHBondContact O-N 2.68Å; E428-R431 VanDerWaalsContact O-N 3.12Å; L429-R431 PolarHBondContact O-N 3.19Å; L429-R431 VanDerWaalsContact O-N 3.08Å
432H84.9Confident78.2Confident98 Ų9897.6 Ų97.645%0.45450%0.504SS..SBendtrans-70.9137.6180-175.6-95.1000110.5E428 L429 L434 F435E428-H432 PolarHBondContact O-N 3.25Å; L429-H432 WeakPolarHBondContact O-CB 3.41Å; L429-H432 PolarHBondContact O-N 3.29Å; L429-H432 VanDerWaalsContact O-N 3.08Å; H432-L434 VanDerWaalsContact ND1-CB 3.29Å; H432-L434 WeakPolarHBondContact ND1-CB 3.28Å; H432-L434 PolarHBondContact ND1-N 3.13Å; H432-L434 PolarHBondContact O-N 2.91Å; H432-F435 HydrophobicContact CB-CD2 4.19Å; H432-F435 PolarHBondContact O-N 2.79Å
433P88.3Confident79.5Confident101 Ų10196.6 Ų96.666%0.65650%0.499SS*.G310 helixtrans-54.9-29.5-174.3-29.436000115.3F435 S436P433-F435 PolarHBondContact O-N 3.05Å; P433-S436 PolarHBondContact O-N 3.46Å; P433-S436 PolarHBondContact O-OG 2.98Å
434L89.1Confident80.5Confident130 Ų130100.1 Ų100.168%0.68151%0.512SS*.G310 helixtrans-60.1-25.6175.4-174.462.7000113.7H432H432-L434 VanDerWaalsContact ND1-CB 3.29Å; H432-L434 WeakPolarHBondContact ND1-CB 3.28Å; H432-L434 PolarHBondContact ND1-N 3.13Å; H432-L434 PolarHBondContact O-N 2.91Å
435F88.8Confident81.9Confident69 Ų69103.9 Ų103.930%0.30351%0.512SS..G310 helixtrans-113.720-177-52.6-66.2000112.6L429 H432 P433 D437 V438 W440L429-F435 WeakPolarHBondContact O-CD2 3.48Å; H432-F435 HydrophobicContact CB-CD2 4.19Å; H432-F435 PolarHBondContact O-N 2.79Å; P433-F435 PolarHBondContact O-N 3.05Å; F435-D437 PolarHBondContact O-N 2.96Å; F435-V438 HydrophobicContact CB-CB 4.33Å; F435-V438 HydrophobicContact CB-CG2 4.05Å; F435-V438 HydrophobicContact CD1-CG2 4.13Å; F435-V438 PolarHBondContact O-N 3.29Å; F435-V438 VanDerWaalsContact O-N 3.14Å; F435-W440 HydrophobicContact CB-CZ2 3.61Å; F435-W440 HydrophobicContact CD1-CZ2 4.31Å; F435-W440 HydrophobicContact CD2-CZ2 4.29Å; F435-W440 HydrophobicContact CG-CH2 4.44Å; F435-W440 AromaticContact CG-CZ2 3.84Å; F435-W440 HydrophobicContact CG-CZ2 3.84Å
436S86.3Confident83.1Confident89 Ų89101.9 Ų101.962%0.62251%0.508SS*.THydrogen-bonded Turntrans-59.5-30.8177.457.60000113.1P433P433-S436 PolarHBondContact O-N 3.46Å; P433-S436 PolarHBondContact O-OG 2.98Å
437D87Confident84.4Confident150 Ų150105.8 Ų105.880%0.80253%0.527SS*.THydrogen-bonded Turntrans-90.8-0.2-177.5-54.5-20.9000112.6F435F435-D437 PolarHBondContact O-N 2.96Å
438V87.8Confident85.8Confident41 Ų41106.3 Ų106.325%0.24853%0.532CS..  trans-89109.7178.6-178.40000109.6F435 W440 L443F435-V438 HydrophobicContact CB-CB 4.33Å; F435-V438 HydrophobicContact CB-CG2 4.05Å; F435-V438 HydrophobicContact CD1-CG2 4.13Å; F435-V438 PolarHBondContact O-N 3.29Å; F435-V438 VanDerWaalsContact O-N 3.14Å; V438-W440 HydrophobicContact CB-CD2 4.42Å; V438-W440 HydrophobicContact CB-CZ2 4.27Å; V438-W440 HydrophobicContact CG1-CD2 3.74Å; V438-W440 HydrophobicContact CG1-CE3 4Å; V438-W440 HydrophobicContact CG1-CG 4.24Å; V438-W440 HydrophobicContact CG1-CH2 4.32Å; V438-W440 HydrophobicContact CG1-CZ2 4.08Å; V438-W440 HydrophobicContact CG1-CZ3 4.27Å; V438-W440 PolarHBondContact O-N 2.98Å; V438-W440 PolarHBondContact O-NE1 3.07Å; V438-L443 HydrophobicContact CG1-CD1 4.26Å
439D88.2Confident86.8Confident74 Ų74108.3 Ų108.340%0.39655%0.553SS.*  trans-74.291.2168.1-174.8-12.2000109.7E441 N442 L443D439-E441 PolarHBondContact O-N 3.15Å; D439-E441 PolarHBondContact OD1-N 2.76Å; D439-E441 VanDerWaalsContact OD1-N 3.09Å; D439-N442 HydrophobicContact CB-CB 4.29Å; D439-N442 VanDerWaalsContact CG-CB 3.41Å; D439-N442 PolarHBondContact O-N 3.45Å; D439-N442 PolarHBondContact OD1-N 2.96Å; D439-N442 WeakPolarHBondContact OD2-CB 3.14Å; D439-L443 WeakPolarHBondContact O-CA 3.36Å; D439-L443 PolarHBondContact O-N 3.08Å
440W86.9Confident87.7Confident84 Ų84110.6 Ų110.632%0.31856%0.56SS.*THydrogen-bonded Turntrans-65.9-20.1-179.1-62.7101.1000114.9K430 F435 V438 L443K430-W440 HydrophobicContact CB-CD2 4.39Å; K430-W440 HydrophobicContact CB-CG 4.3Å; K430-W440 HydrophobicContact CD-CB 3.81Å; K430-W440 HydrophobicContact CD-CD2 4.07Å; K430-W440 HydrophobicContact CD-CG 3.65Å; K430-W440 HydrophobicContact CG-CB 4.44Å; K430-W440 HydrophobicContact CG-CD2 3.7Å; K430-W440 HydrophobicContact CG-CE3 4.29Å; K430-W440 HydrophobicContact CG-CG 3.76Å; K430-W440 HydrophobicContact CG-CZ2 4.32Å; K430-W440 PolarHBondContact O-NE1 3.13Å; F435-W440 HydrophobicContact CB-CZ2 3.61Å; F435-W440 HydrophobicContact CD1-CZ2 4.31Å; F435-W440 HydrophobicContact CD2-CZ2 4.29Å; F435-W440 HydrophobicContact CG-CH2 4.44Å; F435-W440 AromaticContact CG-CZ2 3.84Å; F435-W440 HydrophobicContact CG-CZ2 3.84Å; V438-W440 HydrophobicContact CB-CD2 4.42Å; V438-W440 HydrophobicContact CB-CZ2 4.27Å; V438-W440 HydrophobicContact CG1-CD2 3.74Å; V438-W440 HydrophobicContact CG1-CE3 4Å; V438-W440 HydrophobicContact CG1-CG 4.24Å; V438-W440 HydrophobicContact CG1-CH2 4.32Å; V438-W440 HydrophobicContact CG1-CZ2 4.08Å; V438-W440 HydrophobicContact CG1-CZ3 4.27Å; V438-W440 PolarHBondContact O-N 2.98Å; V438-W440 PolarHBondContact O-NE1 3.07Å; W440-L443 HydrophobicContact CE3-CD2 4.42Å
441E88.1Confident88.3Confident158 Ų158113.2 Ų113.274%0.73858%0.576SS**THydrogen-bonded Turntrans-90-27.2-179.4-54-53.112000110.8K430 D439K430-E441 IonicContact NZ-OE1 2.75Å; K430-E441 PolarHBondContact NZ-OE1 3.5Å; D439-E441 PolarHBondContact O-N 3.15Å; D439-E441 PolarHBondContact OD1-N 2.76Å; D439-E441 VanDerWaalsContact OD1-N 3.09Å
442N89.1Confident89Confident66 Ų66106.9 Ų106.935%0.35356%0.56SS.*THydrogen-bonded Turntrans-104.99177.4-157.736.6000114.6D439 Q444 H445 Q446D439-N442 HydrophobicContact CB-CB 4.29Å; D439-N442 VanDerWaalsContact CG-CB 3.41Å; D439-N442 PolarHBondContact O-N 3.45Å; D439-N442 PolarHBondContact OD1-N 2.96Å; D439-N442 WeakPolarHBondContact OD2-CB 3.14Å; N442-Q444 PolarHBondContact O-N 3.08Å; N442-H445 PolarHBondContact O-N 3.48Å; N442-H445 WeakPolarHBondContact OD1-CB 3.23Å; N442-H445 PolarHBondContact OD1-ND1 3.11Å; N442-Q446 PolarHBondContact O-N 2.97Å
443L88Confident89.5Confident86 Ų86110 Ų11045%0.4558%0.575SS.*THydrogen-bonded Turntrans-51.1-33.2-172.8-173.663.3000114.3V438 D439 W440 H445 Q446V438-L443 HydrophobicContact CG1-CD1 4.26Å; D439-L443 WeakPolarHBondContact O-CA 3.36Å; D439-L443 PolarHBondContact O-N 3.08Å; W440-L443 HydrophobicContact CE3-CD2 4.42Å; L443-H445 VanDerWaalsContact C-N 3.32Å; L443-H445 PolarHBondContact O-N 3.31Å; L443-Q446 PolarHBondContact O-N 3.21Å
444Q86.4Confident89.9Confident184 Ų184108.6 Ų108.686%0.8657%0.566SS**THydrogen-bonded Turntrans-72-21.8178.2-62.9-176.17.500114.1N442N442-Q444 PolarHBondContact O-N 3.08Å
445H89.2Confident90.1Very high142 Ų142109.8 Ų109.866%0.65757%0.573SS**THydrogen-bonded Turntrans-104.9-1.4177.5-45.2111.2000112.5N442 L443N442-H445 PolarHBondContact O-N 3.48Å; N442-H445 WeakPolarHBondContact OD1-CB 3.23Å; N442-H445 PolarHBondContact OD1-ND1 3.11Å; L443-H445 VanDerWaalsContact C-N 3.32Å; L443-H445 PolarHBondContact O-N 3.31Å
446Q88.8Confident90.3Very high82 Ų82110.9 Ų110.938%0.38358%0.582SS.*SBendtrans-68.2137.3170.4-69.6-165.4-33.800110.2N442 L443 M448N442-Q446 PolarHBondContact O-N 2.97Å; L443-Q446 PolarHBondContact O-N 3.21Å; Q446-M448 PolarHBondContact O-N 2.94Å
447T89.6Confident90.7Very high133 Ų133116.5 Ų116.582%0.81660%0.598SS**PPolyproline II helixtrans-67.8121.3173.750.50000109.9
448M89.9Confident91Very high121 Ų121114.7 Ų114.760%0.59659%0.593SS**PPolyproline II helixtrans-61131.5178-160.5162.673.800110Q446 F450Q446-M448 PolarHBondContact O-N 2.94Å; M448-F450 WeakPolarHBondContact CE-O 3.43Å; M448-F450 WeakPolarHBondContact CG-O 3.45Å; M448-F450 PolarHBondContact O-N 3.05Å; M448-F450 VanDerWaalsContact O-N 3.17Å
449P91.1Very high91.2Very high141 Ų141114.9 Ų114.992%0.91659%0.592SS**SBendtrans-67.9-17.9-172.826.9-36.3000113.5
450F94.7Very high91.4Very high116 Ų116115.8 Ų115.851%0.50960%0.601SS.*  trans-128.1133171.2169.8-109.6000107.9M448 P452 Y462M448-F450 WeakPolarHBondContact CE-O 3.43Å; M448-F450 WeakPolarHBondContact CG-O 3.45Å; M448-F450 PolarHBondContact O-N 3.05Å; M448-F450 VanDerWaalsContact O-N 3.17Å; F450-P452 HydrophobicContact CE1-CB 4.42Å; F450-P452 HydrophobicContact CE1-CG 3.86Å; F450-P452 HydrophobicContact CZ-CB 4.44Å; F450-P452 HydrophobicContact CZ-CG 4.36Å; F450-Y462 AromaticContact CZ-CE1 3.7Å; F450-Y462 HydrophobicContact CZ-CE1 3.7Å; F450-Y462 AromaticContact CZ-CZ 3.92Å
451I93.1Very high91.5Very high118 Ų118115.5 Ų115.561%0.60561%0.611SS**  trans-121.9121.8172.1-60.5175.4000105.7Q453I451-Q453 PolarHBondContact O-N 3.04Å
452P94.7Very high91.8Very high62 Ų62114 Ų11440%0.40360%0.6SS.*  trans-55.7138.7175.7-24.633.6000111.4F450 P454 Y462F450-P452 HydrophobicContact CE1-CB 4.42Å; F450-P452 HydrophobicContact CE1-CG 3.86Å; F450-P452 HydrophobicContact CZ-CB 4.44Å; F450-P452 HydrophobicContact CZ-CG 4.36Å; P452-P454 VanDerWaalsContact O-CD 3.29Å; P452-P454 WeakPolarHBondContact O-CD 3.15Å; P452-Y462 HydrophobicContact CB-CD2 4.32Å; P452-Y462 HydrophobicContact CB-CE2 3.77Å
453Q95.2Very high91.8Very high163 Ų163118.2 Ų118.276%0.76262%0.616SS**  trans-119.271.6177.3-59.3-168.2-74.500109.6I451 Y462I451-Q453 PolarHBondContact O-N 3.04Å; Q453-Y462 PolarHBondContact N-OH 3.39Å
454P95.3Very high91.6Very high71 Ų71120.8 Ų120.846%0.46163%0.625SS.*  trans-67.6145172.929.6-33.9000110.9P452 D459P452-P454 VanDerWaalsContact O-CD 3.29Å; P452-P454 WeakPolarHBondContact O-CD 3.15Å; P454-D459 VanDerWaalsContact CA-OD2 3.28Å; P454-D459 WeakPolarHBondContact CA-OD2 3.42Å; P454-D459 HydrophobicContact CB-CB 3.85Å
455D93.2Very high91.4Very high155 Ų155114.7 Ų114.783%0.82961%0.606SS**SBendtrans-70-36.7178.6-76.3-33.4000112.4D459D455-D459 PolarHBondContact N-OD2 3.14Å
456D94.7Very high90.8Very high93 Ų93117.7 Ų117.750%0.49761%0.612SS.*SBendtrans-151.1178.8174.669.144.5000112.9T458 D459D456-T458 PolarHBondContact O-N 3.49Å; D456-T458 VanDerWaalsContact O-N 3.14Å; D456-T458 VanDerWaalsContact OD1-CA 3.23Å; D456-T458 WeakPolarHBondContact OD1-CA 3.49Å; D456-T458 WeakPolarHBondContact OD1-CB 3.47Å; D456-T458 PolarHBondContact OD1-N 3.31Å; D456-T458 PolarHBondContact OD1-OG1 3.48Å; D456-D459 WeakPolarHBondContact O-CB 3.34Å; D456-D459 PolarHBondContact O-N 3.33Å; D456-D459 VanDerWaalsContact O-N 3.11Å; D456-D459 PolarHBondContact OD1-N 2.97Å; D456-D459 VanDerWaalsContact OD1-N 3.09Å
457E94.1Very high89.9Confident206 Ų206117.5 Ų117.596%0.96361%0.613SS**THydrogen-bonded Turntrans-62.7-15.5-179.8-63.4-174.1173.900114.5
458T92.1Very high89.1Confident112 Ų112115.2 Ų115.269%0.68760%0.599SS**THydrogen-bonded Turntrans-104.6-1.5178.570.60000113.2D456 T460D456-T458 PolarHBondContact O-N 3.49Å; D456-T458 VanDerWaalsContact O-N 3.14Å; D456-T458 VanDerWaalsContact OD1-CA 3.23Å; D456-T458 WeakPolarHBondContact OD1-CA 3.49Å; D456-T458 WeakPolarHBondContact OD1-CB 3.47Å; D456-T458 PolarHBondContact OD1-N 3.31Å; D456-T458 PolarHBondContact OD1-OG1 3.48Å; T458-T460 PolarHBondContact O-N 3.07Å
459D92.4Very high88.3Confident45 Ų45112 Ų11224%0.24159%0.591CS.*  trans-64123.9179.3-177.823.5000111.3P454 D455 D456 S461P454-D459 VanDerWaalsContact CA-OD2 3.28Å; P454-D459 WeakPolarHBondContact CA-OD2 3.42Å; P454-D459 HydrophobicContact CB-CB 3.85Å; D455-D459 PolarHBondContact N-OD2 3.14Å; D456-D459 WeakPolarHBondContact O-CB 3.34Å; D456-D459 PolarHBondContact O-N 3.33Å; D456-D459 VanDerWaalsContact O-N 3.11Å; D456-D459 PolarHBondContact OD1-N 2.97Å; D456-D459 VanDerWaalsContact OD1-N 3.09Å; D459-S461 VanDerWaalsContact CG-OG 3.27Å; D459-S461 WeakPolarHBondContact OD1-CB 3.33Å; D459-S461 PolarHBondContact OD1-N 3.15Å; D459-S461 PolarHBondContact OD1-OG 3.09Å; D459-S461 WeakPolarHBondContact OD2-CB 3.46Å; D459-S461 PolarHBondContact OD2-OG 3.05Å
460T92.3Very high87.7Confident94 Ų94111.2 Ų111.258%0.57758%0.576SS**  trans-11519.9176.656.20000112.8T458 Y462 F463T458-T460 PolarHBondContact O-N 3.07Å; T460-Y462 PolarHBondContact O-N 3.15Å; T460-F463 HydrophobicContact CG2-CD2 4.28Å; T460-F463 WeakPolarHBondContact O-CA 3.27Å; T460-F463 WeakPolarHBondContact O-CB 3.39Å; T460-F463 PolarHBondContact O-N 3.36Å
461S90.4Very high86.7Confident77 Ų77113.9 Ų113.954%0.53859%0.589SS.*THydrogen-bonded Turntrans-50.5-36.9179.758.40000114.4D459 F463D459-S461 VanDerWaalsContact CG-OG 3.27Å; D459-S461 WeakPolarHBondContact OD1-CB 3.33Å; D459-S461 PolarHBondContact OD1-N 3.15Å; D459-S461 PolarHBondContact OD1-OG 3.09Å; D459-S461 WeakPolarHBondContact OD2-CB 3.46Å; D459-S461 PolarHBondContact OD2-OG 3.05Å; S461-F463 PolarHBondContact O-N 2.91Å
462Y93.5Very high86Confident126 Ų126112.7 Ų112.749%0.49458%0.584SS.*THydrogen-bonded Turntrans-76.3-2.1175.7-64-70.3000114.7F450 P452 Q453 T460F450-Y462 AromaticContact CZ-CE1 3.7Å; F450-Y462 HydrophobicContact CZ-CE1 3.7Å; F450-Y462 AromaticContact CZ-CZ 3.92Å; P452-Y462 HydrophobicContact CB-CD2 4.32Å; P452-Y462 HydrophobicContact CB-CE2 3.77Å; Q453-Y462 PolarHBondContact N-OH 3.39Å; T460-Y462 PolarHBondContact O-N 3.15Å
463F89.4Confident85Confident156 Ų156116.4 Ų116.468%0.68461%0.606SS**SBendtrans-109.8123.1178.5-61.5-91.7000111.1T460 S461 A465T460-F463 HydrophobicContact CG2-CD2 4.28Å; T460-F463 WeakPolarHBondContact O-CA 3.27Å; T460-F463 WeakPolarHBondContact O-CB 3.39Å; T460-F463 PolarHBondContact O-N 3.36Å; S461-F463 PolarHBondContact O-N 2.91Å; F463-A465 PolarHBondContact O-N 3.21Å
464E83.8Confident83.9Confident140 Ų140112.9 Ų112.965%0.65460%0.595SS**  trans-71.5122.2170.6-167175.1-158.800110.3R466 A469E464-R466 PolarHBondContact O-N 3.3Å; E464-A469 HydrophobicContact CG-CB 4.15Å
465A82.6Confident82.8Confident55 Ų55113.6 Ų113.646%0.45560%0.602SS.*  trans-60.2127.6176.100000109.9F463 N467 T468 A469F463-A465 PolarHBondContact O-N 3.21Å; A465-N467 PolarHBondContact O-N 3.19Å; A465-T468 WeakPolarHBondContact O-CA 3.29Å; A465-T468 VanDerWaalsContact O-CB 3.27Å; A465-T468 WeakPolarHBondContact O-CB 3.38Å; A465-T468 PolarHBondContact O-N 3.45Å; A465-A469 PolarHBondContact O-N 3.28Å
466R75.6Confident81.4Confident206 Ų206109.9 Ų109.978%0.77760%0.6SS**Hα-helixtrans-53.3-32.9-176.7-70.7-177.2-179.7150.52.8113.6E464 A469 Q470E464-R466 PolarHBondContact O-N 3.3Å; R466-A469 PolarHBondContact O-N 3.41Å; R466-Q470 VanDerWaalsContact O-CB 3.29Å; R466-Q470 WeakPolarHBondContact O-CB 3.45Å; R466-Q470 VanDerWaalsContact O-CG 3.28Å; R466-Q470 WeakPolarHBondContact O-CG 3.28Å; R466-Q470 PolarHBondContact O-N 3.07Å
467N70.9Confident79.7Confident78 Ų78114.5 Ų114.542%0.41762%0.616SS.*Hα-helixtrans-65.7-40.5176.6-58.6-27.5000111.3A465 Q470 H471 L472 V474A465-N467 PolarHBondContact O-N 3.19Å; N467-Q470 CarbonylContact O-C 3.58Å; N467-Q470 PolarHBondContact O-N 3.47Å; N467-H471 CarbonylContact O-C 3.56Å; N467-H471 PolarHBondContact O-N 3.08Å; N467-L472 HydrophobicContact CB-CB 4.31Å; N467-L472 PolarHBondContact O-N 3.19Å; N467-V474 HydrophobicContact CB-CG2 4.06Å; N467-V474 WeakPolarHBondContact ND2-CG2 3.18Å
468T72.6Confident77.4Confident84 Ų84110.4 Ų110.452%0.51561%0.61SS.*Hα-helixtrans-63.8-51.1173.4-50.50000110.9A465 Q470 H471A465-T468 WeakPolarHBondContact O-CA 3.29Å; A465-T468 VanDerWaalsContact O-CB 3.27Å; A465-T468 WeakPolarHBondContact O-CB 3.38Å; A465-T468 PolarHBondContact O-N 3.45Å; T468-Q470 PolarHBondContact O-N 3.15Å; T468-H471 PolarHBondContact O-N 3.41Å
469A72.5Confident74.9Confident53 Ų53116.7 Ų116.744%0.43864%0.638SS.*Hα-helixtrans-61.9-24.7179.200000113.8E464 A465 R466E464-A469 HydrophobicContact CG-CB 4.15Å; A465-A469 PolarHBondContact O-N 3.28Å; R466-A469 PolarHBondContact O-N 3.41Å
470Q79.2Confident74Confident126 Ų126120.3 Ų120.359%0.58966%0.658SS**THydrogen-bonded Turntrans-100.34.8176-65.9-179.4-19.600113.4R466 N467 T468 L472R466-Q470 VanDerWaalsContact O-CB 3.29Å; R466-Q470 WeakPolarHBondContact O-CB 3.45Å; R466-Q470 VanDerWaalsContact O-CG 3.28Å; R466-Q470 WeakPolarHBondContact O-CG 3.28Å; R466-Q470 PolarHBondContact O-N 3.07Å; N467-Q470 CarbonylContact O-C 3.58Å; N467-Q470 PolarHBondContact O-N 3.47Å; T468-Q470 PolarHBondContact O-N 3.15Å; Q470-L472 HydrophobicContact CB-CD1 3.95Å; Q470-L472 HydrophobicContact CB-CG 3.79Å; Q470-L472 PolarHBondContact O-N 3.01Å; Q470-L472 VanDerWaalsContact O-N 3.13Å
471H74.2Confident73Confident171 Ų171121.7 Ų121.779%0.79266%0.663SS**THydrogen-bonded Turntrans49.331.3-172.5-57.1-63.1000114.3N467 T468 T473N467-H471 CarbonylContact O-C 3.56Å; N467-H471 PolarHBondContact O-N 3.08Å; T468-H471 PolarHBondContact O-N 3.41Å; H471-T473 PolarHBondContact O-N 3.44Å
472L77Confident72.1Confident93 Ų93124.2 Ų124.249%0.48767%0.669SS.*  trans-81.2102.2176.9-64.9176.8000109.8N467 Q470 V474N467-L472 HydrophobicContact CB-CB 4.31Å; N467-L472 PolarHBondContact O-N 3.19Å; Q470-L472 HydrophobicContact CB-CD1 3.95Å; Q470-L472 HydrophobicContact CB-CG 3.79Å; Q470-L472 PolarHBondContact O-N 3.01Å; Q470-L472 VanDerWaalsContact O-N 3.13Å; L472-V474 PolarHBondContact O-N 3.32Å
473T74.8Confident70.8Confident140 Ų140124.1 Ų124.186%0.85968%0.68SS**  trans-66.692.1170.1-45.50000109.9H471 S475H471-T473 PolarHBondContact O-N 3.44Å; T473-S475 PolarHBondContact O-N 3.44Å
474V71.8Confident69.7Low90 Ų90122.1 Ų122.155%0.54568%0.679SS.*  trans-72.6126.6169.7-175.80000108N467 L472 G476N467-V474 HydrophobicContact CB-CG2 4.06Å; N467-V474 WeakPolarHBondContact ND2-CG2 3.18Å; L472-V474 PolarHBondContact O-N 3.32Å; V474-G476 PolarHBondContact O-N 3.31Å; V474-G476 VanDerWaalsContact O-N 3.08Å
475S71.1Confident68.7Low85 Ų85120.9 Ų120.959%0.59468%0.681SS**  trans-61.9111.4172.152.30000109.3T473 F477T473-S475 PolarHBondContact O-N 3.44Å; S475-F477 PolarHBondContact O-N 3.39Å
476G64.1Low67.7Low77 Ų77125.6 Ų125.679%0.79470%0.697SS**PPolyproline II helixtrans-60.8133.2177.500000111.2V474V474-G476 PolarHBondContact O-N 3.31Å; V474-G476 VanDerWaalsContact O-N 3.08Å
477F60.3Low67.1Low190 Ų190119.4 Ų119.483%0.83369%0.691SS**PPolyproline II helixtrans-91.8121.1165-67.6-84.5000107.9S475S475-F477 PolarHBondContact O-N 3.39Å
478S44.8Very low66.8Low120 Ų120122.8 Ų122.884%0.83971%0.714SS**PPolyproline II helixtrans-71.2129.6163.956.80000108.8
479L39.3Very low66.3Low245 Ų245126.4 Ų126.4100%1.28373%0.732SS**  trans-87.10165.2-88.7158.2000110.1

Retrieved 479 of 479 residues in 137.4 ms (Link to these results)