A0A3Q0KUF0_SCHMA Loading...

Shb-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KUF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,159 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.3Very low30.7Very low232 Ų232132.3 Ų132.3100%1.14372%0.716SS**  0118.90-81.3159.7167.500106.7
2S25.6Very low31Very low95 Ų95129.2 Ų129.266%0.66471%0.712SS**  84.2129.164-60.40000110.8
3T28.1Very low31Very low112 Ų112126.3 Ų126.369%0.68771%0.707SS**  trans65.1142140.955.80000117.6
4H30Very low31.3Very low165 Ų165126.2 Ų126.276%0.76471%0.71SS**  cis-171.3166.86.7-114.4-28000106.1
5T31.7Very low31.3Very low92 Ų92127 Ų12756%0.56471%0.71SS**  cis-172.9160.4-7.1-154.90000110.2
6L30.9Very low31.2Very low132 Ų132124.8 Ų124.869%0.69171%0.706SS**  trans60.8173.1159.5-59.2174.6000116.6T8L6-T8 HydrophobicContact CD2-CG2 4.31Å
7I32Very low31.4Very low134 Ų134124.1 Ų124.169%0.68771%0.705SS**  cis-137105.8-3.2-137145.7000107.5
8T31.3Very low31.5Very low88 Ų88126.8 Ų126.854%0.5471%0.707SS.*  87.2138.294.858.80000117.8L6L6-T8 HydrophobicContact CD2-CG2 4.31Å
9K32.5Very low31.4Very low182 Ų182126.6 Ų126.679%0.79171%0.71SS**  trans70.7146.2149.1-67.1160.8-175.3178.10116.1
10N32.8Very low31.5Very low130 Ų130127.8 Ų127.870%0.69572%0.715SS**  cis-141.51380.2-105.3-9.2000107.8
11S30.8Very low31.4Very low93 Ų93130.4 Ų130.465%0.6572%0.721SS**  52.2136.191.689.20000114.5
12S34.3Very low31.4Very low95 Ų95121.4 Ų121.466%0.66469%0.688SS**  cis-156.4161.136.5-550000114.6
13S31Very low31.7Very low92 Ų92124.2 Ų124.264%0.64370%0.695SS**  trans29.9138.714262.80000120.7
14V34.7Very low31.9Very low125 Ų125120.9 Ų120.976%0.75868%0.675SS**  -148.8116.252.9158.70000108.3
15I31.4Very low31.9Very low138 Ų138118.1 Ų118.171%0.70867%0.665SS**  65.993.584.1-66.9166.7000110.7
16S30.5Very low31.9Very low92 Ų92123 Ų12364%0.64368%0.679SS**  104.6156.795-160.70000110.1
17T34.4Very low31.9Very low112 Ų112120.5 Ų120.569%0.68768%0.677SS**  cis-147.512716.6-39.60000112.1
18K32.3Very low31.9Very low173 Ų173120.8 Ų120.875%0.75268%0.68SS**  trans21.8139.6135.6-47174.9173.5177.90121.9
19T30.8Very low31.9Very low123 Ų123122.4 Ų122.476%0.75568%0.684SS**  trans67.6155.6131.757.60000119.9
20N32.2Very low31.9Very low151 Ų151121.8 Ų121.881%0.80768%0.682SS**  cis-143.7162.29.2-139.7-1.3000113.6
21Q30.5Very low31.7Very low182 Ų182121.9 Ų121.985%0.8568%0.682SS**  trans-83.5154.6165.6-69.1176.4-2100110.7
22G32.8Very low31.8Very low43 Ų43121.7 Ų121.744%0.44369%0.687SS.*  trans-166.958.3-178.600000112.4T248G22-T248 VanDerWaalsContact O-CG2 3.31Å; G22-T248 WeakPolarHBondContact O-CG2 3.44Å
23N31.7Very low31.4Very low154 Ų154121.8 Ų121.882%0.82469%0.687SS**  trans-97.2123.5-174.5-174.133.4000110.3
24T30.9Very low31.2Very low42 Ų42125 Ų12526%0.25870%0.696SS.*  trans168.9163.7177.6280000112.8T248 V249 T250T24-T248 WeakPolarHBondContact OG1-CG2 3.34Å; T24-V249 VanDerWaalsContact CB-C 3.42Å; T24-V249 WeakPolarHBondContact CB-O 3.28Å; T24-V249 WeakPolarHBondContact CG2-O 3.45Å; T24-V249 WeakPolarHBondContact OG1-CA 3.31Å; T24-V249 PolarHBondContact OG1-N 2.95Å; T24-V249 PolarHBondContact OG1-O 3.06Å; T24-T250 PolarHBondContact OG1-N 3.31Å
25I31.3Very low30.8Very low108 Ų108123.8 Ų123.855%0.55469%0.694SS**  cis-170.4138.2-39.2-129.7168.8000109.9
26K30.6Very low30.6Very low195 Ų195123.2 Ų123.285%0.84870%0.697SS**  trans59.9164.1173.8-58.9166-173.11750113.8
27A30.5Very low30.4Very low79 Ų79128.2 Ų128.265%0.65370%0.703SS**  cis-131.2-172.8-4.400000108.2
28D32.4Very low30.6Very low140 Ų140128.9 Ų128.975%0.74971%0.709SS**  cis-161.1169.521.5-122.1-26000112.8
29L31.7Very low30.4Very low121 Ų121125 Ų12563%0.63470%0.703SS**  trans30.1132.1152.8-87.976.2000124.1
30F33.5Very low30.6Very low170 Ų170124.9 Ų124.975%0.74670%0.698SS**  trans76.4123.7130.6-80.9-137.1000118.5
31N27.3Very low30.7Very low131 Ų131125.7 Ų125.770%0.70170%0.695SS**  93.8159.260.9-79.7-32.9000112.5
32A32.5Very low30.9Very low90 Ų90124.7 Ų124.774%0.74469%0.69SS**  trans67.5130.2-16900000113.7
33S27.2Very low31Very low97 Ų97129.3 Ų129.368%0.67870%0.704SS**  cis82.8121.427.388.30000115.3
34L26.5Very low31.1Very low159 Ų159129.3 Ų129.383%0.83270%0.703SS**  trans67.3169170.4-78.876.6000116.8
35S25.3Very low31.5Very low100 Ų100132 Ų13270%0.69972%0.721SS**  trans-4.4144.7160.254.40000118
36T28.9Very low31.7Very low126 Ų126133.6 Ų133.677%0.77373%0.731SS**  -160.5155.958.5-51.80000113.3
37Y26Very low32Very low197 Ų197130.7 Ų130.777%0.77373%0.725SS**  trans-56.9155.4166-81.6-98.9000113.3
38P38.7Very low32.4Very low125 Ų125133.8 Ų133.881%0.81273%0.729SS**  trans-89.3119.4133.811.67.2000109.2
39S28.3Very low32.6Very low91 Ų91133.4 Ų133.464%0.63673%0.727SS**  trans-111.5117.2170.9-630000110.4
40D34.1Very low32.8Very low122 Ų122134.3 Ų134.365%0.65274%0.737SS**  trans-138.2116.3163.2-90.7-49.1000108
41K33.8Very low32.8Very low168 Ų168134.8 Ų134.873%0.7374%0.739SS**  64.3119.197.9-66.7-174.6-166.494.90111.7
42Q34.7Very low33Very low160 Ų160136.6 Ų136.675%0.74875%0.747SS**  cis-159.617016.1-97.8153-4.500111.6
43N34.4Very low32.9Very low140 Ų140137.6 Ų137.675%0.74974%0.744SS**  trans72.3121.3167.5-51.4-24.4000117.2
44I33.9Very low33.1Very low154 Ų154138.1 Ų138.179%0.7975%0.747SS**  cis79.5128.517-50.1178.3000113.8
45P39.3Very low33.3Very low100 Ų100134.8 Ų134.865%0.64974%0.743SS**  cis-140.6-170.5-16.638.3-18.2000116.8
46N36.6Very low33.6Very low141 Ų141135.6 Ų135.675%0.75475%0.749SS**  trans108.8111.7155.5-58-34.2000116.6
47N37Very low33.8Very low134 Ų134136 Ų13672%0.71775%0.751SS**  83.8128.861.9-157.927.5000110.6
48I38.9Very low34Very low144 Ų144133.6 Ų133.674%0.73875%0.751SS**  cis-142.5157.633.5-62.4160.3000112.9
49D36.9Very low33.8Very low132 Ų132133.5 Ų133.571%0.70675%0.75SS**  trans-60.4175.5171.7-59.9-92.2000115.9
50T35.6Very low33.9Very low139 Ų139134.2 Ų134.285%0.85375%0.75SS**  -162.2165.955.546.10000115.8
51K33.2Very low33.7Very low181 Ų181136.5 Ų136.579%0.78776%0.755SS**  trans-94.7160.7-176.3-52168.2-177.1171.10113.1
52I31.8Very low33.5Very low168 Ų168135 Ų13586%0.86275%0.75SS**  trans-129.2146.9136.9-66.2-173.9000109
53T30.2Very low33.3Very low111 Ų111131.6 Ų131.668%0.68174%0.744SS**  trans-156.2163.7179.8-56.20000108.6
54S30.9Very low33.1Very low108 Ų108131.7 Ų131.776%0.75574%0.743SS**  trans85.4132.8-176-37.90000113.3
55A30.5Very low32.8Very low90 Ų90130.7 Ų130.774%0.74474%0.738SS**  cis87.6146.325.900000115.2
56S32.6Very low32.3Very low117 Ų117130.6 Ų130.682%0.81874%0.74SS**  trans71.3154.2-169.178.40000115.8
57T32.8Very low32.1Very low133 Ų133131.3 Ų131.382%0.81674%0.738SS**  cis-163154.4-28-86.90000108.3
58L29.2Very low31.8Very low147 Ų147130.9 Ų130.977%0.7774%0.736SS**  trans-60.5147.6175.6-67.4169.3000112.9
59P34.1Very low31.3Very low124 Ų124130.6 Ų130.681%0.80574%0.736SS**  -131.5153.170.21311.5000113.9
60V30.6Very low30.8Very low105 Ų105130.8 Ų130.864%0.63674%0.742SS**  cis89.1111.848.7174.70000114.5
61K30.2Very low30.5Very low171 Ų171128.2 Ų128.274%0.74373%0.73SS**  trans67.4158161.7-74.4178.4155.2-147.30117.7
62E30.2Very low30.4Very low136 Ų136125.8 Ų125.864%0.63673%0.725SS**  cis-149132.1-2.1-119.2155.3-169.400107.2
63S30.6Very low30.3Very low88 Ų88123.6 Ų123.662%0.61572%0.715SS**  82.816983.292.90000116.1
64I29.5Very low30.2Very low142 Ų142125.1 Ų125.173%0.72872%0.719SS**  trans76.597.9173.3-63.9160.9000113.6
65I28.3Very low30.1Very low134 Ų134125.9 Ų125.969%0.68772%0.719SS**  76.8125.485.1-71.4163.5000110.7
66S28.6Very low29.9Very low98 Ų98128.2 Ų128.269%0.68572%0.719SS**  -169.6151.566.3-1.20000115.3
67H31.8Very low29.7Very low156 Ų156132.7 Ų132.772%0.72272%0.719SS**  41.1145.1126.8-58.5-50.3000121.9
68N31.2Very low29.5Very low125 Ų125132.4 Ų132.467%0.66871%0.712SS**  cis-149.7143.40.6-96.4-22.4000108.1
69N27.6Very low29.3Very low137 Ų137130.3 Ų130.373%0.73371%0.709SS**  67.7138.171.9-95.4-1.4000116.1
70T28.1Very low29Very low137 Ų137129.9 Ų129.984%0.8471%0.709SS**  trans63.4145.8170.139.20000117.3
71S27.6Very low28.9Very low85 Ų85129.8 Ų129.859%0.59471%0.713SS**  cis-161.4179.7-7.448.20000109.5
72D32.2Very low28.8Very low130 Ų130128.7 Ų128.770%0.69572%0.715SS**  trans66.3156.1153-63.3-50.2000118.3
73N29Very low29Very low121 Ų121130.7 Ų130.765%0.64772%0.724SS**  cis-165.5157-38.1-131-52.7000106.6
74L27.7Very low29Very low144 Ų144132.5 Ų132.575%0.75473%0.727SS**  trans65.3153.9155.4-63.3165.5000122.2
75T29Very low29.4Very low123 Ų123134.9 Ų134.976%0.75573%0.732SS**  trans65.8104.115041.80000121.9
76N26.5Very low29.7Very low140 Ų140137 Ų13775%0.74974%0.736SS**  4.5130119.4-56.7-13.2000117.8
77Y28.5Very low29.8Very low211 Ų211138.3 Ų138.383%0.82774%0.744SS**  -170.8117.3126.7-107.4-88.8000104.9
78I28.2Very low29.9Very low127 Ų127135.9 Ų135.965%0.65174%0.74SS**  71138.769-65.8166.6000112.7
79S26.6Very low30.1Very low103 Ų103137.7 Ų137.772%0.7275%0.746SS**  trans69.8133.1178-62.10000116
80S26.3Very low30.5Very low114 Ų114139 Ų13980%0.79775%0.746SS**  cis84.284.831.387.60000115.8
81S29.3Very low30.9Very low103 Ų103139.1 Ų139.172%0.7274%0.736SS**  trans-161.1119148.5-167.90000106.2
82L27.7Very low31.4Very low149 Ų149140.8 Ų140.878%0.7874%0.739SS**  66.599.562.2-150.1127.2000112.4
83Q34.7Very low31.4Very low178 Ų178139.6 Ų139.683%0.83274%0.736SS**  trans155.1145.3150.7-89.1175.342.100109.7
84D31Very low31.6Very low126 Ų126140.9 Ų140.967%0.67474%0.742SS**  cis-169.6172.5-32.7-139.7-50.3000108.4
85K38.2Very low31.7Very low191 Ų191140.6 Ų140.683%0.8374%0.74SS**  trans74.7118.9174.9-51140.1-173.4171.30115
86K33.2Very low31.7Very low178 Ų178140.7 Ų140.777%0.77474%0.741SS**  cis121.9100.96.8177.4-171.7175.4-179.60111T88K86-T88 HydrophobicContact CG-CG2 4.1Å
87C32.4Very low31.8Very low127 Ų127138.9 Ų138.986%0.85874%0.739SS**  trans-168.769.2150.8-142.60000110.7
88T33Very low31.9Very low104 Ų104137.5 Ų137.564%0.63874%0.74SS**  44.791.983.766.60000117.5K86K86-T88 HydrophobicContact CG-CG2 4.1Å
89M34.5Very low32Very low163 Ų163136.6 Ų136.680%0.80374%0.743SS**  -148.9117.4124.1-84.3-164.871.600107
90K36.3Very low32.3Very low166 Ų166139.3 Ų139.372%0.72275%0.748SS**  59.713393.4-65.7-178.7171.1-162.50113.2
91Q37.8Very low32.5Very low138 Ų138142.6 Ų142.665%0.64575%0.748SS**  cis-164.4163.1-2.4-103.9167.8-107.600104.2
92D36.7Very low32.8Very low121 Ų121145.5 Ų145.565%0.64775%0.753SS**  cis-166.6-179.48.3-107.2-30000106.1
93T32.7Very low32.9Very low104 Ų104146.4 Ų146.464%0.63875%0.753SS**  cis168122.6-28.6-85.20000107.4
94L32.5Very low32.7Very low148 Ų148145.9 Ų145.978%0.77576%0.756SS**  trans86.7126.6164.1-60.6168.1000124.1
95I30.6Very low32.6Very low139 Ų139149.8 Ų149.871%0.71376%0.761SS**  86.3117.2124.5-73.6175.6000123
96T29.5Very low32.1Very low124 Ų124147.8 Ų147.876%0.76176%0.755SS**  trans75.4141.1143.4-66.50000122.1
97S28.1Very low32.1Very low103 Ų103146.7 Ų146.772%0.7275%0.752SS**  trans-51.5144.1-179.656.10000117.3
98Q31.3Very low31.9Very low181 Ų181145.8 Ų145.885%0.84675%0.747SS**  trans-150.8154.2142.5-84-134.223.600111.9
99P29Very low31.9Very low109 Ų109149.2 Ų149.271%0.70875%0.753SS**  trans-84.3133.3172.633.7-32.1000111.4K101P99-K101 PolarHBondContact O-N 3.41Å
100I34.5Very low32Very low160 Ų160148.5 Ų148.582%0.82175%0.748SS**  trans-76.996.8-179.3-58.1178.8000110.5I102I100-I102 HydrophobicContact CG2-CG1 4.23Å
101K28.6Very low31.7Very low183 Ų183146.2 Ų146.280%0.79675%0.752SS**PPolyproline II helixtrans-73.2130.5150.1-77.9-179.7174.9176.80108.4P99P99-K101 PolarHBondContact O-N 3.41Å
102I36Very low31.5Very low164 Ų164149.9 Ų149.984%0.84176%0.76SS**PPolyproline II helixtrans-85.1129.9160.4-62.4-179.7000107.3I100I100-I102 HydrophobicContact CG2-CG1 4.23Å
103Q30.9Very low31.5Very low167 Ų167149.3 Ų149.378%0.7876%0.755SS**PPolyproline II helixtrans-80.8140.4-163.5-167.773.9-1500112.4
104L30Very low31.8Very low168 Ų168152.9 Ų152.988%0.8876%0.762SS**PPolyproline II helixtrans-65144.7168-68.6164.2000111.1
105R28Very low32Very low208 Ų208152.2 Ų152.279%0.78576%0.755SS**  trans-145.4124159.6-167.1160-170.414920.6111.7
106E28.8Very low32.3Very low149 Ų149152.4 Ų152.470%0.69675%0.751SS**  trans27.2134148-61.1158.3168.600118.8
107E32.3Very low32.7Very low155 Ų155151.6 Ų151.672%0.72474%0.741SS**  cis-135.315822.9-71.3-170.9175.400115.3K109E107-K109 IonicContact OE2-NZ 3.56Å; E107-K109 PolarHBondContact OE2-NZ 3.28Å
108S29.8Very low33Very low107 Ų107152.3 Ų152.375%0.74874%0.737SS**  trans-73.1124.7172.943.20000113.9
109K32.9Very low33.2Very low176 Ų176149.5 Ų149.577%0.76573%0.727SS**  trans-153-13.7162.4-104.1129.5-162.2166.40120E107E107-K109 IonicContact OE2-NZ 3.56Å; E107-K109 PolarHBondContact OE2-NZ 3.28Å
110E35.3Very low33.5Very low148 Ų148150.2 Ų150.269%0.69272%0.722SS**  trans-110.914.6-174.2-153.195-113.500116.2R112 I113E110-R112 PolarHBondContact O-N 2.6Å; E110-I113 HydrophobicContact CG-CD1 4.44Å; E110-I113 VanDerWaalsContact OE1-CD1 3.3Å; E110-I113 WeakPolarHBondContact OE1-CD1 3.31Å
111C30.3Very low33.5Very low119 Ų119149 Ų14980%0.80472%0.718SS**THydrogen-bonded Turntrans-7320.3175.5-66.70000114.7
112R34.1Very low33.5Very low215 Ų215143.2 Ų143.281%0.81170%0.704SS**THydrogen-bonded Turntrans-114.3-11.8-175.8-85.4-177.6167.7146.5-1.4116E110E110-R112 PolarHBondContact O-N 2.6Å
113I37Very low33.3Very low109 Ų109140 Ų14056%0.55970%0.696SS**SBendtrans-86.1-40.6178-61.2-177.8000111.5E110 Q115 K116 L117E110-I113 HydrophobicContact CG-CD1 4.44Å; E110-I113 VanDerWaalsContact OE1-CD1 3.3Å; E110-I113 WeakPolarHBondContact OE1-CD1 3.31Å; I113-Q115 PolarHBondContact O-N 3.1Å; I113-K116 WeakPolarHBondContact O-CB 3.3Å; I113-K116 PolarHBondContact O-N 3.44Å; I113-L117 PolarHBondContact O-N 3.14Å
114K39.2Very low33.4Very low178 Ų178140.5 Ų140.577%0.77470%0.702SS**Hα-helixtrans-62.1-41.7177.5-77.1-176173.2-178.50112.8K116 L117 D118K114-K116 PolarHBondContact O-N 3.24Å; K114-L117 PolarHBondContact O-N 3.49Å; K114-D118 PolarHBondContact O-N 3.13Å
115Q35.3Very low33.2Very low134 Ų134137 Ų13763%0.62669%0.692SS**Hα-helixtrans-66.9-15.4175-158.6173.524.600113.6I113I113-Q115 PolarHBondContact O-N 3.1Å
116K37.2Very low33.2Very low144 Ų144135.6 Ų135.663%0.62669%0.694SS**Hα-helixtrans-91-18.7177.4-158.4176.2-178.5-1780113.2I113 K114 M120I113-K116 WeakPolarHBondContact O-CB 3.3Å; I113-K116 PolarHBondContact O-N 3.44Å; K114-K116 PolarHBondContact O-N 3.24Å; K116-M120 HydrophobicContact CG-CE 4.31Å; K116-M120 VanDerWaalsContact O-CE 3.27Å; K116-M120 WeakPolarHBondContact O-CE 3.32Å
117L38.2Very low33.4Very low106 Ų106138 Ų13856%0.55571%0.705SS**Hα-helixtrans-79.5-40.5173.6-142.670.9000110.9I113 K114 L119 M120 N121I113-L117 PolarHBondContact O-N 3.14Å; K114-L117 PolarHBondContact O-N 3.49Å; L117-L119 PolarHBondContact O-N 3.36Å; L117-M120 PolarHBondContact O-N 3.27Å; L117-M120 VanDerWaalsContact O-N 3.08Å; L117-N121 PolarHBondContact O-N 2.89Å; L117-N121 PolarHBondContact O-ND2 2.74Å
118D34.5Very low33.1Very low119 Ų119136.7 Ų136.764%0.63670%0.703SS**THydrogen-bonded Turntrans-70.7-11174.7-58.8-29.9000113.1K114K114-D118 PolarHBondContact O-N 3.13Å
119L36.4Very low33Very low121 Ų121141.3 Ų141.363%0.63471%0.706SS**THydrogen-bonded Turntrans-101.14.9170.9-82.4170.7000114.4L117L117-L119 PolarHBondContact O-N 3.36Å
120M34.9Very low32.7Very low124 Ų124139 Ų13961%0.61170%0.702SS**THydrogen-bonded Turntrans-108.7-23.2167.5-88.8-179.9-74.500113.1K116 L117 A122K116-M120 HydrophobicContact CG-CE 4.31Å; K116-M120 VanDerWaalsContact O-CE 3.27Å; K116-M120 WeakPolarHBondContact O-CE 3.32Å; L117-M120 PolarHBondContact O-N 3.27Å; L117-M120 VanDerWaalsContact O-N 3.08Å; M120-A122 PolarHBondContact O-N 3.32Å
121N33.2Very low32.5Very low136 Ų136142 Ų14273%0.72771%0.712SS**SBendtrans-84.510.6175.2-64.6-41.4000113.7L117L117-N121 PolarHBondContact O-N 2.89Å; L117-N121 PolarHBondContact O-ND2 2.74Å
122A29.9Very low32.3Very low61 Ų61140.5 Ų140.550%0.50470%0.703SS.*SBendtrans-12431.1-172.900000113.1M120M120-A122 PolarHBondContact O-N 3.32Å
123S30.6Very low32.2Very low96 Ų96138.2 Ų138.267%0.67170%0.702SS**SBendtrans-143.224.1-175.3-550000115.2
124I33.4Very low31.6Very low178 Ų178140.5 Ų140.591%0.91371%0.708SS**SBendtrans-12965.2164-50-177.9000108.7
125S26.2Very low31.2Very low95 Ų95139.1 Ų139.166%0.66471%0.708SS**  trans-153.263.2176.762.50000111.6
126E27.7Very low30.8Very low178 Ų178139.5 Ų139.583%0.83271%0.71SS**  trans-168.785.8162.1-115.9168.8-142.700112.6
127Q32.6Very low30.3Very low200 Ų200140.1 Ų140.194%0.93572%0.72SS**  trans-143.391139.5-80.4-150-12.700109
128N25.7Very low29.9Very low127 Ų127140.9 Ų140.968%0.67973%0.734SS**  trans-63.3148.2156.9-66.5-65.1000108.7
129Y27.7Very low29.8Very low204 Ų204146.5 Ų146.580%0.875%0.746SS**  -178.8108.9105.2-107-83.1000112.4
130N26.7Very low29.8Very low127 Ų127145.1 Ų145.168%0.67975%0.745SS**  trans34.4113.3141.9-55.2-8000119.9
131K32.5Very low29.6Very low210 Ų210147.1 Ų147.191%0.91375%0.752SS**  -148.588.4119.6-136.1166.8-170.8171.80114.2
132S26.3Very low29.4Very low89 Ų89147.2 Ų147.262%0.62275%0.751SS**  trans-77.8148.4152.849.30000110.1
133H30.1Very low29.2Very low167 Ų167149 Ų14977%0.77376%0.759SS**  trans159122.8135.8-96.1-95.1000107.9
134F26.1Very low29Very low156 Ų156152.7 Ų152.768%0.68477%0.768SS**  cis82.194.136-158.7-62.5000113.3Q136F134-Q136 HydrophobicContact CD1-CG 4.42Å; F134-Q136 HydrophobicContact CE1-CG 4.16Å
135L29.4Very low29.3Very low149 Ų149149.6 Ų149.678%0.7876%0.762SS**  trans-142.4109.9147-76-177000106.5
136Q27.1Very low29.7Very low142 Ų142150 Ų15066%0.66476%0.762SS**  70.4109.188.5-71.1-178.42.600112.6F134F134-Q136 HydrophobicContact CD1-CG 4.42Å; F134-Q136 HydrophobicContact CE1-CG 4.16Å
137N26.4Very low29.7Very low158 Ų158152.7 Ų152.785%0.84577%0.765SS**  68.192.469.8-81.6-14000114.6
138S30.3Very low29.7Very low121 Ų121149 Ų14985%0.84676%0.76SS**  trans-14597.3148.142.60000111.2
139R33.3Very low30.4Very low238 Ų238148.8 Ų148.890%0.89877%0.765SS**  trans-50159.8144.4-87.7-177.2172.9-173.8-0.9108.8
140P36.4Very low31.1Very low92 Ų92144.3 Ų144.360%0.59776%0.761SS**  cis-159.2-17542.246.7-26.1000118.9
141H30.5Very low31.4Very low165 Ų165146.5 Ų146.576%0.76477%0.773SS**  trans66.1164143.4-67.1-23.3000119.2
142I27.9Very low31.4Very low138 Ų138140 Ų14071%0.70877%0.765SS**  cis-161164-32.1-111.1168.1000107.2
143C26.5Very low31.7Very low100 Ų100140.7 Ų140.768%0.67678%0.777SS**  trans71.4109.4159.9-156.40000120.3
144M26.8Very low31.9Very low172 Ų172137.5 Ų137.585%0.84778%0.779SS**  trans47.2137.5130.1-51.3174.972.600122.6
145S38.1Very low32.3Very low113 Ų113135.8 Ų135.879%0.7978%0.781SS**  trans-55.4158.3164.8-31.70000113.1
146P36.2Very low32.6Very low104 Ų104135.7 Ų135.768%0.67578%0.776SS**  -151.9160.997.239.6-23.6000117.4
147R27.5Very low32.9Very low234 Ų234135.6 Ų135.688%0.88378%0.776SS**  trans65130.8148.8-68.2159.3-171.5-149.30.1120.3
148C33.2Very low33.3Very low124 Ų124134.4 Ų134.484%0.83877%0.768SS**  trans-73.2158.8152.6-57.10000110.3
149P40.4Very low33.4Very low122 Ų122133.6 Ų133.679%0.79276%0.763SS**  -138.2154.1120.838.1-28.4000113.9
150P40.5Very low33.6Very low110 Ų110127.5 Ų127.571%0.71475%0.754SS**  trans-95.5155.7163.437.8-32.1000112.2
151D33.3Very low33.5Very low172 Ų172127.8 Ų127.892%0.9276%0.758SS**  trans172.1161.4140.3-97.1-22.7000112.8
152G32.7Very low33.4Very low73 Ų73127.1 Ų127.175%0.75376%0.76SS**  trans78.4102.2166.700000116.1
153A33.7Very low33.6Very low104 Ų104129.2 Ų129.286%0.8677%0.772SS**  cis81.492.427.500000115.9
154A34.5Very low33.8Very low101 Ų101128.7 Ų128.784%0.83577%0.769SS**  trans-177.2148.9165.700000110.2
155V33.9Very low34.1Very low119 Ų119129.2 Ų129.272%0.72177%0.767SS**  cis-168.6145-24.9104.60000109.6
156H35.7Very low33.8Very low147 Ų147128.7 Ų128.768%0.68176%0.763SS**  trans68.9156.1157.1-72.8-150000119.2
157E32.2Very low33.6Very low141 Ų141130.3 Ų130.366%0.65977%0.766SS**  cis-161.2168.3-1.3-122.5169.2-17500115.6
158I36.7Very low33.7Very low133 Ų133128.4 Ų128.468%0.68276%0.764SS**  trans62.289.6149.4-63.4156.2000120.6
159S32Very low33.5Very low104 Ų104127.7 Ų127.773%0.72776%0.761SS**  26.3168.198.3-530000122
160P37.9Very low33Very low109 Ų109128.1 Ų128.171%0.70876%0.761SS**  cis-144.8-167.8-47.942.6-24.6000114.7
161S33.7Very low32.5Very low98 Ų98128.8 Ų128.869%0.68576%0.757SS**  trans91.5117.8140.271.60000123.7
162N28.1Very low32.3Very low152 Ų152130.3 Ų130.381%0.81375%0.751SS**  trans30120.2131.9-56.4-24.6000121.4
163L32.7Very low32.2Very low181 Ų181134.2 Ų134.295%0.94875%0.75SS**  -147.7-178.6124.3-139.773.2000111.4
164S30.4Very low32Very low89 Ų89135 Ų13562%0.62274%0.739SS**  trans-136.3165.4-160.964.20000114.3
165K33.4Very low32Very low183 Ų183138.4 Ų138.480%0.79674%0.743SS**  trans91.9116.6160.8-59165.7-176.9175.80119.3
166S30.5Very low31.9Very low102 Ų102140.4 Ų140.471%0.71375%0.748SS**  82.5151.2126.671.80000121.6
167N31.7Very low31.7Very low138 Ų138140.7 Ų140.774%0.73876%0.755SS**  trans81.878.8159.7-58.1-24.9000120.1
168K29.6Very low31.7Very low195 Ų195144.8 Ų144.885%0.84876%0.764SS**  53145.9120.7-68.1-178.1174.6-178.20121.8
169S29Very low31.6Very low109 Ų109149.6 Ų149.676%0.76278%0.775SS**  trans88.6122.2153.887.60000115.5
170V29.9Very low31.7Very low130 Ų130152.5 Ų152.579%0.78878%0.782SS**  83.4122.485.1164.10000111.2
171I30Very low31.5Very low125 Ų125153.3 Ų153.364%0.64178%0.779SS**  cis-120.4-175.80.74-177.6000109.3
172Y29.3Very low31.5Very low204 Ų204153.7 Ų153.780%0.877%0.772SS**  cis-145.3161.631.2-95.4-87.4000113.4
173E31.1Very low31.9Very low154 Ų154150 Ų15072%0.7275%0.749SS**  trans-124-179.9152.5-70.5-166.4146.300109.2
174N29.5Very low32.1Very low120 Ų120145.5 Ų145.564%0.64272%0.723SS**  trans69.696.7150.8-57.5-36000118.8
175L33.7Very low32.3Very low174 Ų174146.1 Ų146.191%0.91172%0.72SS**SBendtrans-128.712.3154.6-96.1177.1000114
176I32.6Very low32.3Very low161 Ų161142.6 Ų142.683%0.82671%0.71SS**SBendtrans-117.872168.1-52.9-179.9000108.3
177D30.9Very low32.4Very low153 Ų153145.7 Ų145.782%0.81871%0.712SS**  trans-170.476.5155.6-102.9-19.8000109.3
178R32.7Very low32.2Very low227 Ų227145.6 Ų145.686%0.85771%0.711SS**  trans-161.253.2167.6-145.4-176.2-64.4177.91.3116.1
179Y33.9Very low32.2Very low233 Ų233141.3 Ų141.391%0.91470%0.701SS**SBendtrans-151.6128.2151.6-93.9-68.7000109.6
180L34.8Very low32.3Very low166 Ų166145.2 Ų145.287%0.86971%0.705SS**SBendtrans79.484.4-174.8-53.3172.6000116.5
181L34.9Very low32.1Very low126 Ų126147.3 Ų147.366%0.6671%0.706SS**  167.7159.9128.8-88.4159.7000110E183 T298L181-E183 WeakPolarHBondContact CD2-OE2 3.37Å; L181-T298 HydrophobicContact CB-CG2 3.94Å; L181-T298 HydrophobicContact CD2-CG2 4.03Å
182M33.5Very low32.2Very low106 Ų106149.6 Ų149.652%0.52272%0.718SS.*  trans70.997.8-155-59.7-176.569.300113T296 D297 T298M182-T296 HydrophobicContact CE-CG2 4.32Å; M182-T296 HydrophobicContact SD-CG2 3.99Å; M182-D297 HydrophobicContact CE-CB 3.67Å; M182-D297 HydrophobicContact CG-CB 4.37Å; M182-D297 HydrophobicContact SD-CB 4.07Å; M182-T298 HydrophobicContact CB-CG2 4.33Å; M182-T298 HydrophobicContact CG-CG2 3.77Å
183E36.4Very low32Very low74 Ų74145.1 Ų145.135%0.34672%0.717SS.*  cis76.1112.97.8-96.7-178.9-176.700118.1L181 T298 N299 T300L181-E183 WeakPolarHBondContact CD2-OE2 3.37Å; E183-T298 HydrophobicContact CB-CG2 4.17Å; E183-N299 VanDerWaalsContact CB-O 3.3Å; E183-N299 WeakPolarHBondContact CB-O 3.17Å; E183-N299 VanDerWaalsContact CD-O 3.31Å; E183-N299 WeakPolarHBondContact CG-O 3.01Å; E183-T300 VanDerWaalsContact CD-CG2 3.43Å; E183-T300 HydrophobicContact CG-CG2 3.78Å; E183-T300 WeakPolarHBondContact OE1-CB 3.36Å; E183-T300 WeakPolarHBondContact OE1-CG2 3.37Å; E183-T300 PolarHBondContact OE1-OG1 2.97Å; E183-T300 PolarHBondContact OE2-OG1 2.85Å
184H37Very low32.2Very low86 Ų86142.6 Ų142.640%0.39871%0.713SS.*  trans66.6145.9177.4-76.7-123.1000116.2N299H184-N299 HydrophobicContact CB-CB 3.94Å; H184-N299 PolarHBondContact CD2-O 3.45Å; H184-N299 VanDerWaalsContact CG-CB 3.5Å; H184-N299 PolarHBondContact NE2-O 3.39Å
185D34.1Very low32.3Very low103 Ų103145.9 Ų145.955%0.55173%0.725SS**  cis-152.6160.53.8-132.4-27.2000115.2
186N32.9Very low32Very low109 Ų109142 Ų14258%0.58371%0.712SS**  trans56.6116.3152.5-66.3-50.6000123.7
187H32.1Very low32Very low166 Ų166142.8 Ų142.877%0.76972%0.717SS**  61.6152.4126.2-64.7-50.8000121.4
188L28.6Very low31.9Very low136 Ų136140.1 Ų140.171%0.71271%0.706SS**  cis-149.2159.83.4-156.164.9000111.5
189T28.8Very low31.9Very low105 Ų105135.6 Ų135.664%0.64470%0.704SS**  trans-9.6143.8162.662.50000118.9
190K31.8Very low31.6Very low191 Ų191129.7 Ų129.783%0.8369%0.692SS**  -161.9171.971.8-94.7-172.9-179.1178.30115.8
191E26.3Very low31.5Very low174 Ų174127.8 Ų127.881%0.81369%0.692SS**  trans-52.6146.7177.4-53.2160.811200114.7
192I30.6Very low31.2Very low173 Ų173126.9 Ų126.989%0.88769%0.691SS**  -156.8142.3128.2-100.7151.8000108.1
193S26.4Very low30.9Very low111 Ų111127.7 Ų127.778%0.77670%0.702SS**  trans-97.4175.2-177.8-127.80000111.7
194P35.4Very low30.7Very low100 Ų100131.1 Ų131.165%0.64972%0.723SS**  trans-87.1155.8-137.535.5-39.7000114.7
195Q30.9Very low30.3Very low190 Ų190131.8 Ų131.889%0.88874%0.737SS**  trans-170.7140.9136.8-107.6146.8101.600114.6
196S28.6Very low30.1Very low93 Ų93132.8 Ų132.865%0.6575%0.746SS**  trans35.6103.6138.9178.80000119.6V198S196-V198 WeakPolarHBondContact OG-CG2 3.39Å
197L31.2Very low29.9Very low176 Ų176134 Ų13492%0.92176%0.758SS**  trans-109.7109.1137.1-115.3170.9000108.2
198V29.4Very low29.8Very low97 Ų97132.2 Ų132.259%0.58876%0.759SS**  trans-107.6123.5-177.9165.70000109.1S196 T200S196-V198 WeakPolarHBondContact OG-CG2 3.39Å; V198-T200 HydrophobicContact CG1-CG2 3.69Å
199T32Very low30Very low132 Ų132131 Ų13181%0.8176%0.757SS**  trans-109.292165.7-54.50000108.5
200T28.3Very low30.4Very low110 Ų110132.3 Ų132.368%0.67577%0.768SS**  trans-81118.1173.836.40000111.5V198V198-T200 HydrophobicContact CG1-CG2 3.69Å
201C31.7Very low30.5Very low126 Ų126128.2 Ų128.285%0.85176%0.759SS**  trans-111.3113.9155.7-63.90000107.5
202T29.7Very low30.8Very low106 Ų106130.1 Ų130.165%0.6577%0.765SS**  trans-103.3152.5-168.350.20000113
203V27.4Very low30.8Very low124 Ų124128 Ų12875%0.75275%0.754SS**  trans58.4130.2162.7-61.30000116.5
204N31.8Very low31.1Very low146 Ų146130.8 Ų130.878%0.78176%0.76SS**  -153.9164.551.9-95.2-55.6000114.9
205S28.2Very low30.9Very low99 Ų99132.8 Ų132.869%0.69277%0.765SS**  trans-36.4148.2165.954.10000118.4
206V30.6Very low31.1Very low124 Ų124129.1 Ų129.175%0.75276%0.761SS**  -174.4147.199.6148.70000111.1
207T27.3Very low31.4Very low134 Ų134129.4 Ų129.482%0.82276%0.763SS**  trans-89.9127.7176.4-50.40000111.8
208T31.6Very low31.5Very low130 Ų130127.7 Ų127.780%0.79875%0.754SS**  trans-147134.9161.242.30000113
209T32.3Very low31.6Very low110 Ų110128.2 Ų128.268%0.67576%0.758SS**  trans-92.8144.9168.246.20000111.1T211T209-T211 PolarHBondContact O-N 3.34Å; T209-T211 VanDerWaalsContact O-N 3.15Å
210P37.5Very low31.7Very low132 Ų132128.6 Ų128.686%0.85776%0.755SS**  trans-81.889.8172.133-33000111.2
211T32.9Very low31.9Very low105 Ų105129.9 Ų129.964%0.64476%0.758SS**  trans-98.6122.9161.746.20000109.3T209T209-T211 PolarHBondContact O-N 3.34Å; T209-T211 VanDerWaalsContact O-N 3.15Å
212F32.2Very low32.1Very low215 Ų215131.9 Ų131.994%0.94375%0.754SS**  trans-65143.9169.6-91.1-98.1000110.4
213I32.1Very low32.4Very low128 Ų128131.7 Ų131.766%0.65675%0.753SS**  trans-109.7123.8-171.6-64.3168.6000109.3
214D31.6Very low32.8Very low169 Ų169132.9 Ų132.990%0.90476%0.755SS**  trans-93.5140.2155.3-85.5-47.4000109.5
215N31.3Very low33.1Very low142 Ų142131.4 Ų131.476%0.75975%0.747SS**  trans-106.2125.3-176.8-72.3-58.1000111.7
216S36.2Very low33.5Very low113 Ų113134.2 Ų134.279%0.7975%0.754SS**  trans-178.1110.1136.128.50000115.3
217S34.7Very low33.8Very low99 Ų99132.1 Ų132.169%0.69275%0.75SS**  trans45132.2133.962.20000124
218N32.6Very low34.3Very low140 Ų140134.7 Ų134.775%0.74975%0.75SS**  trans73.7106.7142.7-59.74.2000118.4
219T31Very low34.5Very low108 Ų108135 Ų13566%0.66375%0.747SS**  71.2105.264.468.30000115.8
220N35.3Very low34.6Very low141 Ų141137 Ų13775%0.75475%0.752SS**  171.5146.2112.3-86.2-35.4000113.9
221N32.4Very low34.5Very low136 Ų136139.5 Ų139.573%0.72775%0.754SS**  trans-0.9145.9151.2-39.9-35.7000117.9
222H34.9Very low34.5Very low168 Ų168139.1 Ų139.178%0.77875%0.752SS**  -170.7149.658.8-145.1-98.9000113.8
223V36.8Very low34.6Very low103 Ų103136.2 Ų136.262%0.62474%0.741SS**  trans7.1126.1152.7179.80000120
224N36.3Very low34.3Very low149 Ų149141 Ų14180%0.79775%0.751SS**  -161.9166.4104.2-138-20.2000115.3
225N36.8Very low34.4Very low115 Ų115139.1 Ų139.162%0.61575%0.745SS**  trans-99.1174.7-160-58.8-86.4000114.9
226N36.3Very low34.3Very low157 Ų157137.4 Ų137.484%0.8474%0.744SS**  trans77.4145.6157.4-55.4-33.2000117.7
227A37.5Very low34.2Very low80 Ų80137.3 Ų137.366%0.66174%0.739SS**  cis-168.4171.2-19.700000109.1
228K38.2Very low34.1Very low188 Ų188141 Ų14182%0.81775%0.745SS**  trans73.1138.8167.9-61.2-169.9178.7-177.50116.6
229D35.4Very low34Very low137 Ų137138.5 Ų138.573%0.73374%0.739SS**  cis-137147.5-7.9-91.1-38.5000111.4
230I34Very low34Very low153 Ų153139.1 Ų139.179%0.78574%0.742SS**  trans-120128.4168.6-65.7169.9000106.5
231M35.4Very low33.9Very low184 Ų184139.1 Ų139.191%0.90674%0.738SS**  trans-144.4109.6163.2-156.5165.5-68.300111.9
232T33.6Very low33.8Very low97 Ų97137.5 Ų137.560%0.59573%0.733SS**  trans-93.3169.1167.542.80000110.8
233H34Very low33.7Very low154 Ų154135.5 Ų135.571%0.71373%0.728SS**  trans88.5110.6163.5-52.1-72.3000120.6
234R27.1Very low33.4Very low229 Ų229138.7 Ų138.786%0.86473%0.734SS**  70.3179128.7-72.9-177.8164151.4-4.4118.4
235V31.9Very low33.1Very low128 Ų128137.5 Ų137.578%0.77673%0.727SS**  trans74.397.4-173.5-168.60000110.4
236S30Very low32.9Very low106 Ų106138 Ų13874%0.74173%0.729SS**  66.1137.988-52.50000111.6
237T34.3Very low32.6Very low111 Ų111136.8 Ų136.868%0.68172%0.72SS**  cis-140.2156.739.540.10000112.5
238Q32.6Very low32.2Very low176 Ų176137.1 Ų137.182%0.82271%0.714SS**  48.5143.9101.7-38.5170.6-6.300115
239S30.2Very low31.8Very low89 Ų89131.8 Ų131.862%0.62270%0.697SS**  cis-158.3141.321.154.20000113.2
240T30.6Very low31.4Very low120 Ų120128.8 Ų128.874%0.73668%0.683SS**  trans60.4170.2140.260.50000118.6
241Q33.9Very low31.1Very low142 Ų142126 Ų12666%0.66468%0.677SS**  cis-153.5128.213.2-170.364.726.900108
242T31Very low30.8Very low102 Ų102123.2 Ų123.263%0.62667%0.671SS**  trans57.8152.4148.761.60000121
243N33Very low30.5Very low125 Ų125123.7 Ų123.767%0.66868%0.678SS**  cis-156.9165.2-7.4-108.8-5.4000110.5
244F29Very low30.2Very low170 Ų170123.2 Ų123.275%0.74668%0.68SS**  trans-2.6150141.7-57.6-79000118.4
245D31.4Very low30.2Very low124 Ų124118.8 Ų118.866%0.66367%0.673SS**  cis-166.7175.327.4-137.1-22000114.5
246I31.4Very low30.1Very low125 Ų125120 Ų12064%0.64167%0.67SS**  trans61.9136.2146.5-72.6162.2000119
247M29.6Very low30Very low133 Ų133120.5 Ų120.566%0.65566%0.664SS**  cis-154.7159.5-15.2-121-167.4-69.600110.8V249M247-V249 HydrophobicContact SD-CG2 4.49Å
248T29.1Very low29.7Very low87 Ų87119.6 Ų119.653%0.53466%0.662SS.*  trans-107.2138.8159.6-57.30000108.7G22 T24 T250G22-T248 VanDerWaalsContact O-CG2 3.31Å; G22-T248 WeakPolarHBondContact O-CG2 3.44Å; T24-T248 WeakPolarHBondContact OG1-CG2 3.34Å; T248-T250 WeakPolarHBondContact CG2-OG1 3.33Å
249V30.5Very low29.5Very low76 Ų76119 Ų11946%0.46166%0.664SS.*  trans-13055.7179-164.70000110.5T24 M247T24-V249 VanDerWaalsContact CB-C 3.42Å; T24-V249 WeakPolarHBondContact CB-O 3.28Å; T24-V249 WeakPolarHBondContact CG2-O 3.45Å; T24-V249 WeakPolarHBondContact OG1-CA 3.31Å; T24-V249 PolarHBondContact OG1-N 2.95Å; T24-V249 PolarHBondContact OG1-O 3.06Å; M247-V249 HydrophobicContact SD-CG2 4.49Å
250T27.8Very low29.5Very low74 Ų74118.7 Ų118.745%0.45466%0.662SS.*  trans-61165.2168.6-44.70000109T24 T248T24-T250 PolarHBondContact OG1-N 3.31Å; T248-T250 WeakPolarHBondContact CG2-OG1 3.33Å
251S27.7Very low29.4Very low93 Ų93119 Ų11965%0.6566%0.664SS**  trans76.8121.9165.1820000115
252T27.3Very low29.2Very low127 Ų127117 Ų11778%0.77966%0.664SS**  88.4100.595.357.40000114.9
253S28.2Very low29.1Very low106 Ų106118.6 Ų118.674%0.74167%0.669SS**  trans-145.2132.5142.5560000105.7
254L28.2Very low29.2Very low144 Ų144117.4 Ų117.475%0.75467%0.67SS**  53.7129.859.9-52.7166.4000108.2
255L26.8Very low29.3Very low136 Ų136115.4 Ų115.471%0.71267%0.667SS**  cis171.6164.55.9-115.9175.9000101.5
256H29Very low29.2Very low155 Ų155115.6 Ų115.672%0.71867%0.668SS**  trans64.9153.7177.4-71.6-126.5000114.7
257D28.7Very low29Very low116 Ų116118.4 Ų118.462%0.6268%0.676SS**  cis-145.1149.4-4.1-125.9-31.7000113.1
258S27.9Very low29Very low91 Ų91117.2 Ų117.264%0.63668%0.681SS**  25.1118.1129.5-58.60000117.9
259L28.4Very low29.1Very low164 Ų164120.5 Ų120.586%0.85969%0.69SS**  -168.6170.957.3-12767.3000107.8
260S30Very low29Very low83 Ų83123.1 Ų123.158%0.5870%0.701SS**  cis-162.3145.62.651.80000110.3
261T29Very low29Very low127 Ų127125 Ų12578%0.77971%0.712SS**  trans51.2138.2146.155.50000121
262C29.2Very low29.2Very low98 Ų98125 Ų12566%0.66271%0.712SS**  cis-165.8145.81.744.80000111
263D29.8Very low29.3Very low136 Ų136127.1 Ų127.173%0.72771%0.713SS**  trans39.3141.8132.3-41.1-44.1000120.2
264S35.1Very low29.5Very low100 Ų100126.3 Ų126.370%0.69971%0.707SS**  cis-152.8149.133.7-61.60000109.8
265N29.5Very low29.5Very low128 Ų128124.9 Ų124.968%0.68471%0.705SS**  45.3134.778.9-53.6-46.7000113.5
266N30Very low29.6Very low128 Ų128125.4 Ų125.468%0.68471%0.708SS**  cis-154.4152.77.4-106.4-35.9000107.6
267K27.9Very low29.7Very low184 Ų184122.6 Ų122.680%0.871%0.706SS**  72.1143.862.4-160.7-177-179.1-179.90113.6
268S29.2Very low29.7Very low109 Ų109127.4 Ų127.476%0.76272%0.717SS**  trans73.7152.6-171.877.70000114.6
269H31.3Very low29.9Very low156 Ų156130.9 Ų130.972%0.72273%0.728SS**  cis-144.7153.6-7.4-127.2-151.2000106.9
270L27.2Very low30Very low131 Ų131128 Ų12869%0.68672%0.721SS**  41138.892.5-55.6-178.6000114.4
271T29.2Very low30.4Very low112 Ų112129.6 Ų129.669%0.68773%0.729SS**  cis-164.1178.120.3-11.40000110.4
272S30.8Very low30.7Very low93 Ų93128.5 Ų128.565%0.6573%0.727SS**  trans54.3145.6142.163.70000121.6
273E30.8Very low31.1Very low173 Ų173132.5 Ų132.581%0.80873%0.733SS**  cis-173.3164.6-12.5-117161.8164.500110
274S30.5Very low31.4Very low88 Ų88134.6 Ų134.662%0.61574%0.736SS**  trans39.6107.4143.578.40000121
275T29.1Very low31.4Very low115 Ų115135.8 Ų135.871%0.70673%0.733SS**  84.115694.262.20000116.9
276N29.5Very low31.7Very low147 Ų147135 Ų13579%0.78673%0.733SS**  trans73.7146.9168.2-56.7-29.9000115
277S31.1Very low32Very low96 Ų96134.7 Ų134.767%0.67173%0.731SS**  cis-168.4149.3-6.7380000113.9
278Y28.7Very low32.3Very low217 Ų217133.1 Ų133.185%0.85173%0.73SS**  trans59.5138.3143.7-77.4-61.9000124.8
279L31Very low32.7Very low164 Ų164133.1 Ų133.186%0.85973%0.727SS**  trans85.1126.4138.7-79.8162000122.4
280S31.4Very low32.9Very low104 Ų104132.7 Ų132.773%0.72774%0.736SS**  trans-91.5170.8173.2-31.40000112.8
281P39Very low33.3Very low115 Ų115135.1 Ų135.175%0.74774%0.743SS**  -135.9144.6105.315.26.5000113
282S34.7Very low33.8Very low105 Ų105134.4 Ų134.473%0.73474%0.741SS**  60.6139.178-49.40000114.3
283K37.7Very low33.9Very low181 Ų181139.1 Ų139.179%0.78775%0.752SS**  cis-165.4148.944.7-74.9176.6178.4164.80113.8
284K36.4Very low34Very low180 Ų180136.1 Ų136.178%0.78375%0.75SS**  trans70.4148.3132.5-76.1-168.8173.2-161.90121.7
285I34.8Very low34.3Very low126 Ų126136.8 Ų136.865%0.64675%0.752SS**  cis-170.7154.3-16.4-135.4178.1000112
286V36.1Very low34.6Very low111 Ų111135.8 Ų135.867%0.67375%0.746SS**  trans61139.8149.1158.40000119.2
287N34.9Very low34.8Very low122 Ų122134.2 Ų134.265%0.65274%0.738SS**  cis-140.5144.8-0-106.3-6.6000107.7
288I35.7Very low35Very low150 Ų150133.2 Ų133.277%0.76973%0.728SS**  77.8133.761.3-71.2176.5000112.8
289P37.5Very low35.4Very low110 Ų110127.6 Ų127.671%0.71471%0.713SS**  -132.7-167.5-127.445.4-31.5000114.7
290T35Very low35.8Very low146 Ų146123.7 Ų123.790%0.89670%0.696SS**  trans-145.5152.2143-61.70000109.6
291Q34.8Very low36Very low182 Ų182129.7 Ų129.785%0.8570%0.703SS**  trans-93.1167.1-168.6-103.2-165.5-26.200116.1
292P40.1Very low36.1Very low98 Ų98133.2 Ų133.264%0.63671%0.707SS**  trans-104.2-174.4-179.242.9-36.1000113.6
293H32.7Very low37.1Very low192 Ų192133.3 Ų133.389%0.88970%0.704SS**  trans-126.2163.7152.1-75.4-68.9000111.1
294S32.9Very low38Very low109 Ų109130.2 Ų130.276%0.76270%0.703SS**  trans-125-157-154.755.10000110.7
295P37.9Very low39.1Very low102 Ų102127.2 Ų127.266%0.66270%0.702SS**  cis-144.9-174.40.837.3-13.1000118.7
296T34.8Very low40.2Very low94 Ų94126.9 Ų126.958%0.57771%0.708SS**  trans64.4102147.640.90000122.7M182M182-T296 HydrophobicContact CE-CG2 4.32Å; M182-T296 HydrophobicContact SD-CG2 3.99Å
297D33.3Very low41.6Very low114 Ų114127.7 Ų127.761%0.6172%0.715SS**  45.5120.1105.9-48.7-26.8000122M182M182-D297 HydrophobicContact CE-CB 3.67Å; M182-D297 HydrophobicContact CG-CB 4.37Å; M182-D297 HydrophobicContact SD-CB 4.07Å
298T35.4Very low42.8Very low75 Ų75127 Ų12746%0.4672%0.716SS.*  -156.7145.3126.513.10000111.2L181 M182 E183L181-T298 HydrophobicContact CB-CG2 3.94Å; L181-T298 HydrophobicContact CD2-CG2 4.03Å; M182-T298 HydrophobicContact CB-CG2 4.33Å; M182-T298 HydrophobicContact CG-CG2 3.77Å; E183-T298 HydrophobicContact CB-CG2 4.17Å
299N37.1Very low43.4Very low99 Ų99125.8 Ų125.853%0.52972%0.718SS.*  trans-124.9127.5165.7-76.8-42.7000108.4E183 H184E183-N299 VanDerWaalsContact CB-O 3.3Å; E183-N299 WeakPolarHBondContact CB-O 3.17Å; E183-N299 VanDerWaalsContact CD-O 3.31Å; E183-N299 WeakPolarHBondContact CG-O 3.01Å; H184-N299 HydrophobicContact CB-CB 3.94Å; H184-N299 PolarHBondContact CD2-O 3.45Å; H184-N299 VanDerWaalsContact CG-CB 3.5Å; H184-N299 PolarHBondContact NE2-O 3.39Å
300T40Very low43.6Very low83 Ų83127.9 Ų127.951%0.50972%0.722SS.*  -137.3147.9126.5360000112.8E183 F302E183-T300 VanDerWaalsContact CD-CG2 3.43Å; E183-T300 HydrophobicContact CG-CG2 3.78Å; E183-T300 WeakPolarHBondContact OE1-CB 3.36Å; E183-T300 WeakPolarHBondContact OE1-CG2 3.37Å; E183-T300 PolarHBondContact OE1-OG1 2.97Å; E183-T300 PolarHBondContact OE2-OG1 2.85Å; T300-F302 PolarHBondContact O-N 3.04Å; T300-F302 VanDerWaalsContact O-N 3.07Å
301W36.2Very low43.7Very low230 Ų230131.7 Ų131.787%0.87172%0.72SS**  trans-48.489.9169.8-150.7-58.3000115.5
302F40.2Very low43.6Very low189 Ų189129.5 Ų129.583%0.82971%0.714SS**  trans-125.9138.8154.3-93.4-91.4000110.9T300T300-F302 PolarHBondContact O-N 3.04Å; T300-F302 VanDerWaalsContact O-N 3.07Å
303P56.7Low43.3Very low106 Ų106130 Ų13069%0.68872%0.72SS**PPolyproline II helixtrans-73.1155.2-175.829.9-35.7000113
304P55.2Low43.5Very low117 Ų117128.2 Ų128.276%0.7672%0.715SS**PPolyproline II helixtrans-71.5151.7-173.929.2-36.2000113.7
305P60.8Low43.4Very low117 Ų117130.9 Ų130.976%0.7672%0.717SS**PPolyproline II helixtrans-73.2151.9176.931-35.6000112.8
306P57.7Low43.2Very low118 Ų118132 Ų13277%0.76672%0.718SS**PPolyproline II helixtrans-73.315517930.6-35.8000113.2
307P64.2Low42.9Very low128 Ų128132.3 Ų132.383%0.83172%0.724SS**PPolyproline II helixtrans-72.2156-176.429.7-36000114
308T59.9Low42.9Very low107 Ų107132.2 Ų132.266%0.65673%0.728SS**PPolyproline II helixtrans-81.5142.3-179.331.70000113.4
309P48.3Very low42.8Very low125 Ų125135.4 Ų135.481%0.81274%0.742SS**PPolyproline II helixtrans-73141.5175-15.830.5000113
310L42.9Very low42.8Very low154 Ų154136.4 Ų136.481%0.80675%0.751SS**PPolyproline II helixtrans-67.7153.3170.2-71.1166.3000111.8
311R35.7Very low42.6Very low227 Ų227139.3 Ų139.386%0.85776%0.764SS**  trans-118.298.7168.7-91.3-167.2171.5-145.2-0.3109.5
312D34.7Very low42.6Very low136 Ų136135.4 Ų135.473%0.72776%0.759SS**  trans-97.5150167.5-66-55.4000111.5
313S32.9Very low42.4Very low107 Ų107136.6 Ų136.675%0.74876%0.764SS**  trans108.6134.9159.7-51.70000117.2
314I36.1Very low41.4Very low155 Ų155136 Ų13680%0.79577%0.768SS**  cis-155.7159.2-18.6-117.4154000106
315M32Very low40.6Very low165 Ų165136.5 Ų136.581%0.81377%0.771SS**  trans-124.9141.3177.2-149172.8-174.500110.7
316N33.1Very low39.1Very low125 Ų125137 Ų13767%0.66876%0.763SS**  trans70.7129177.9-48.3-29.4000113.8
317S28.2Very low38Very low101 Ų101142.5 Ų142.571%0.70677%0.77SS**  cis72133.446.889.40000112
318T33.2Very low36.7Very low113 Ų113142.3 Ų142.369%0.69376%0.758SS**  cis-150.1-175.123.450.20000112.4
319N33.4Very low35.4Very low141 Ų141142.4 Ų142.475%0.75475%0.751SS**  trans72.6155.1168.7-71.1-73.4000117.9
320V37.3Very low34.8Very low120 Ų120144.4 Ų144.473%0.72775%0.749SS**  cis-174.5136.1-40.21250000107.1
321D35Very low34.4Very low145 Ų145140.6 Ų140.678%0.77574%0.735SS**  164.7179.2119.3-147-13.3000112.2
322L36.3Very low34.4Very low148 Ų148140.8 Ų140.878%0.77574%0.735SS**  trans-110.8131.9-156.1-66.7154000115.2
323K36.4Very low34.2Very low214 Ų214140.4 Ų140.493%0.9374%0.74SS**  -179.8142.8128-99.3159.1-175.1174.90113.2
324A35.6Very low34.1Very low93 Ų93141.5 Ų141.577%0.76974%0.738SS**  trans-104.5175.4168.600000109.3
325P39.4Very low34.1Very low127 Ų127142.6 Ų142.683%0.82574%0.74SS**  cis-127.3-165.74112.714.8000113.3
326H29.6Very low34.3Very low128 Ų128140.4 Ų140.459%0.59374%0.735SS**  cis174107.9-40.8172.181.1000108.6H328H326-H328 AromaticContact CE1-CD2 3.65Å; H326-H328 AromaticContact CE1-CG 3.59Å; H326-H328 AromaticContact CE1-ND1 3.83Å; H326-H328 AromaticContact CE1-NE2 3.96Å; H326-H328 AromaticContact NE2-CD2 3.52Å; H326-H328 AromaticContact NE2-CG 3.65Å
327Y34.5Very low34.4Very low234 Ų234144.2 Ų144.292%0.91874%0.74SS**  trans-158.2118.3166.5-83.4-80.5000104.9
328H36.1Very low34.4Very low124 Ų124143.6 Ų143.657%0.57474%0.736SS**  cis64.7127.218.9-105.142000113.4H326H326-H328 AromaticContact CE1-CD2 3.65Å; H326-H328 AromaticContact CE1-CG 3.59Å; H326-H328 AromaticContact CE1-ND1 3.83Å; H326-H328 AromaticContact CE1-NE2 3.96Å; H326-H328 AromaticContact NE2-CD2 3.52Å; H326-H328 AromaticContact NE2-CG 3.65Å
329E32Very low34.4Very low108 Ų108145.4 Ų145.451%0.50574%0.741SS.*  cis-151.2-169.4-15.2-135.7-156.4-150.100108.5C331E329-C331 PolarHBondContact OE1-SG 3.15Å; E329-C331 VanDerWaalsContact OE2-CB 3.3Å; E329-C331 WeakPolarHBondContact OE2-CB 3.5Å; E329-C331 PolarHBondContact OE2-SG 3.02Å
330H36.3Very low34.2Very low167 Ų167143.8 Ų143.877%0.77374%0.735SS**  cis-120.3167.417-66.2-62.8000111.2
331C35.5Very low33.9Very low75 Ų75145.3 Ų145.351%0.50774%0.737SS.*  cis77.3101.937.9-75.60000114.6E329E329-C331 PolarHBondContact OE1-SG 3.15Å; E329-C331 VanDerWaalsContact OE2-CB 3.3Å; E329-C331 WeakPolarHBondContact OE2-CB 3.5Å; E329-C331 PolarHBondContact OE2-SG 3.02Å
332R34.8Very low33.6Very low230 Ų230144.3 Ų144.387%0.86873%0.731SS**  67.3110.680.2-77.3-172.9176.91751.6113D334R332-D334 PolarHBondContact O-N 2.97Å
333P30.2Very low33.5Very low128 Ų128145.6 Ų145.683%0.83173%0.731SS**SBendtrans-9584.7178.336.1-32.4000112.9
334D30.7Very low33.3Very low130 Ų130141.9 Ų141.970%0.69572%0.72SS**  trans-166.6159.7149.7-102-39.4000110.4R332 R764R332-D334 PolarHBondContact O-N 2.97Å; D334-R764 IonicContact OD1-NH2 3.68Å
335E37.2Very low33.2Very low178 Ų178141.9 Ų141.983%0.83271%0.714SS**  trans74.674.7171.3-51.3-153131.600121.3
336V36Very low33Very low119 Ų119141 Ų14172%0.72170%0.703SS**  61.3116.4113.9176.50000121.5
337R34.1Very low33.3Very low205 Ų205142.9 Ų142.977%0.77471%0.709SS**  trans68159152.3-77.1174.2164154.7-9.4117.5
338S29.8Very low33.1Very low88 Ų88137 Ų13762%0.61570%0.702SS**  cis-175.7160.7-20.3179.20000110.1
339L31.7Very low33.1Very low151 Ų151135.8 Ų135.879%0.79171%0.707SS**  trans73.6158.2166.2-61.8125.7000117.6
340V29.6Very low33Very low107 Ų107137.7 Ų137.765%0.64872%0.721SS**  cis-174.9157.9-41.91000000108.5
341M30.7Very low32.9Very low152 Ų152137.1 Ų137.175%0.74972%0.722SS**  trans68.8148.2162.9-89.533.5170.600116.9
342D29.8Very low32.7Very low125 Ų125140 Ų14067%0.66873%0.731SS**  cis-164.6-176.3-7.1-144.1-12000111.6
343K34.5Very low32.5Very low174 Ų174134.2 Ų134.276%0.75772%0.721SS**  trans85.4139.8158.8-46.3-152.1177-176.80117.1
344I32.5Very low32.5Very low137 Ų137134.1 Ų134.170%0.70371%0.714SS**  cis-155.2151.5-1.8-127.8170.8000112.4
345S33.4Very low32.4Very low93 Ų93135 Ų13565%0.6572%0.718SS**  trans63.8149.1159-75.50000119.8
346D33.7Very low32Very low109 Ų109133.6 Ų133.658%0.58372%0.716SS**  cis-154.8159.8-0.7-12925.1000113.6
347K36.5Very low31.5Very low167 Ų167133.8 Ų133.873%0.72672%0.717SS**  trans63.3102158.9-67158.9179.9115.90116.4
348S30.1Very low31.1Very low110 Ų110128.7 Ų128.777%0.76971%0.713SS**  71.3137.869.178.60000113.8
349S35.6Very low31.1Very low98 Ų98130 Ų13069%0.68572%0.722SS**  cis-150.3145.218.556.10000114.5
350N29.9Very low30.8Very low148 Ų148129.8 Ų129.879%0.79172%0.72SS**  trans17.1129.9134.9-47.2-19.2000118.7
351I34.7Very low30.7Very low155 Ų155129.5 Ų129.580%0.79572%0.723SS**  -155.1110.4123.8-105.6154000109.7
352I32.4Very low30.6Very low135 Ų135130 Ų13069%0.69272%0.723SS**  trans61.7100.2130-66.6174.3000116.2
353T29.7Very low30.5Very low109 Ų109130.2 Ų130.267%0.66972%0.724SS**  63.3142.581.1670000113.8
354N30.3Very low30.2Very low126 Ų126128.6 Ų128.667%0.67472%0.723SS**  cis-144.4148.819-96.8-38000109.3
355L28.3Very low29.8Very low150 Ų150127.1 Ų127.179%0.78572%0.724SS**  67.7145.973.1-64.7-174.9000116.8
356N27.9Very low29.7Very low147 Ų147127.5 Ų127.579%0.78673%0.727SS**  trans72.2129.3179.8-64.2-9.4000117.4
357V25.8Very low29.8Very low124 Ų124128.9 Ų128.975%0.75274%0.739SS**  cis95.9123.223.6-179.90000114.2
358S25.6Very low29.5Very low97 Ų97128.4 Ų128.468%0.67874%0.74SS**  trans56108.3162.764.70000120.7
359S30.3Very low29.7Very low115 Ų115130.9 Ų130.980%0.80474%0.743SS**  trans-162.9135.6133.6-84.20000106.1
360I25.2Very low29.6Very low147 Ų147130 Ų13075%0.75474%0.736SS**  cis72142.236.9-50.5176.7000111.5
361S28.1Very low29.6Very low101 Ų101128.8 Ų128.871%0.70673%0.734SS**  trans81.2129-157.377.20000114.1
362E28.1Very low29.3Very low163 Ų163126.3 Ų126.376%0.76273%0.731SS**  cis78.7144.437.2-61.7176.1-158.600113.4
363L28Very low29.5Very low129 Ų129127 Ų12768%0.67574%0.741SS**  cis-164.8158.2-11.5-113.7168.4000108.5
364N27.2Very low29.5Very low140 Ų140125.7 Ų125.775%0.74974%0.741SS**  trans64.7161.6162.8-60.6-34.7000115.9
365C26Very low29.9Very low106 Ų106124.6 Ų124.672%0.71674%0.744SS**  cis-157.4141.924.7-155.40000113.5
366S29.9Very low30Very low101 Ų101124.6 Ų124.671%0.70674%0.743SS**  trans59.7149.5145-65.30000120.2
367T35.3Very low30.3Very low138 Ų138124 Ų12485%0.84775%0.745SS**  cis-139.6151.235.3-580000113.4
368Q31.2Very low30.7Very low158 Ų158124.7 Ų124.774%0.73874%0.744SS**  trans-92164.4-178.2-56.5-179.57.500113.6
369I35.1Very low31.2Very low162 Ų162128.6 Ų128.683%0.83176%0.757SS**  trans176.8112.5136.2-88.8150.1000104.5
370S32.2Very low31.4Very low79 Ų79132.3 Ų132.355%0.55276%0.758SS**  74.6135.551.4-55.60000113.5
371T29.5Very low31.8Very low122 Ų122133.6 Ų133.675%0.74877%0.766SS**  cis-166.3153.4-15.421.40000108.8
372S28.7Very low32.1Very low104 Ų104134.1 Ų134.173%0.72777%0.77SS**  trans41.1118.1149.3640000122.4
373V36.7Very low32.8Very low149 Ų149132 Ų13290%0.90377%0.773SS**  179.8164.1124.2-90.10000108.8
374A30.9Very low33.4Very low81 Ų81131 Ų13167%0.66978%0.777SS**  cis-179.9164.8-37.500000107.2
375S37Very low34.7Very low104 Ų104129.9 Ų129.973%0.72778%0.777SS**  trans70.8121.7176.3-51.20000115.3
376I30.7Very low36.1Very low149 Ų149130.7 Ų130.776%0.76478%0.781SS**  cis68.2115.341.2-43.7159.8000109.3
377T35.4Very low37.4Very low135 Ų135132.1 Ų132.183%0.82879%0.785SS**  -144.2165.962.341.20000116.5
378N32.6Very low38.7Very low139 Ų139130.5 Ų130.574%0.74378%0.777SS**  trans-69.9154.7178.4-42.2-87.1000115.1
379L37.3Very low40.3Very low179 Ų179129 Ų12994%0.93778%0.781SS**  -143.4151119-84.7-170.7000110
380K34.2Very low41.6Very low192 Ų192129.1 Ų129.184%0.83578%0.783SS**  trans-147.1114.9-165.7173.8-177.5173.9179.90112.9
381L34.1Very low42.9Very low174 Ų174130.9 Ų130.991%0.91179%0.792SS**  trans-154.9148.5157.7-77.1106.4000107.6
382S34.9Very low44.3Very low113 Ų113133.2 Ų133.279%0.7980%0.799SS**  cis-162.2105.3-25.2-173.80000106
383S41Very low45.8Very low118 Ų118134 Ų13483%0.82580%0.802SS**PPolyproline II helixtrans-83.8125.1-172.654.60000111.9
384S42.4Very low46.4Very low109 Ų109132.6 Ų132.676%0.76280%0.799SS**PPolyproline II helixtrans-63.1147.7169.543.10000111.7
385P54.4Low48.2Very low116 Ų116134 Ų13475%0.75380%0.804SS**PPolyproline II helixtrans-75.4147.7-175.730.4-35.2000112.2
386P54.2Low49.7Very low122 Ų122134.6 Ų134.679%0.79281%0.805SS**PPolyproline II helixtrans-72.4138.5175.830.1-34.4000111.8
387T58.2Low50.9Low131 Ų131133.5 Ų133.580%0.80481%0.807SS**PPolyproline II helixtrans-62.4136.2177.7-460000111.6
388P62.2Low52.2Low104 Ų104137 Ų13768%0.67581%0.806SS**PPolyproline II helixtrans-66.9152.4178.227.7-35.7000112.7
389P65.4Low53.8Low128 Ų128135.3 Ų135.383%0.83180%0.802SS**PPolyproline II helixtrans-69.5138.2-179.629.1-34.9000112
390L62.6Low54.6Low164 Ų164132.4 Ų132.486%0.85979%0.794SS**PPolyproline II helixtrans-71.1148.6175.5-70.8170.8000111.6
391P57.7Low55.8Low116 Ų116127.9 Ų127.975%0.75379%0.786SS**PPolyproline II helixtrans-67148.7-179.128.2-35.4000112.4
392L59.9Low57.2Low170 Ų170125.9 Ų125.989%0.8978%0.781SS**PPolyproline II helixtrans-64.7137.5178.3-73.1122.9000111.6
393P60.8Low58.7Low122 Ų122125.4 Ų125.479%0.79278%0.775SS**PPolyproline II helixtrans-66.7142.3173.828.6-34.3000111
394S49Very low59.6Low119 Ų119125.8 Ų125.883%0.83278%0.775SS**PPolyproline II helixtrans-66.3147.6-179.2410000112.8
395S67.3Low59.8Low111 Ų111131.6 Ų131.678%0.77678%0.78SS**PPolyproline II helixtrans-69.1140.3-17739.20000112.4
396P69.5Low59.5Low115 Ų115132.7 Ų132.775%0.74778%0.775SS**PPolyproline II helixtrans-69.8151.217929.1-35000111.8
397P56.5Low59.4Low126 Ų126132.5 Ų132.582%0.81877%0.774SS**PPolyproline II helixtrans-65.6141.4-177.926.9-34.8000112.2
398R61.6Low59.2Low209 Ų209130 Ų13079%0.78977%0.767SS**PPolyproline II helixtrans-65.5131.7-179.9-171.4176.1-174.4-108.84.8110.6
399P65.8Low58.7Low103 Ų103129.8 Ų129.867%0.66976%0.764SS**PPolyproline II helixtrans-64.2149.8175.527.2-34.6000111.3
400P55.3Low57.6Low119 Ų119128.6 Ų128.677%0.77376%0.758SS**PPolyproline II helixtrans-66.3141.3-178.527.3-34.7000111.8V402P400-V402 PolarHBondContact O-N 3.44Å; P400-V402 VanDerWaalsContact O-N 3.14Å
401S60.1Low56.6Low96 Ų96127.6 Ų127.667%0.67175%0.753SS**  trans-65.3110.1175.6-63.50000110.8
402V62.6Low55.8Low132 Ų132131.1 Ų131.180%0.876%0.759SS**PPolyproline II helixtrans-72.7126.2168.1-1790000108.4P400P400-V402 PolarHBondContact O-N 3.44Å; P400-V402 VanDerWaalsContact O-N 3.14Å
403P65.4Low54.7Low103 Ų103132.9 Ų132.967%0.66976%0.755SS**PPolyproline II helixtrans-67.9150.4178.927.6-34.4000111.6R405P403-R405 PolarHBondContact O-N 3.42Å
404P60.4Low53.4Low127 Ų127134.8 Ų134.883%0.82575%0.752SS**PPolyproline II helixtrans-58134.1177.4-23.533.9000112H406P404-H406 PolarHBondContact O-N 3.37Å
405R46Very low53Low231 Ų231136 Ų13687%0.87275%0.747SS**PPolyproline II helixtrans-67.5130.8171.4-80.5-171.9172.2-168.2-2.5109.9P403P403-R405 PolarHBondContact O-N 3.42Å
406H49Very low51.3Low139 Ų139137.5 Ų137.564%0.64474%0.742SS**PPolyproline II helixtrans-62.4134.4178.4-156.2-95.5000110.7P404 A408 T409P404-H406 PolarHBondContact O-N 3.37Å; H406-A408 PolarHBondContact O-N 3.39Å; H406-T409 PolarHBondContact O-N 3.34Å; H406-T409 PolarHBondContact O-OG1 3.26Å
407P52.1Low49.8Very low117 Ų117139.5 Ų139.576%0.7675%0.745SS**G310 helixtrans-65.7-4.9-174.725.1-34.5000114.8T409P407-T409 VanDerWaalsContact C-N 3.26Å; P407-T409 PolarHBondContact O-N 2.79Å
408A55Low48.8Very low79 Ų79139.3 Ų139.365%0.65374%0.742SS**G310 helixtrans-80.47.5177.300000114.9H406H406-A408 PolarHBondContact O-N 3.39Å
409T50.3Low47.6Very low100 Ų100136.5 Ų136.561%0.61374%0.743SS**G310 helixtrans-105.45.1-174.552.70000115.2H406 P407 L411H406-T409 PolarHBondContact O-N 3.34Å; H406-T409 PolarHBondContact O-OG1 3.26Å; P407-T409 VanDerWaalsContact C-N 3.26Å; P407-T409 PolarHBondContact O-N 2.79Å; T409-L411 PolarHBondContact O-N 3.43Å
410S43.5Very low46Very low103 Ų103139 Ų13972%0.7275%0.749SS**PPolyproline II helixtrans-74119.7168.2-68.10000110.7Q412S410-Q412 PolarHBondContact O-N 3.44Å
411L41.8Very low45.2Very low142 Ų142139 Ų13974%0.74375%0.75SS**PPolyproline II helixtrans-71.8116.6172.8-69.2173.8000109.7T409T409-L411 PolarHBondContact O-N 3.43Å
412Q39.7Very low44Very low190 Ų190143.4 Ų143.489%0.88876%0.757SS**PPolyproline II helixtrans-68.5131.2169.7-67.9-172.6-1.200110.2S410 K414S410-Q412 PolarHBondContact O-N 3.44Å; Q412-K414 PolarHBondContact O-N 3.44Å
413Y37.5Very low42.4Very low207 Ų207144.2 Ų144.281%0.81276%0.762SS**  trans-83.7105.2158.8-82.2-97.6000107.8I415Y413-I415 PolarHBondContact O-N 3.02Å; Y413-I415 VanDerWaalsContact O-N 3.14Å
414K34Very low40.9Very low163 Ų163144.9 Ų144.971%0.70976%0.764SS**  trans-68.9107.1168-169.2-169.5-173.6-166.40107.9Q412 E416Q412-K414 PolarHBondContact O-N 3.44Å; K414-E416 WeakPolarHBondContact CE-OE1 3.48Å; K414-E416 IonicContact NZ-OE1 3.43Å; K414-E416 PolarHBondContact NZ-OE1 3.4Å
415I39.1Very low39.5Very low144 Ų144144 Ų14474%0.73876%0.761SS**  trans-79.8129.7160.2-60.4175.7000106Y413 L417Y413-I415 PolarHBondContact O-N 3.02Å; Y413-I415 VanDerWaalsContact O-N 3.14Å; I415-L417 HydrophobicContact CG2-CD1 4.24Å
416E33Very low39Very low142 Ų142139.4 Ų139.466%0.66475%0.749SS**  trans-114107.7-177.8-168.6149.1-112.100107.4K414K414-E416 WeakPolarHBondContact CE-OE1 3.48Å; K414-E416 IonicContact NZ-OE1 3.43Å; K414-E416 PolarHBondContact NZ-OE1 3.4Å
417L37.6Very low38.4Very low157 Ų157140.8 Ų140.882%0.82275%0.754SS**  trans-137.297.2-173.5-132.886.2000110.5I415I415-L417 HydrophobicContact CG2-CD1 4.24Å
418T34.7Very low37.6Very low122 Ų122138.8 Ų138.875%0.74875%0.747SS**  trans-154143169.48.90000105.5
419D36.2Very low36.8Very low150 Ų150144 Ų14480%0.80276%0.755SS**  cis-125.8165.222.3-71.3-54.1000115.2
420L33Very low36Very low155 Ų155145.4 Ų145.481%0.81276%0.759SS**PPolyproline II helixtrans-92146.1171.7-115.577.5000112.3
421P38.2Very low35.6Very low121 Ų121147.1 Ų147.179%0.78676%0.76SS**PPolyproline II helixtrans-97.1149.6143.934.2-28000111.2
422K34.4Very low35.2Very low188 Ų188145.1 Ų145.182%0.81776%0.758SS**PPolyproline II helixtrans-98134.8-171.5-60.3169.5-178172.60112.7V424K422-V424 HydrophobicContact CB-CG2 4.39Å
423T30Very low34.9Very low149 Ų149142 Ų14291%0.91475%0.752SS**PPolyproline II helixtrans-86.5143.8157.217.70000110.7
424V33.2Very low34.8Very low116 Ų116136.5 Ų136.570%0.70374%0.743SS**  trans-145.9134-174172.30000111.5K422K422-V424 HydrophobicContact CB-CG2 4.39Å
425S32.1Very low34.8Very low110 Ų110134.9 Ų134.977%0.76974%0.738SS**  trans70158.4165.477.80000116.9
426E35.7Very low34.6Very low133 Ų133136.4 Ų136.462%0.62174%0.739SS**  cis-153.9163.511.6-151-161.8152.700112.6
427K34.8Very low34.7Very low168 Ų168134.6 Ų134.673%0.7374%0.743SS**  trans70.3143163-75.6146.8176.6143.20117.1
428A36.4Very low34.6Very low76 Ų76134.3 Ų134.363%0.62874%0.737SS**  cis-163.9148.4-3.500000113.5
429K36.9Very low34.7Very low188 Ų188133.3 Ų133.382%0.81773%0.727SS**  trans60.9144.6147.2-65.7179.2178.5179.90118.2
430N34.4Very low34.8Very low130 Ų130134.1 Ų134.170%0.69572%0.724SS**  cis-164.9-179.50.8-118.19.8000111.1
431N35.2Very low34.9Very low138 Ų138130.6 Ų130.674%0.73871%0.712SS**  trans76.5101.6167.2-59.2-5.3000115.3
432S33.9Very low34.9Very low101 Ų101132.9 Ų132.971%0.70671%0.712SS**  78129.575.2720000112.8
433V33Very low35.1Very low125 Ų125130.7 Ų130.776%0.75870%0.704SS**  -159150.459.21550000111.6
434S34.3Very low35.2Very low90 Ų90129.3 Ų129.363%0.62969%0.691SS**  trans36.9149.1156.5-69.50000122.7
435E34.5Very low35.2Very low130 Ų130134 Ų13461%0.60770%0.698SS**  cis-166.1153.5-3.2-120.6163.9-102.100111.7
436K35.3Very low35.7Very low175 Ų175133.2 Ų133.276%0.76169%0.69SS**  trans62.3153.7155.5-72158.7-178.8153.50116.9
437S35.6Very low35.8Very low104 Ų104133.3 Ų133.373%0.72770%0.695SS**  cis-172.7155.4-10.948.10000107
438E35.8Very low35.7Very low151 Ų151130.1 Ų130.171%0.70669%0.689SS**  cis-164.11734.2-137.5-164.713000109.5
439N35.5Very low35.6Very low102 Ų102132.7 Ų132.755%0.54569%0.693SS.*  trans63.8139.5149.5-73.9-35000120.6
440K37.6Very low35.4Very low167 Ų167130.8 Ų130.873%0.72669%0.691SS**  cis-164.2151.9-0.5-136.5160.7-166.2165.50113.8
441S35.5Very low35.4Very low80 Ų80130 Ų13056%0.55969%0.692SS**  trans46.9115.2143.761.10000121.1
442H38.4Very low35.2Very low169 Ų169130.6 Ų130.678%0.78269%0.694SS**  106154.179-75.5-23000112
443Q38.2Very low35.3Very low143 Ų143131 Ų13167%0.66870%0.697SS**  cis-160.5156.30.1-122.5172.2-1.300111.9
444N33.6Very low35.1Very low120 Ų120131 Ų13164%0.64270%0.697SS**  trans55.9140.8149.6-55.6-15.9000121.4
445Y32.2Very low35.1Very low215 Ų215135.5 Ų135.584%0.84371%0.708SS**  cis75.6150.235.9-74.9-53.9000115.5
446P43.1Very low35Very low93 Ų93133.9 Ų133.960%0.60471%0.707SS**  cis-140.2-153.9-21.233.1-8.8000113.5
447D36.6Very low35.1Very low135 Ų135131.5 Ų131.572%0.72271%0.71SS**  trans76.4150.6149.7-65.4-8.1000121.7
448T34.6Very low34.7Very low100 Ų100133 Ų13361%0.61371%0.709SS**  cis-162.2159.3-15.325.60000113.4
449N33.2Very low34.5Very low131 Ų131136.9 Ų136.970%0.70172%0.717SS**  trans70155.3142-66.7-19.6000124.5
450N33.7Very low34.5Very low147 Ų147138.1 Ų138.179%0.78673%0.728SS**  trans75.4142.8157.4-61.7-19.5000118.8
451T34.5Very low34.2Very low115 Ų115135.2 Ų135.271%0.70673%0.729SS**  cis-157.1165.2-4.1-108.70000113.5
452L31.1Very low33.8Very low150 Ų150136.2 Ų136.279%0.78574%0.735SS**  trans-40.9177.8-175.6-67.180.2000121.4
453S34.2Very low33.6Very low109 Ų109137.6 Ų137.676%0.76274%0.739SS**  trans94121.6168.173.10000115.5
454V29.6Very low33.2Very low125 Ų125136.9 Ų136.976%0.75874%0.739SS**  cis74.497.417-166.70000115.6
455Q33.5Very low33.1Very low185 Ų185136.8 Ų136.886%0.86475%0.748SS**  -165.2156.9113.3-124.5125.542.700114.7
456T33.5Very low33.3Very low95 Ų95130.4 Ų130.458%0.58374%0.74SS**  trans-84.4169.7177.235.30000112.5L458T456-L458 HydrophobicContact CG2-CG 4.2Å; T456-L458 VanDerWaalsContact OG1-CD1 3.31Å; T456-L458 WeakPolarHBondContact OG1-CD1 3.19Å
457P36.2Very low32.7Very low126 Ų126132.3 Ų132.382%0.81875%0.75SS**  -113.9143.486.233.9-34.2000111.9
458L28.9Very low32.4Very low136 Ų136129 Ų12971%0.71274%0.742SS**  cis61.697.529-73.1172.6000115.7T456T456-L458 HydrophobicContact CG2-CG 4.2Å; T456-L458 VanDerWaalsContact OG1-CD1 3.31Å; T456-L458 WeakPolarHBondContact OG1-CD1 3.19Å
459R31.5Very low32.2Very low231 Ų231134.3 Ų134.387%0.87275%0.752SS**  -176.6128.3110.7-107.1-177.4176.4-175.7-1.2115.2
460T34.4Very low32.1Very low129 Ų129134.6 Ų134.679%0.79175%0.752SS**  trans55.1148.6136.552.20000122
461S31.2Very low32.2Very low106 Ų106133 Ų13374%0.74175%0.75SS**  cis-154.3143.4-3.6170.90000112.8
462C28Very low31.9Very low101 Ų101134 Ų13468%0.68275%0.751SS**  trans-39.3148.6165.3-45.40000117.7
463K34.6Very low32Very low197 Ų197134.1 Ų134.186%0.85775%0.745SS**  -178.5154.9126.6-94.3153.7-174.1179.10109.5
464N30.1Very low31.8Very low128 Ų128135.7 Ų135.768%0.68474%0.74SS**  cis-176.6138.8-32.2-111.815.8000108
465S31.1Very low31.7Very low119 Ų119134.8 Ų134.883%0.83274%0.739SS**  trans57.5159.2158.1530000118.7
466A35Very low31.7Very low80 Ų80130.1 Ų130.166%0.66173%0.727SS**  cis-137.2151.78.400000109.6
467T30.9Very low31.5Very low133 Ų133132.5 Ų132.582%0.81674%0.735SS**  59.113181.2-22.30000111.8
468A30.4Very low31Very low67 Ų67131.8 Ų131.855%0.55473%0.732SS**  cis-166174.72200000114.5
469Y31.1Very low31.2Very low211 Ų211134.1 Ų134.183%0.82774%0.739SS**  trans58.4127.1151.7-67.6-59.2000120.1
470I30.8Very low31.1Very low136 Ų136127.6 Ų127.670%0.69773%0.729SS**  cis64112.519.6-45.4178000112.2
471P35.5Very low31.1Very low115 Ų115127 Ų12775%0.74772%0.721SS**  -129.1159.765.41016000114.5
472N28.3Very low31.3Very low135 Ų135130.2 Ų130.272%0.72272%0.722SS**  61143.869.3-91.9-30.8000113
473K33.5Very low31.6Very low152 Ų152133 Ų13366%0.66173%0.728SS**  cis-168.1165.526.6-133.4169.4-177.2-160.40113.9
474Q30.5Very low31.6Very low142 Ų142127.3 Ų127.366%0.66471%0.714SS**  trans32.7118.3139.3-77.8163.4-25.300119.8
475S28Very low31.9Very low106 Ų106128.4 Ų128.474%0.74172%0.72SS**  78.515793.193.80000113.5
476S32.6Very low32.2Very low87 Ų87127.2 Ų127.261%0.60871%0.711SS**  cis-175168.511.9270000108.9
477I30.2Very low32.1Very low145 Ų145128.9 Ų128.974%0.74472%0.718SS**  trans67.4107.7156-71.5157.2000114.7
478C25Very low32.3Very low111 Ų111127.5 Ų127.575%0.7572%0.72SS**  77.1142.568.5-66.40000114.3
479Q32.6Very low32.4Very low185 Ų185132.8 Ų132.886%0.86474%0.736SS**  trans69.4148.1174.4-66.4172-19.700115.8
480S30.3Very low32.6Very low94 Ų94131.4 Ų131.466%0.65773%0.734SS**  cis-160.3158.8-22.7-123.60000111.3
481D34.1Very low32.8Very low117 Ų117131.8 Ų131.863%0.62674%0.736SS**  trans43.4111.8145.9-66.8-85.4000122.5
482K34.9Very low32.6Very low174 Ų174129 Ų12976%0.75773%0.729SS**  87.8148.4116.8-75.6-175.6-178.1-172.20122.6
483L33.6Very low32.9Very low158 Ų158129.8 Ų129.883%0.82773%0.733SS**  trans68.7149.9158.8-65154.8000116.7
484S36.3Very low32.8Very low78 Ų78130.1 Ų130.155%0.54574%0.737SS.*  cis-174.1146.9-29.446.50000109
485D36.2Very low32.8Very low152 Ų152128.1 Ų128.181%0.81373%0.734SS**  trans61.3170.6157.1-56-29.2000118.2
486S36.3Very low33Very low93 Ų93132.1 Ų132.165%0.6574%0.738SS**  -158.8152.8-51.363.10000109.4
487S33.3Very low32.9Very low116 Ų116134.9 Ų134.981%0.81174%0.744SS**  trans56.6128.9160.574.20000120.7
488A34.8Very low32.8Very low104 Ų104135 Ų13586%0.8675%0.746SS**  -169.6137.8118.800000110.7
489M31.8Very low33Very low178 Ų178134.7 Ų134.788%0.87774%0.741SS**  trans-83.5153.2169.1-58.8160.363.800110.1
490K37.1Very low32.9Very low182 Ų182132 Ų13279%0.79173%0.732SS**  -179.9135.2112.9-101.9178.7170.6-175.90114.8
491I34.2Very low32.9Very low143 Ų143134.1 Ų134.173%0.73374%0.736SS**  trans61.6133.1137.9-62.9166.8000118.2
492G31.9Very low32.8Very low58 Ų58134 Ų13460%0.59875%0.745SS**  trans-100-132.1173.400000113.2
493N34.4Very low32.7Very low151 Ų151129.7 Ų129.781%0.80774%0.737SS**  trans73.9142.8-164.7-53.68.5000112.3
494E30.9Very low32.6Very low159 Ų159129.1 Ų129.174%0.74373%0.73SS**  cis-166.9159-28.7-129.4-176.416900108.8
495T30.2Very low32.3Very low100 Ų100132.7 Ų132.761%0.61374%0.739SS**  trans56.9118.8153.857.40000123.2
496K31.9Very low32.2Very low190 Ų190130.4 Ų130.483%0.82673%0.731SS**  78.5171.9126.5-69.5178.8176.4177.40120.6
497I30.3Very low31.9Very low144 Ų144134 Ų13474%0.73874%0.738SS**  trans78.9102.3176.4-51-178000110.2
498L28.2Very low32Very low149 Ų149133.9 Ų133.978%0.7874%0.736SS**  61138.878.6-59.5160.7000110.4
499T28.9Very low32Very low104 Ų104138.1 Ų138.164%0.63874%0.736SS**  cis-165.8178.819.3-13.70000109.5
500N32.3Very low32.1Very low128 Ų128133.3 Ų133.368%0.68472%0.724SS**  trans73.6134157.6-61.6-27.4000116.9
501N29.9Very low31.8Very low138 Ų138133.1 Ų133.174%0.73873%0.726SS**  cis105.7139.426.9-77-32.7000111.8
502S32Very low31.7Very low116 Ų116130.8 Ų130.881%0.81172%0.723SS**  trans71.3149.3164.1-57.50000118.3
503S32.2Very low31.7Very low83 Ų83134.1 Ų134.158%0.5873%0.731SS**  cis-162.5168.4-25.254.80000111.5
504E31.3Very low31.3Very low146 Ų146132 Ų13268%0.68273%0.728SS**  trans62.9138.7139.3-79.2162.6126.100123.7
505M30.8Very low31.4Very low152 Ų152128.8 Ų128.875%0.74973%0.729SS**  trans70.4155.4137-71.5176.2-169.900118.9
506T33.5Very low31.5Very low104 Ų104128.7 Ų128.764%0.63873%0.732SS**  cis-148134.3-4.75.80000107.1
507E31.1Very low31.6Very low170 Ų170125.8 Ų125.879%0.79473%0.726SS**  7815494.7-163.3-179.2-169.200115.4
508S34.1Very low31.8Very low112 Ų112125.6 Ų125.678%0.78373%0.726SS**  trans85.5144.7164.684.60000117.3
509K34.3Very low32.1Very low193 Ų193124.3 Ų124.384%0.83972%0.719SS**  cis-170.7164.6-16.3170.9168.7-178.5174.80110
510A33.9Very low32.4Very low77 Ų77125.4 Ų125.464%0.63672%0.717SS**  trans73.2138.1175.100000115.6
511Q30.4Very low32.4Very low178 Ų178127.9 Ų127.983%0.83272%0.717SS**  cis75.1137.844.9-70.7175.5-64.200112.9
512S32.4Very low32.6Very low95 Ų95127.5 Ų127.566%0.66472%0.715SS**  cis-173.2161.35.540.50000113.1
513V31.6Very low32.8Very low127 Ų127129.7 Ų129.777%0.7771%0.71SS**  trans63.6119.6144.1163.30000117.1
514S27.9Very low33Very low108 Ų108132.1 Ų132.176%0.75572%0.716SS**  83.1159.953.4-56.30000114.6
515A32.7Very low33.1Very low91 Ų91129.7 Ų129.775%0.75272%0.716SS**  trans74.3112.9-170.100000113.8
516S31Very low33Very low98 Ų98127.9 Ų127.969%0.68571%0.713SS**  83157.562860000112.2
517D34.1Very low33Very low128 Ų128130.4 Ų130.468%0.68472%0.723SS**  cis-163171.925.3-127.6-43.9000111.7
518L35.6Very low32.8Very low141 Ų141132.2 Ų132.274%0.73872%0.724SS**  trans66.6144.7159.6-60.8158.3000118.4
519D34.8Very low32.9Very low121 Ų121132.5 Ų132.565%0.64772%0.723SS**  cis-161.8160.4-16.6-135.1-6.9000112.3
520E34.8Very low32.8Very low127 Ų127131.1 Ų131.159%0.59372%0.724SS**  trans48.9152.5148.8-68.8-161.2119.600122.7
521R32.6Very low32.8Very low180 Ų180134.6 Ų134.668%0.67973%0.732SS**  cis-157.3143.6-0.2-133.6-178.9-78.7141.80.9110.3
522N34.3Very low33Very low130 Ų130129.4 Ų129.470%0.69573%0.726SS**  trans59.4149.9148.2-69.4-17.9000121.4
523K36.2Very low33.1Very low163 Ų163135.7 Ų135.771%0.70974%0.735SS**  cis-172.5162.6-31.5-132-175.8177.3-176.40109.3
524D35.1Very low33.1Very low133 Ų133134.9 Ų134.971%0.71174%0.735SS**  trans62.1149.6158.7-48.7-29.4000118.3
525S33.5Very low33.6Very low96 Ų96135.6 Ų135.667%0.67174%0.735SS**  cis-167.2137.9-30.754.30000109.3
526T29.7Very low33.8Very low114 Ų114137.1 Ų137.170%0.69974%0.735SS**  trans33.5122.1150.356.40000120.5
527N33.4Very low34.1Very low157 Ų157137.7 Ų137.784%0.8474%0.736SS**  -171.2155.3110.1-95.4-40.2000114.5
528Y27.3Very low34.1Very low207 Ų207143.4 Ų143.481%0.81275%0.748SS**  trans-80.9172.7174.8-72-84.5000111.1
529P35.1Very low33.9Very low119 Ų119143 Ų14377%0.77375%0.746SS**  cis-136.5-175.717.843.9-26.1000117.2
530L33.1Very low33.9Very low164 Ų164143 Ų14386%0.85976%0.756SS**  trans-70.1144.7171.4-53.9122.9000112
531D33.9Very low33.7Very low149 Ų149143.7 Ų143.780%0.79776%0.764SS**  -150.4132.4129-165.512.6000111.1R533D531-R533 PolarHBondContact O-N 3.45Å
532G33.2Very low33.8Very low69 Ų69143 Ų14371%0.71177%0.769SS**  trans-94.373.4-162.500000114.2S534G532-S534 VanDerWaalsContact C-N 3.34Å; G532-S534 PolarHBondContact O-N 3.28Å
533R34.3Very low33.7Very low227 Ų227144.3 Ų144.386%0.85777%0.77SS**  trans-72.280.5177-71.7-172.5176.6-173.8-0.4113.3D531 V535D531-R533 PolarHBondContact O-N 3.45Å; R533-V535 PolarHBondContact O-N 3.07Å
534S33.2Very low33.4Very low111 Ų111144.3 Ų144.378%0.77678%0.778SS**  trans-82.885.9162.5-169.70000110.4G532G532-S534 VanDerWaalsContact C-N 3.34Å; G532-S534 PolarHBondContact O-N 3.28Å
535V37.3Very low33.3Very low122 Ų122144.4 Ų144.474%0.73978%0.784SS**  trans-106.6122.1162.71780000106.7R533 P537R533-V535 PolarHBondContact O-N 3.07Å; V535-P537 WeakPolarHBondContact O-CD 3.48Å
536V37.3Very low33.1Very low124 Ų124146 Ų14675%0.75279%0.789SS**  trans-104.498.7176-179.50000109.1
537P36.6Very low33.1Very low109 Ų109146.1 Ų146.171%0.70879%0.79SS**  trans-82.4121.9156.132.7-27.5000108.4V535V535-P537 WeakPolarHBondContact O-CD 3.48Å
538W35.6Very low32.9Very low248 Ų248145.9 Ų145.994%0.93979%0.788SS**  trans-88.4120.3159.177-20.5000108.6
539D31.4Very low33Very low132 Ų132143 Ų14371%0.70679%0.785SS**  trans-159.3123.3169-164.50.1000108.9N541D539-N541 PolarHBondContact OD1-ND2 2.82Å
540S34.8Very low32.6Very low122 Ų122142 Ų14285%0.85378%0.781SS**  trans-177.6103.2168.3-81.60000108.4
541N30.2Very low32.5Very low142 Ų142138.7 Ų138.776%0.75978%0.778SS**  trans-86.1133.5174.7-59.1-87.1000109.9D539D539-N541 PolarHBondContact OD1-ND2 2.82Å
542Q33.4Very low32.4Very low166 Ų166137.6 Ų137.678%0.77678%0.777SS**  trans-160.8140.8154.7-83.4-148.3-57.700108.4
543E32.7Very low32.3Very low156 Ų156139.2 Ų139.273%0.72978%0.777SS**  cis-161137.9-20.8-137.4162.5-117.600107.2
544D31.2Very low32.3Very low164 Ų164132.7 Ų132.788%0.87777%0.767SS**  trans-79.3131.6176.1-89.8-50.7000110.9
545T32.5Very low32.4Very low135 Ų135134.8 Ų134.883%0.82876%0.764SS**  trans-156.5149.5149.8-8.60000112.8
546T28.2Very low32.2Very low128 Ų128136.9 Ų136.979%0.78576%0.763SS**  trans-118.1-165.2-178.151.70000110.4
547V31.3Very low31.8Very low118 Ų118136.4 Ų136.472%0.71576%0.761SS**  trans94.389.6164.9-169.10000117.5
548L28.5Very low31.5Very low151 Ų151137.7 Ų137.779%0.79176%0.761SS**  56.1141.6121.4-63.9176.2000123.8
549L28.3Very low31.2Very low146 Ų146134.3 Ų134.376%0.76476%0.755SS**  trans81.288.5141.2-74165.3000121.9
550S27.2Very low31.2Very low98 Ų98131.2 Ų131.269%0.68575%0.749SS**  80.8134.7110.870.60000123.2
551A30.6Very low31Very low95 Ų95131.9 Ų131.979%0.78574%0.743SS**  trans7215315300000117
552T32Very low31Very low126 Ų126133.1 Ų133.177%0.77374%0.744SS**  cis-140.5149.816.446.10000114.1
553S30.6Very low30.9Very low103 Ų103130.4 Ų130.472%0.7274%0.739SS**  trans42.5130.7134-156.20000119.7
554S35.5Very low30.9Very low91 Ų91129.3 Ų129.364%0.63674%0.738SS**  -172.2143.560-59.40000115.1
555Q34.2Very low30.9Very low154 Ų154127.6 Ų127.672%0.7273%0.727SS**  trans56.1138.9139.2-65.8-177.335.400120.1
556K33.1Very low30.9Very low167 Ų167127 Ų12773%0.72672%0.718SS**  cis-139.5144.76-100.2139.2174.8169.20108.9
557T28.9Very low31Very low114 Ų114129.4 Ų129.470%0.69972%0.717SS**  52.4132.976.58.40000113.9
558L31.4Very low31Very low136 Ų136128.6 Ų128.671%0.71272%0.717SS**  cis-132.3159.915.1-76.6156.8000110
559Q29Very low31.2Very low176 Ų176127.3 Ų127.382%0.82272%0.716SS**  63.6141.761.2-105.1-171.3-0.800113.3
560A31.2Very low31.2Very low68 Ų68125.6 Ų125.656%0.56271%0.714SS**  cis-165.9-174.93.600000112.8
561N31.1Very low31.4Very low136 Ų136127.5 Ų127.573%0.72772%0.715SS**  trans76135.6155.9-56.5-2.6000117.1
562E29.3Very low31.3Very low168 Ų168130 Ų13079%0.78571%0.714SS**  70.2134.451.8-61.9-177.1159.200112.1
563T31.9Very low31.2Very low109 Ų109127.4 Ų127.467%0.66970%0.701SS**  cis-156.7-177.414-11.80000110.9
564D33.3Very low31.3Very low133 Ų133131 Ų13171%0.71171%0.706SS**  trans71.2151.9145.1-76.1-2.4000119.6
565I31.1Very low31.1Very low128 Ų128130.8 Ų130.866%0.65671%0.71SS**  cis-161.4155.6-10.6-127.3168.7000112.3
566I32.3Very low31.2Very low122 Ų122128.8 Ų128.863%0.62671%0.711SS**  trans69.3118155.9-77.4174.8000122.2
567K29.8Very low30.9Very low178 Ų178126.8 Ų126.877%0.77471%0.712SS**  trans39134.5137.3-41.8170.1-165.3170.20119.2
568S31.8Very low30.9Very low102 Ų102128 Ų12871%0.71371%0.713SS**  -170.616253.3-53.70000113.6
569T32Very low30.6Very low124 Ų124127.4 Ų127.476%0.76172%0.716SS**  trans6487.5151.9-50.30000117.5
570C29.1Very low30.4Very low109 Ų109123.5 Ų123.574%0.73671%0.707SS**  85.5142.8101.6-68.50000115
571I31.1Very low30.1Very low138 Ų138125.1 Ų125.171%0.70872%0.715SS**  cis-150.7128.5-5.6-116.6161.4000109.2
572I29.3Very low29.9Very low147 Ų147124.6 Ų124.675%0.75472%0.716SS**  trans37.7132.7137-56.3172.8000119.4
573S29Very low29.8Very low73 Ų73121.5 Ų121.551%0.5171%0.714SS.*  cis178.4158.5-12.161.30000112.9
574H32.5Very low29.7Very low177 Ų177126 Ų12682%0.81972%0.724SS**  trans66.2133.1151.6-53.6-39000118.4
575A32.1Very low29.6Very low87 Ų87125.7 Ų125.772%0.71973%0.73SS**  cis66.7156.911.400000116.8
576P36.1Very low29.4Very low113 Ų113124 Ų12473%0.73472%0.722SS**  cis-109.8-175.6-7.510.915.7000112.4
577T27.3Very low29.4Very low124 Ų124127.2 Ų127.276%0.76173%0.732SS**  cis88.1147.528.3-32.20000115.9
578I28.6Very low29.3Very low141 Ų141127.9 Ų127.972%0.72373%0.729SS**  trans80.2119.8170.2-45.3-178.9000113.6
579T25.1Very low29.1Very low123 Ų123129.9 Ų129.976%0.75573%0.732SS**  cis89.4134.641.8-44.20000114.8
580S24.6Very low29.3Very low93 Ų93130.2 Ų130.265%0.6573%0.733SS**  trans62.2115157.653.20000122.7
581S25.7Very low29.2Very low103 Ų103131.9 Ų131.972%0.7274%0.735SS**  91.8157.8122.878.60000122.9
582T26.5Very low29.2Very low124 Ų124137.2 Ų137.276%0.76175%0.746SS**  trans86.8113.4163.9660000121.7
583S26.8Very low29.1Very low104 Ų104134.3 Ų134.373%0.72774%0.744SS**  trans49.9112.6139.257.30000123.7
584F30.1Very low29Very low202 Ų202140.2 Ų140.289%0.88676%0.761SS**  16.3139.6119.5-78.9-70.3000120.3
585P31Very low28.9Very low128 Ų128137.2 Ų137.283%0.83176%0.76SS**  -143.916286.537.4-21.7000118.6
586D27.7Very low28.6Very low93 Ų93139.9 Ų139.950%0.49776%0.762SS.*  trans-75.4139.4171.9164.741.9000113.2R588D586-R588 IonicContact OD1-NE 3.33Å; D586-R588 IonicContact OD2-CZ 2.71Å; D586-R588 IonicContact OD2-NE 3.84Å; D586-R588 PolarHBondContact OD2-NE 3.48Å; D586-R588 IonicContact OD2-NH2 2.6Å; D586-R588 PolarHBondContact OD2-NH2 2.71Å
587K32Very low28.3Very low189 Ų189142.9 Ų142.982%0.82277%0.767SS**  trans-173.794.6134.7-99.1149.3-168.1168.90115.9
588R27.5Very low28.3Very low191 Ų191144.6 Ų144.672%0.72177%0.766SS**  trans31.8146130.7-57.1172.9-142.9178.55123.4D586D586-R588 IonicContact OD1-NE 3.33Å; D586-R588 IonicContact OD2-CZ 2.71Å; D586-R588 IonicContact OD2-NE 3.84Å; D586-R588 PolarHBondContact OD2-NE 3.48Å; D586-R588 IonicContact OD2-NH2 2.6Å; D586-R588 PolarHBondContact OD2-NH2 2.71Å
589N27.7Very low28.2Very low145 Ų145144.3 Ų144.378%0.77576%0.764SS**  trans80101.4146.5-74.18.8000121
590V35.9Very low28.2Very low130 Ų130143.6 Ų143.679%0.78876%0.764SS**  trans-135130.3134.3179.30000108.6
591N27.6Very low28.3Very low144 Ų144143.9 Ų143.977%0.7777%0.766SS**  trans-113.5127.6171.1-96-10.1000108.7
592W30.5Very low28.3Very low250 Ų250149.9 Ų149.995%0.94778%0.775SS**  trans-138.4156.9161.3-87.382.6000110.1
593A27.5Very low28.5Very low86 Ų86150 Ų15071%0.71178%0.777SS**  trans-118.9167.4-16100000114
594F26.3Very low28.6Very low197 Ų197151.9 Ų151.986%0.86478%0.779SS**  trans-13.3131.6171.4-65.5-91.2000118.5
595S29.6Very low28.4Very low115 Ų115150.6 Ų150.680%0.80478%0.775SS**  trans-144.3125.7136.1-170.20000110
596N26.1Very low28.4Very low143 Ų143153.5 Ų153.577%0.76578%0.775SS**  trans-92.2118.7168.2-84.1-18.8000108.5
597Q29.8Very low28.5Very low176 Ų176157.3 Ų157.382%0.82280%0.795SS**  trans-166.7123.8147.5-112157.745.400114.8
598H27.6Very low28.4Very low159 Ų159154.7 Ų154.774%0.73679%0.789SS**  trans62.6118136.7-82.7-123.7000122.8
599I25.6Very low28.6Very low135 Ų135150.5 Ų150.569%0.69279%0.789SS**  74129130-64177.4000118.8
600S25.5Very low28.8Very low109 Ų109150.7 Ų150.776%0.76279%0.79SS**  trans64.2154162.271.20000116.2
601S27.4Very low28.4Very low99 Ų99151.3 Ų151.369%0.69279%0.789SS**  cis-159156.8-20.336.50000106.8P603S601-P603 WeakPolarHBondContact O-CD 3.33Å; S601-P603 VanDerWaalsContact O-N 3.13Å
602Y26Very low28.5Very low229 Ų229150.8 Ų150.890%0.89879%0.785SS**  trans-55.9117.8174.1-73-86.1000110.8L604Y602-L604 PolarHBondContact O-N 3.12Å; Y602-L604 VanDerWaalsContact O-N 3.16Å
603P30.3Very low28.3Very low125 Ų125145.5 Ų145.581%0.81278%0.775SS**  trans-79.497.2167.8-3.323.3000107.3S601S601-P603 WeakPolarHBondContact O-CD 3.33Å; S601-P603 VanDerWaalsContact O-N 3.13Å
604L27.8Very low28.4Very low145 Ų145145.9 Ų145.976%0.75977%0.773SS**  trans-69.6159153-162.171.3000107.9Y602Y602-L604 PolarHBondContact O-N 3.12Å; Y602-L604 VanDerWaalsContact O-N 3.16Å
605E27.4Very low28.7Very low174 Ų174141.7 Ų141.781%0.81376%0.764SS**  trans69.9117.6170.8-50-174.1171.200116.3
606K30Very low28.7Very low189 Ų189143.5 Ų143.582%0.82276%0.764SS**  trans-152.889.5145.8-151.2177.8-169.3-177.30111.8
607L30.1Very low29Very low174 Ų174142.4 Ų142.491%0.91177%0.765SS**  trans-158.582.2155.2-114.4171.3000108.7
608D30.2Very low29Very low133 Ų133140.7 Ų140.771%0.71177%0.766SS**  trans-62.1138.1173.8-54.2-93.1000111.3
609S30.8Very low29.1Very low103 Ų103140 Ų14072%0.7277%0.767SS**  162.3157.2103.552.50000114
610L33Very low29.1Very low150 Ų150140.3 Ų140.379%0.78577%0.769SS**  trans72.2106.2175.3-45.7179.9000114.2
611N28Very low29.4Very low143 Ų143145.1 Ų145.177%0.76578%0.776SS**  64136.874.1-71.8-21.5000113.5
612L29.3Very low29.4Very low133 Ų133149.8 Ų149.870%0.69678%0.784SS**  cis-149.516120-157.674000112.5
613D27Very low29.6Very low138 Ų138147.6 Ų147.674%0.73878%0.782SS**  trans13.7135.3159.1-69.1-43000122
614S28.6Very low29.3Very low95 Ų95147.3 Ų147.366%0.66478%0.783SS**  174.4130.485.4-167.10000115.9
615T31.9Very low29.5Very low109 Ų109145.9 Ų145.967%0.66978%0.78SS**  trans40.4112.4146.5620000122.6
616N30.7Very low29.4Very low152 Ų152146.7 Ų146.781%0.81378%0.781SS**  165.9120.996.3-88.6-56.1000114.7
617P31.4Very low29.4Very low121 Ų121146.6 Ų146.679%0.78678%0.781SS**  trans-118.1133.8173.237.3-26000115
618V31.7Very low29.4Very low140 Ų140146.2 Ų146.285%0.84877%0.774SS**  trans-144.3107168.1-176.20000107.6
619L28.8Very low29.2Very low144 Ų144147.1 Ų147.175%0.75477%0.774SS**  87.19761.3-164.383.4000114.5
620I25.3Very low29.3Very low141 Ų141147.9 Ų147.972%0.72378%0.779SS**  trans47.5120.6144.5-51.6171.3000119.1
621K32.1Very low29Very low211 Ų211147.4 Ų147.492%0.91778%0.777SS**  trans-149137.8135.3-114.8161.4-171171.60112.4
622K27.6Very low29Very low197 Ų197151.8 Ų151.886%0.85778%0.783SS**  trans-78.4146.1175.5-63.3174.1178.4175.20110
623Q30.5Very low29Very low182 Ų182151.2 Ų151.285%0.8578%0.78SS**  trans-147.8119.7149.2-148.6168.516.800111V625Q623-V625 HydrophobicContact CG-CG2 4.47Å
624S24.1Very low29Very low120 Ų120152 Ų15284%0.83978%0.779SS**  trans-103.2127170.7-55.80000108.6
625V31.6Very low28.9Very low114 Ų114153.2 Ų153.269%0.69178%0.779SS**  trans-134.1132.6168.9-177.20000108.6Q623 F627Q623-V625 HydrophobicContact CG-CG2 4.47Å; V625-F627 HydrophobicContact CG1-CD2 4.27Å; V625-F627 HydrophobicContact CG1-CE2 4.47Å
626K26.1Very low28.9Very low191 Ų191153.6 Ų153.683%0.8378%0.776SS**  trans-101.5135.5175.2-54.9172.8179.1179.50109.3
627F28.9Very low29Very low188 Ų188154.6 Ų154.683%0.82578%0.776SS**  trans-169.5145.4153.5-79.4-63.7000108V625V625-F627 HydrophobicContact CG1-CD2 4.27Å; V625-F627 HydrophobicContact CG1-CE2 4.47Å
628H31Very low28.9Very low166 Ų166158 Ų15877%0.76978%0.779SS**  cis-149.1156.7-26.3-166.3-82.5000108.4
629E26Very low28.9Very low151 Ų151156.7 Ų156.771%0.70678%0.776SS**  trans-87.7147.7-178.8179.5179.8-177.700112.7
630S32.7Very low28.7Very low119 Ų119156.8 Ų156.883%0.83278%0.777SS**  trans-170.5134.5152.3-85.40000112.9
631N25.6Very low28.9Very low140 Ų140156.1 Ų156.175%0.74978%0.779SS**  trans-96.9152176-68-80.2000111.7
632R27.8Very low28.6Very low235 Ų235152 Ų15289%0.88777%0.772SS**  trans164.2150.3148.7-97.1-180163.3-156.6-6.5110.8
633L29Very low28.7Very low121 Ų121149 Ų14963%0.63477%0.77SS**  cis-164.5142.9-27-121.9-177.4000108.3
634Q27.6Very low28.5Very low155 Ų155145.9 Ų145.972%0.72476%0.763SS**  trans45.7143.6147.1-90.4174.6-29.600124.3
635N27.4Very low28.5Very low121 Ų121150.3 Ų150.365%0.64776%0.762SS**  trans73.2148.5149.7-69.538.7000118.2
636D31.7Very low28.4Very low116 Ų116149.4 Ų149.462%0.6276%0.758SS**  cis-152.2165.7-0.6-131.7-30.5000116.2
637Q32.5Very low28.4Very low173 Ų173147.9 Ų147.981%0.80876%0.759SS**  trans64.5137.7153.1-75.117153.400123.1
638K28.4Very low28.4Very low193 Ų193147.7 Ų147.784%0.83976%0.758SS**  trans-82.9160.8175.3-61.2165175170.30111.7
639S31.6Very low28.3Very low113 Ų113147.1 Ų147.179%0.7976%0.76SS**  trans-135.9148.4136.558.50000110.2
640N26.1Very low28.3Very low146 Ų146144.6 Ų144.678%0.78176%0.759SS**  trans-99.5138.3178.4-58.9-41.3000109.2
641V29.6Very low28.2Very low126 Ų126146.4 Ų146.476%0.76476%0.76SS**  trans-131.7116.3165.3-178.80000110.1
642T25Very low28.4Very low126 Ų126149 Ų14977%0.77377%0.765SS**  trans-74.9129.8170.6-56.50000109.6
643V29.2Very low28.5Very low133 Ų133145.3 Ų145.381%0.80676%0.761SS**  trans-109.8106.4172.8-178.20000109.9
644T26.7Very low28.4Very low117 Ų117146 Ų14672%0.71877%0.765SS**PPolyproline II helixtrans-79.3145.7177.7-48.70000110.8P646T644-P646 WeakPolarHBondContact O-CD 3.3Å
645R23.8Very low28.5Very low212 Ų212146.1 Ų146.180%0.877%0.768SS**PPolyproline II helixtrans-61.1129.7177.2-74.1176168.4158.2-5.7112.3
646P28.9Very low28.6Very low96 Ų96148.4 Ų148.462%0.62377%0.773SS**PPolyproline II helixtrans-82.5136.9158.3-321.8000110.4T644 F648T644-P646 WeakPolarHBondContact O-CD 3.3Å; P646-F648 HydrophobicContact CB-CD2 4.31Å; P646-F648 HydrophobicContact CB-CE2 3.81Å; P646-F648 HydrophobicContact CB-CZ 4.37Å; P646-F648 HydrophobicContact CG-CE2 4.13Å
647N26.2Very low28.5Very low159 Ų159148.2 Ų148.285%0.8578%0.78SS**PPolyproline II helixtrans-84.2131.1163-64.2-38.3000108.2
648F29.9Very low28.3Very low183 Ų183146.5 Ų146.580%0.80378%0.782SS**PPolyproline II helixtrans-103.6131.1176-81.5-83.9000111.8P646P646-F648 HydrophobicContact CB-CD2 4.31Å; P646-F648 HydrophobicContact CB-CE2 3.81Å; P646-F648 HydrophobicContact CB-CZ 4.37Å; P646-F648 HydrophobicContact CG-CE2 4.13Å
649L28.2Very low28.4Very low154 Ų154148 Ų14881%0.80678%0.782SS**  trans-116.4135.7174.2-81.2163.7000109.2
650S27.2Very low28.2Very low98 Ų98147.8 Ų147.869%0.68578%0.778SS**  trans53.476147.3-53.40000118.6F652S650-F652 PolarHBondContact O-N 2.71Å; S650-F652 VanDerWaalsContact O-N 3.07Å
651D29.7Very low28.4Very low158 Ų158148.1 Ų148.185%0.84578%0.78SS**  trans-73.493166.5-74.8-44.7000112.6
652F29.2Very low28.4Very low195 Ų195150.9 Ų150.986%0.85578%0.784SS**  trans-94.9109.8157.8-83.4-82.8000109.5S650 L654S650-F652 PolarHBondContact O-N 2.71Å; S650-F652 VanDerWaalsContact O-N 3.07Å; F652-L654 PolarHBondContact O-N 2.89Å
653I30.2Very low28.5Very low156 Ų156150.6 Ų150.680%0.878%0.784SS**  trans-72.697178.9-59.7179.5000110.1I655I653-I655 PolarHBondContact O-N 3.38Å
654L26.8Very low28.7Very low137 Ų137149.5 Ų149.572%0.71778%0.783SS**  trans-80.299.8172.3-177.771.9000110.5F652 K656F652-L654 PolarHBondContact O-N 2.89Å; L654-K656 HydrophobicContact CD2-CG 4.28Å; L654-K656 HydrophobicContact CG-CG 4.42Å; L654-K656 PolarHBondContact O-N 3.42Å; L654-K656 VanDerWaalsContact O-N 3.1Å
655I30.2Very low28.9Very low156 Ų156151 Ų15180%0.879%0.785SS**  trans-66.3108.1170.8-57176.1000108.8I653I653-I655 PolarHBondContact O-N 3.38Å
656K30.4Very low29.3Very low170 Ų170150.7 Ų150.774%0.73979%0.789SS**  trans-87.2128.4173.3-74.6-175.2178.1176.40110.7L654L654-K656 HydrophobicContact CD2-CG 4.28Å; L654-K656 HydrophobicContact CG-CG 4.42Å; L654-K656 PolarHBondContact O-N 3.42Å; L654-K656 VanDerWaalsContact O-N 3.1Å
657S28Very low29.5Very low111 Ų111156.7 Ų156.778%0.77680%0.8SS**  trans-66.8144.1177.1-172.80000112.3R659S657-R659 PolarHBondContact O-N 2.91Å
658T29.5Very low29.8Very low138 Ų138157.7 Ų157.785%0.84780%0.804SS**SBendtrans-92.963.4-172.942.40000112.9
659R29.8Very low30Very low224 Ų224155.2 Ų155.285%0.84580%0.798SS**  trans-138.2126.3163.6-67.4-169.6-179.2-177.40.8111.4S657S657-R659 PolarHBondContact O-N 2.91Å
660P27.7Very low30.1Very low108 Ų108150.7 Ų150.770%0.70178%0.779SS**  trans-72.4-173.6160.134.4-34.2000110.4
661D30.2Very low30.7Very low153 Ų153151.5 Ų151.582%0.81878%0.782SS**  trans72.244.3165.1-48.6-28.1000118.3
662Q30.8Very low31.3Very low185 Ų185148.7 Ų148.786%0.86477%0.767SS**  trans-156.2132.6143.4-124.2-177.923.900114.5
663P27Very low31.8Very low119 Ų119144.6 Ų144.677%0.77375%0.754SS**  trans-97.9127169.834.6-29.1000112
664S32.1Very low32.4Very low111 Ų111144.3 Ų144.378%0.77675%0.753SS**  trans-159.3115.3160.7-88.90000114.4
665I32Very low33.2Very low148 Ų148145.1 Ų145.176%0.75975%0.751SS**  trans19.3108.5144.6-52.1173.5000116.6R667I665-R667 PolarHBondContact O-N 3.42Å
666K32.1Very low33.4Very low205 Ų205143.9 Ų143.989%0.89175%0.746SS**  trans-76.4119.1161.7-66.1-179.1-179.91800110.5
667R31.7Very low33.8Very low222 Ų222144.8 Ų144.884%0.83875%0.753SS**  trans-116.9124.1149.3-82.6-174.3168.5125.5-2.3107.8I665I665-R667 PolarHBondContact O-N 3.42Å
668L33.3Very low34.2Very low180 Ų180151.1 Ų151.194%0.94276%0.76SS**PPolyproline II helixtrans-78119.9170.6-74.4168.7000107.6
669I34.3Very low34.6Very low131 Ų131150 Ų15067%0.67275%0.753SS**PPolyproline II helixtrans-83.8143.8173.2-66.4176.7000108D673I669-D673 HydrophobicContact CG2-CB 3.57Å; I669-D673 WeakPolarHBondContact CG2-OD2 3.42Å
670S30.5Very low35.1Very low59 Ų59146.2 Ų146.241%0.41375%0.748SS.*PPolyproline II helixtrans-75.9149.2-176.4-170.10000111.1D672 D673S670-D672 PolarHBondContact O-N 2.77Å; S670-D673 WeakPolarHBondContact CB-OD2 3.42Å; S670-D673 PolarHBondContact N-OD2 3.15Å; S670-D673 PolarHBondContact O-N 3.48Å; S670-D673 VanDerWaalsContact O-N 3.11Å
671P40Very low35.3Very low115 Ų115152.8 Ų152.875%0.74776%0.759SS**THydrogen-bonded Turntrans-55.5-16.5172.7-27.536.6000115.3
672D41.9Very low35.5Very low99 Ų99154.2 Ų154.253%0.52976%0.758SS.*THydrogen-bonded Turntrans-81.7-21.7177.7-77.5-64.2000115.1S670 L674 K675S670-D672 PolarHBondContact O-N 2.77Å; D672-L674 PolarHBondContact O-N 3.23Å; D672-K675 IonicContact OD1-NZ 2.79Å; D672-K675 PolarHBondContact OD1-NZ 3.44Å
673D40.2Very low35.8Very low109 Ų109153.4 Ų153.458%0.58375%0.754SS**THydrogen-bonded Turntrans-74.3-9.8-171.9-67.4-52.4000113.9I669 S670 K675I669-D673 HydrophobicContact CG2-CB 3.57Å; I669-D673 WeakPolarHBondContact CG2-OD2 3.42Å; S670-D673 WeakPolarHBondContact CB-OD2 3.42Å; S670-D673 PolarHBondContact N-OD2 3.15Å; S670-D673 PolarHBondContact O-N 3.48Å; S670-D673 VanDerWaalsContact O-N 3.11Å; D673-K675 VanDerWaalsContact C-N 3.31Å; D673-K675 PolarHBondContact O-N 3.1Å
674L42.6Very low35.9Very low150 Ų150157.1 Ų157.179%0.78575%0.754SS**THydrogen-bonded Turntrans-83.14.6-176.2-81.9163.5000115D672 N676D672-L674 PolarHBondContact O-N 3.23Å; L674-N676 VanDerWaalsContact C-N 3.34Å; L674-N676 PolarHBondContact O-N 2.93Å
675K43.1Very low35.6Very low154 Ų154159.6 Ų159.667%0.6776%0.758SS**  trans-84.213.3-169.1-69.7170.2179.8167.70116.2D672 D673D672-K675 IonicContact OD1-NZ 2.79Å; D672-K675 PolarHBondContact OD1-NZ 3.44Å; D673-K675 VanDerWaalsContact C-N 3.31Å; D673-K675 PolarHBondContact O-N 3.1Å
676N35.2Very low35.7Very low130 Ų130159.5 Ų159.570%0.69576%0.758SS**  trans-129.3105.9-177.6-82.9-49000113.2L674 R678L674-N676 VanDerWaalsContact C-N 3.34Å; L674-N676 PolarHBondContact O-N 2.93Å; N676-R678 PolarHBondContact O-N 3.14Å
677E36.8Very low35.7Very low190 Ų190155.4 Ų155.489%0.88875%0.75SS**THydrogen-bonded Turntrans-61.4-8.1-173.8-67.2-175.2113.600116.8
678R38.2Very low35.4Very low243 Ų243151.3 Ų151.392%0.91775%0.745SS**THydrogen-bonded Turntrans-92.8-4.5-165.8-71-176.7173.8171.2-1.1115.9N676N676-R678 PolarHBondContact O-N 3.14Å
679T37.7Very low35.1Very low116 Ų116148.6 Ų148.671%0.71273%0.731SS**SBendtrans-101.8-9.1-170-34.10000114.5R681T679-R681 PolarHBondContact O-N 3.31Å
680I38.6Very low35.1Very low144 Ų144150 Ų15074%0.73874%0.735SS**  trans-78.6-18.2-166.5-64172.8000113.8K682I680-K682 VanDerWaalsContact C-N 3.35Å; I680-K682 PolarHBondContact O-N 3.33Å; I680-K682 VanDerWaalsContact O-N 3.09Å
681R33.8Very low34.9Very low245 Ų245153.6 Ų153.693%0.92575%0.749SS**THydrogen-bonded Turntrans-8330.5-169.9-68.5-170.6173-165.5-2.2116.6T679T679-R681 PolarHBondContact O-N 3.31Å
682K34.4Very low34.6Very low183 Ų183156 Ų15680%0.79676%0.755SS**THydrogen-bonded Turntrans-135.910.3-172.7-90.2-166.2174.6-175.10119.5I680I680-K682 VanDerWaalsContact C-N 3.35Å; I680-K682 PolarHBondContact O-N 3.33Å; I680-K682 VanDerWaalsContact O-N 3.09Å
683H35.6Very low33.7Very low169 Ų169158.5 Ų158.578%0.78277%0.768SS**SBendtrans-124.2114.3171.9-72.4-83.9000112.8
684Y29.7Very low33.2Very low197 Ų197161.4 Ų161.477%0.77378%0.779SS**  trans7.1122.5158.5-55.5-92.3000117.5
685N26Very low32.2Very low163 Ų163159.3 Ų159.387%0.87278%0.776SS**  cis68.366.118.4-140.534.9000115.4
686I33.5Very low31.5Very low146 Ų146157.3 Ų157.375%0.74978%0.777SS**  trans-132.7109.4158.4-63.8-176.4000109.3
687T32.7Very low30.9Very low119 Ų119158.4 Ų158.473%0.7378%0.782SS**  trans-8158.8150.452.90000120.7
688N26Very low30.4Very low136 Ų136156.1 Ų156.173%0.72778%0.775SS**  cis-177156-29.6-134.123.7000108
689N27.3Very low29.8Very low122 Ų122151.3 Ų151.365%0.65276%0.763SS**  trans65.1156.2168.6-48.40.5000115.1
690H33Very low29.3Very low161 Ų161152.2 Ų152.275%0.74576%0.763SS**  cis-125.9165.95.6-104.3-67000112.9
691D27.1Very low28.8Very low135 Ų135152.5 Ų152.572%0.72276%0.762SS**  trans-61.3147.5175.8-42.7-101.6000113.5
692L32.3Very low28.6Very low166 Ų166149.1 Ų149.187%0.86976%0.756SS**  -164.1132.4122.5-109.3161.2000111.3
693N24.5Very low28.4Very low151 Ų151149.4 Ų149.481%0.80776%0.76SS**  trans-69.4132.8171.9-67-67.2000110
694Q28.5Very low28Very low170 Ų170149.8 Ų149.879%0.79477%0.768SS**  trans-147.992153.7-135.5159.988.800112.2V696Q694-V696 PolarHBondContact O-N 3.18Å
695S22.8Very low28Very low105 Ų105148.7 Ų148.773%0.73477%0.77SS**  trans-59118.4156.547.40000109.6L697S695-L697 VanDerWaalsContact C-N 3.29Å; S695-L697 PolarHBondContact O-N 2.89Å
696V27.2Very low28.4Very low112 Ų112151 Ų15168%0.67977%0.773SS**  trans-98.757.7170.6-167.20000109.6Q694 L698Q694-V696 PolarHBondContact O-N 3.18Å; V696-L698 VanDerWaalsContact C-N 3.32Å; V696-L698 HydrophobicContact CG1-CD1 3.89Å; V696-L698 HydrophobicContact CG1-CG 3.85Å; V696-L698 PolarHBondContact O-N 3.42Å
697L23.7Very low28.1Very low154 Ų154149.9 Ų149.981%0.80677%0.772SS**  trans-77.491.2150.1-99.8166.8000105.9S695 Q699S695-L697 VanDerWaalsContact C-N 3.29Å; S695-L697 PolarHBondContact O-N 2.89Å; L697-Q699 PolarHBondContact O-N 3.02Å
698L26Very low28.1Very low141 Ų141148.9 Ų148.974%0.73877%0.768SS**  trans-79.583.2167.3-79.4169.8000108.5V696 N700V696-L698 VanDerWaalsContact C-N 3.32Å; V696-L698 HydrophobicContact CG1-CD1 3.89Å; V696-L698 HydrophobicContact CG1-CG 3.85Å; V696-L698 PolarHBondContact O-N 3.42Å; L698-N700 PolarHBondContact O-N 2.82Å
699Q25.4Very low28.3Very low142 Ų142152.1 Ų152.166%0.66478%0.776SS**  trans-69.684.8161.5175.8169.1-21.400107.7L697 E701L697-Q699 PolarHBondContact O-N 3.02Å; Q699-E701 VanDerWaalsContact C-N 3.34Å; Q699-E701 HydrophobicContact CG-CG 4.12Å; Q699-E701 PolarHBondContact NE2-OE1 2.81Å; Q699-E701 PolarHBondContact O-N 3.17Å; Q699-E701 VanDerWaalsContact O-N 3.13Å
700N27.8Very low28.4Very low136 Ų136153.6 Ų153.673%0.72778%0.782SS**  trans-71.898.3159.2-76.616.8000106.7L698L698-N700 PolarHBondContact O-N 2.82Å
701E27.9Very low28.2Very low150 Ų150155.7 Ų155.770%0.70179%0.785SS**  trans-66.5148.8153.6-75.6168.9-179.300108.5Q699Q699-E701 VanDerWaalsContact C-N 3.34Å; Q699-E701 HydrophobicContact CG-CG 4.12Å; Q699-E701 PolarHBondContact NE2-OE1 2.81Å; Q699-E701 PolarHBondContact O-N 3.17Å; Q699-E701 VanDerWaalsContact O-N 3.13Å
702E29.6Very low28.2Very low174 Ų174154.3 Ų154.381%0.81379%0.786SS**SBendtrans75.5123.8-169.3-49.1-171.816400116.1
703Q29.6Very low28.1Very low189 Ų189152.7 Ų152.788%0.88378%0.782SS**  trans82.2104173.6-48.8-166.418.700118.1E705Q703-E705 PolarHBondContact O-N 3.01Å; Q703-E705 VanDerWaalsContact O-N 3.15Å
704D28.2Very low28.1Very low177 Ų177154.6 Ų154.695%0.94778%0.784SS**  trans-72.886.8172.7-71.8-70.6000113
705E29.1Very low28.1Very low174 Ų174152.2 Ų152.281%0.81378%0.776SS**  trans-144.5129.3166.4-150.5172.5-149.300114.7Q703 V707Q703-E705 PolarHBondContact O-N 3.01Å; Q703-E705 VanDerWaalsContact O-N 3.15Å; E705-V707 PolarHBondContact O-N 3.42Å
706F33.5Very low28.5Very low212 Ų212153 Ų15393%0.9378%0.779SS**  trans-8998.5-178-86.8-89.7000112.3
707V28.7Very low28.8Very low121 Ų121153 Ų15373%0.73378%0.779SS**PPolyproline II helixtrans-77.7124.3175.5-176.30000111.7E705E705-V707 PolarHBondContact O-N 3.42Å
708P32.7Very low29.2Very low98 Ų98153.2 Ų153.264%0.63678%0.781SS**PPolyproline II helixtrans-81.5124178.131.1-33.3000112.5I710P708-I710 PolarHBondContact O-N 2.91Å
709F29Very low29.5Very low204 Ų204152.7 Ų152.790%0.89578%0.778SS**PPolyproline II helixtrans-66.7117.1173.5-86.7-93.1000112.2
710I29.6Very low29.8Very low153 Ų153152.7 Ų152.779%0.78578%0.782SS**PPolyproline II helixtrans-97.8120.8169.2-59.7176.3000108.7P708 S712P708-I710 PolarHBondContact O-N 2.91Å; I710-S712 PolarHBondContact O-N 3.5Å
711Y29.8Very low30Very low205 Ų205153.5 Ų153.580%0.80478%0.782SS**  trans-69.3115.3172.6-80.5-87.9000110.6V713Y711-V713 PolarHBondContact O-N 2.84Å
712S25.4Very low30.3Very low106 Ų106155.3 Ų155.374%0.74179%0.789SS**  trans-81.8105177.4-170.90000111I710 K714I710-S712 PolarHBondContact O-N 3.5Å; S712-K714 PolarHBondContact O-N 2.82Å
713V30.5Very low30.4Very low132 Ų132153.4 Ų153.480%0.879%0.785SS**  trans-80.2108.7176.9179.80000109.7Y711 D715Y711-V713 PolarHBondContact O-N 2.84Å; V713-D715 PolarHBondContact O-N 2.68Å; V713-D715 VanDerWaalsContact O-N 3.11Å
714K26Very low30.3Very low191 Ų191154.6 Ų154.683%0.8378%0.781SS**SBendtrans-80.682.4173.9-67.5-179.7178.5178.30110.9S712S712-K714 PolarHBondContact O-N 2.82Å
715D28Very low30.4Very low120 Ų120154.6 Ų154.664%0.64278%0.775SS**  trans179.1112135.9-93.8-19.2000110.9V713 T717V713-D715 PolarHBondContact O-N 2.68Å; V713-D715 VanDerWaalsContact O-N 3.11Å; D715-T717 VanDerWaalsContact C-N 3.31Å; D715-T717 PolarHBondContact O-N 3.17Å
716P29.9Very low30.4Very low121 Ų121153.4 Ų153.479%0.78677%0.774SS**THydrogen-bonded Turntrans-8611-169.134.5-36.8000115
717T34.1Very low30.1Very low113 Ų113151.2 Ų151.269%0.69377%0.771SS**THydrogen-bonded Turntrans-107.5-6.3-164.2470000115.9D715D715-T717 VanDerWaalsContact C-N 3.31Å; D715-T717 PolarHBondContact O-N 3.17Å
718L33.2Very low30.2Very low159 Ų159152.2 Ų152.283%0.83277%0.771SS**  trans-107.717-176.1-63179.4000114.8N720L718-N720 PolarHBondContact O-N 3.41Å
719L32Very low30Very low130 Ų130154.9 Ų154.968%0.68178%0.78SS**  trans-86.2100.4-179.4-109163.2000112.3N723L719-N723 HydrophobicContact CD2-CB 4.36Å
720N31.9Very low29.9Very low141 Ų141150.2 Ų150.275%0.75477%0.772SS**  trans-69.4156.2-176.8-145.1-25.4000113L718 H722L718-N720 PolarHBondContact O-N 3.41Å; N720-H722 VanDerWaalsContact C-N 3.32Å; N720-H722 PolarHBondContact O-N 2.64Å
721H31.6Very low29.8Very low154 Ų154151.8 Ų151.871%0.71378%0.776SS**THydrogen-bonded Turntrans-73.155.3-160.6-83-71.4000117.1
722H34.2Very low29.8Very low187 Ų187146.5 Ų146.587%0.86677%0.767SS**THydrogen-bonded Turntrans-137.9-6.2169.9-105.629.8000116.4N720N720-H722 VanDerWaalsContact C-N 3.32Å; N720-H722 PolarHBondContact O-N 2.64Å
723N31.6Very low29.9Very low134 Ų134150.1 Ų150.172%0.71777%0.772SS**  trans-120.548.5179.3-66.9-29.4000111.9L719L719-N723 HydrophobicContact CD2-CB 4.36Å
724R28.4Very low29.8Very low214 Ų214150.3 Ų150.381%0.80877%0.768SS**  trans-115.635.9-172.4-123-168.7-167.1-138.15.2115.4
725E28.9Very low29.9Very low177 Ų177149.9 Ų149.983%0.82777%0.769SS**SBendtrans-140.4164.6161.4-70-161.6148.500110.8
726L30.4Very low29.8Very low150 Ų150149.1 Ų149.179%0.78577%0.773SS**  trans71.438.2170.6-48.3-174.4000117.8
727L27.4Very low29.6Very low165 Ų165150.8 Ų150.886%0.86478%0.775SS**SBend-100153.3120.4-93166.3000107.6
728I30Very low29.4Very low142 Ų142154.1 Ų154.173%0.72878%0.783SS**SBendtrans80.9105.3-171.6-50166.3000114.1
729N28.6Very low29.5Very low155 Ų155156 Ų15683%0.82979%0.788SS**  trans66.9153.6152.4-59.3-5.4000120.9
730S26Very low29.8Very low105 Ų105155.1 Ų155.173%0.73478%0.782SS**  trans-107.8116.6-171.751.80000112.7
731H28.3Very low30.4Very low186 Ų186153 Ų15386%0.86177%0.771SS**  trans-172.3167.2134.8-114.3-113.1000109.7
732P29.2Very low31.6Very low95 Ų95149.8 Ų149.862%0.61776%0.762SS**  trans-102.9173.1-162.340.3-36.4000115.6
733E26.9Very low32.9Very low181 Ų181144 Ų14485%0.84675%0.747SS**  trans70.6130.5170.9-49.1-168.2107.700115.1
734L29Very low34.4Very low137 Ų137144.5 Ų144.572%0.71774%0.738SS**  cis-144.914030.1-76.7165.6000114.9
735Q27.4Very low35.8Very low181 Ų181137.7 Ų137.785%0.84672%0.718SS**  trans31.3123.5140.5-54.1-17910.100121.8
736S26.2Very low37.6Very low105 Ų105135.1 Ų135.173%0.73470%0.704SS**  -166.8156.5107.857.20000114.3
737N26.5Very low39.1Very low155 Ų155129.3 Ų129.383%0.82968%0.677SS**  trans58.158.6153.3-61.3-17.8000120.8
738Q30.5Very low41.1Very low183 Ų183124.9 Ų124.986%0.85565%0.652SS**SBendtrans-132151.9136.2-74.4-160.7-4.400111I740Q738-I740 PolarHBondContact O-N 2.85Å
739Q34.2Very low42.7Very low200 Ų200123 Ų12394%0.93564%0.64SS**  trans-73.986.4-171.1-172.8175.3-300111.4D741Q739-D741 PolarHBondContact O-N 3.02Å
740I38.2Very low44.2Very low110 Ų110124.3 Ų124.356%0.56463%0.634SS**  trans-60.4124.6176.1-67.4170.8000109.6Q738 V742 L745Q738-I740 PolarHBondContact O-N 2.85Å; I740-V742 PolarHBondContact O-N 2.88Å; I740-L745 HydrophobicContact CG2-CB 4.17Å; I740-L745 HydrophobicContact CG2-CD1 4.32Å; I740-L745 HydrophobicContact CG2-CD2 4.39Å
741D44.3Very low45.9Very low97 Ų97123.7 Ų123.752%0.51962%0.621SS.*  trans-63.8110.6170.9174.419.7000109.9Q739 A743 W744 L745Q739-D741 PolarHBondContact O-N 3.02Å; D741-A743 PolarHBondContact O-N 3.42Å; D741-A743 VanDerWaalsContact OD1-CB 3.29Å; D741-A743 WeakPolarHBondContact OD1-CB 3.35Å; D741-A743 PolarHBondContact OD1-N 3.33Å; D741-W744 HydrophobicContact CB-CB 3.95Å; D741-W744 WeakPolarHBondContact O-CB 3.43Å; D741-W744 PolarHBondContact O-N 2.87Å; D741-W744 VanDerWaalsContact O-N 3.07Å; D741-W744 PolarHBondContact OD2-N 3.16Å; D741-W744 VanDerWaalsContact OD2-N 3.17Å; D741-L745 PolarHBondContact O-N 3.14Å
742V58.1Low46.9Very low87 Ų87120.8 Ų120.853%0.52761%0.608SS.*Hα-helixtrans-62.4-24.6178.7179.30000111.3I740 K746I740-V742 PolarHBondContact O-N 2.88Å; V742-K746 HydrophobicContact CG1-CD 3.96Å; V742-K746 HydrophobicContact CG1-CG 4.49Å; V742-K746 VanDerWaalsContact O-CB 3.27Å; V742-K746 WeakPolarHBondContact O-CB 3.32Å; V742-K746 WeakPolarHBondContact O-CD 3.29Å; V742-K746 WeakPolarHBondContact O-CG 3.23Å; V742-K746 PolarHBondContact O-N 3Å; V742-K746 VanDerWaalsContact O-N 3.15Å
743A60.9Low47.9Very low65 Ų65121.8 Ų121.854%0.53761%0.608SS.*Hα-helixtrans-74.7-38.5173.100000112.2D741 A747D741-A743 PolarHBondContact O-N 3.42Å; D741-A743 VanDerWaalsContact OD1-CB 3.29Å; D741-A743 WeakPolarHBondContact OD1-CB 3.35Å; D741-A743 PolarHBondContact OD1-N 3.33Å; A743-A747 WeakPolarHBondContact O-CB 3.37Å; A743-A747 PolarHBondContact O-N 2.85Å
744W62.2Low49Very low144 Ų144118.6 Ų118.655%0.54560%0.595SS.*Hα-helixtrans-63.7-50.1172-172.987.8000111.5D741 K746 A747 Q748D741-W744 HydrophobicContact CB-CB 3.95Å; D741-W744 WeakPolarHBondContact O-CB 3.43Å; D741-W744 PolarHBondContact O-N 2.87Å; D741-W744 VanDerWaalsContact O-N 3.07Å; D741-W744 PolarHBondContact OD2-N 3.16Å; D741-W744 VanDerWaalsContact OD2-N 3.17Å; W744-K746 VanDerWaalsContact C-N 3.32Å; W744-K746 PolarHBondContact O-N 3.14Å; W744-A747 WeakPolarHBondContact O-CA 3.33Å; W744-A747 WeakPolarHBondContact O-CB 3.2Å; W744-A747 PolarHBondContact O-N 2.58Å; W744-Q748 HydrophobicContact CH2-CG 4.38Å; W744-Q748 HydrophobicContact CZ3-CG 4.45Å; W744-Q748 PolarHBondContact O-N 3.24Å; W744-Q748 PolarHBondContact O-OE1 2.85Å
745L58.7Low49.8Very low72 Ų72116.9 Ų116.938%0.37759%0.587SS.*Hα-helixtrans-62.7-38.9-179.3-154.874.8000112I740 D741 A747 Q748 Q749I740-L745 HydrophobicContact CG2-CB 4.17Å; I740-L745 HydrophobicContact CG2-CD1 4.32Å; I740-L745 HydrophobicContact CG2-CD2 4.39Å; D741-L745 PolarHBondContact O-N 3.14Å; L745-A747 VanDerWaalsContact C-N 3.29Å; L745-A747 PolarHBondContact O-N 2.8Å; L745-Q748 PolarHBondContact O-N 3.38Å; L745-Q749 WeakPolarHBondContact O-CB 3.11Å; L745-Q749 WeakPolarHBondContact O-CG 3.48Å; L745-Q749 PolarHBondContact O-N 3.45Å
746K65.6Low50.4Low122 Ų122112.5 Ų112.553%0.5358%0.576SS.*Hα-helixtrans-68.9-22172-73.3173.3-178.5173.10113.6V742 W744 R750V742-K746 HydrophobicContact CG1-CD 3.96Å; V742-K746 HydrophobicContact CG1-CG 4.49Å; V742-K746 VanDerWaalsContact O-CB 3.27Å; V742-K746 WeakPolarHBondContact O-CB 3.32Å; V742-K746 WeakPolarHBondContact O-CD 3.29Å; V742-K746 WeakPolarHBondContact O-CG 3.23Å; V742-K746 PolarHBondContact O-N 3Å; V742-K746 VanDerWaalsContact O-N 3.15Å; W744-K746 VanDerWaalsContact C-N 3.32Å; W744-K746 PolarHBondContact O-N 3.14Å; K746-R750 WeakPolarHBondContact O-CB 3.45Å; K746-R750 WeakPolarHBondContact O-CG 3.43Å; K746-R750 PolarHBondContact O-N 2.87Å
747A63Low51Low28 Ų28113.9 Ų113.923%0.23158%0.575CS.*Hα-helixtrans-77.8-44172.100000111.2A743 W744 L745 R750 I751A743-A747 WeakPolarHBondContact O-CB 3.37Å; A743-A747 PolarHBondContact O-N 2.85Å; W744-A747 WeakPolarHBondContact O-CA 3.33Å; W744-A747 WeakPolarHBondContact O-CB 3.2Å; W744-A747 PolarHBondContact O-N 2.58Å; L745-A747 VanDerWaalsContact C-N 3.29Å; L745-A747 PolarHBondContact O-N 2.8Å; A747-R750 PolarHBondContact O-N 3.42Å; A747-I751 WeakPolarHBondContact O-CG1 3.21Å; A747-I751 PolarHBondContact O-N 3.1Å
748Q69.4Low51.6Low72 Ų72113.2 Ų113.234%0.33657%0.572SS.*Hα-helixtrans-54.2-54.8170.5-11166.91.600111.1W744 L745 R750 I751 E752W744-Q748 HydrophobicContact CH2-CG 4.38Å; W744-Q748 HydrophobicContact CZ3-CG 4.45Å; W744-Q748 PolarHBondContact O-N 3.24Å; W744-Q748 PolarHBondContact O-OE1 2.85Å; L745-Q748 PolarHBondContact O-N 3.38Å; Q748-R750 VanDerWaalsContact C-N 3.27Å; Q748-R750 PolarHBondContact O-N 2.63Å; Q748-I751 WeakPolarHBondContact O-CA 3.33Å; Q748-I751 PolarHBondContact O-N 2.73Å; Q748-E752 PolarHBondContact O-N 2.65Å
749Q63.4Low51.8Low102 Ų102108.8 Ų108.848%0.47756%0.561SS.*Hα-helixtrans-59.5-35.6178.6-72.4173.1-19.100112.5L745 L753L745-Q749 WeakPolarHBondContact O-CB 3.11Å; L745-Q749 WeakPolarHBondContact O-CG 3.48Å; L745-Q749 PolarHBondContact O-N 3.45Å; Q749-L753 VanDerWaalsContact O-CB 3.31Å; Q749-L753 WeakPolarHBondContact O-CB 3.36Å; Q749-L753 WeakPolarHBondContact O-CD1 3.41Å; Q749-L753 WeakPolarHBondContact O-CG 3.36Å; Q749-L753 PolarHBondContact O-N 2.86Å
750R59.5Low51.6Low183 Ų183110.3 Ų110.369%0.69156%0.558SS**Hα-helixtrans-66.8-38.7172.4-86.6177.1161.9155.5-4112.9K746 A747 Q748 L753 I754K746-R750 WeakPolarHBondContact O-CB 3.45Å; K746-R750 WeakPolarHBondContact O-CG 3.43Å; K746-R750 PolarHBondContact O-N 2.87Å; A747-R750 PolarHBondContact O-N 3.42Å; Q748-R750 VanDerWaalsContact C-N 3.27Å; Q748-R750 PolarHBondContact O-N 2.63Å; R750-L753 PolarHBondContact O-N 2.9Å; R750-I754 WeakPolarHBondContact O-CB 3.27Å; R750-I754 WeakPolarHBondContact O-CD1 3.37Å; R750-I754 WeakPolarHBondContact O-CG1 3.5Å; R750-I754 PolarHBondContact O-N 3.34Å
751I62.1Low51.3Low92 Ų92113.3 Ų113.347%0.47258%0.576SS.*Hα-helixtrans-68.2-40.6176.8-68.6164000110.4A747 Q748 I754 N755A747-I751 WeakPolarHBondContact O-CG1 3.21Å; A747-I751 PolarHBondContact O-N 3.1Å; Q748-I751 WeakPolarHBondContact O-CA 3.33Å; Q748-I751 PolarHBondContact O-N 2.73Å; I751-I754 PolarHBondContact O-N 3.27Å; I751-N755 WeakPolarHBondContact O-CB 3.07Å; I751-N755 VanDerWaalsContact O-CG 3.25Å; I751-N755 PolarHBondContact O-N 3.12Å; I751-N755 PolarHBondContact O-ND2 3.04Å
752E49.8Very low50.5Low125 Ų125112.5 Ų112.558%0.58459%0.59SS**Hα-helixtrans-67.6-38.2174.6-69.3-171.4145.800112.6Q748 I754 N755 S756Q748-E752 PolarHBondContact O-N 2.65Å; E752-I754 VanDerWaalsContact C-N 3.27Å; E752-I754 PolarHBondContact O-N 2.97Å; E752-N755 PolarHBondContact O-N 2.87Å; E752-S756 WeakPolarHBondContact O-CB 3.22Å; E752-S756 PolarHBondContact O-N 2.93Å; E752-S756 PolarHBondContact O-OG 2.84Å
753L49.4Very low49.4Very low117 Ų117116.2 Ų116.261%0.61361%0.605SS**Hα-helixtrans-65.4-28.1172.1-75.4166.6000113Q749 R750 N757Q749-L753 VanDerWaalsContact O-CB 3.31Å; Q749-L753 WeakPolarHBondContact O-CB 3.36Å; Q749-L753 WeakPolarHBondContact O-CD1 3.41Å; Q749-L753 WeakPolarHBondContact O-CG 3.36Å; Q749-L753 PolarHBondContact O-N 2.86Å; R750-L753 PolarHBondContact O-N 2.9Å; L753-N757 PolarHBondContact O-ND2 3.4Å
754I50.4Low47.9Very low113 Ų113123 Ų12358%0.57962%0.617SS**Hα-helixtrans-76.4-42.3172.7-71.9163.3000110.8R750 I751 E752R750-I754 WeakPolarHBondContact O-CB 3.27Å; R750-I754 WeakPolarHBondContact O-CD1 3.37Å; R750-I754 WeakPolarHBondContact O-CG1 3.5Å; R750-I754 PolarHBondContact O-N 3.34Å; I751-I754 PolarHBondContact O-N 3.27Å; E752-I754 VanDerWaalsContact C-N 3.27Å; E752-I754 PolarHBondContact O-N 2.97Å
755N45.4Very low46.5Very low101 Ų101128.2 Ų128.254%0.5464%0.637SS.*Hα-helixtrans-76.2-35.6-176.5-69.1-14.4000113.1I751 E752 N757 N758I751-N755 WeakPolarHBondContact O-CB 3.07Å; I751-N755 VanDerWaalsContact O-CG 3.25Å; I751-N755 PolarHBondContact O-N 3.12Å; I751-N755 PolarHBondContact O-ND2 3.04Å; E752-N755 PolarHBondContact O-N 2.87Å; N755-N757 PolarHBondContact O-N 3.42Å; N755-N758 PolarHBondContact O-N 2.97Å
756S41.1Very low45.1Very low90 Ų90130.3 Ų130.363%0.62966%0.658SS**G310 helixtrans-69.2-17-176.1-58.80000114.2E752E752-S756 WeakPolarHBondContact O-CB 3.22Å; E752-S756 PolarHBondContact O-N 2.93Å; E752-S756 PolarHBondContact O-OG 2.84Å
757N37.5Very low43.6Very low133 Ų133130 Ų13071%0.71167%0.669SS**G310 helixtrans-86.30.4-179.4-80.9-61.6000114.4L753 N755L753-N757 PolarHBondContact O-ND2 3.4Å; N755-N757 PolarHBondContact O-N 3.42Å
758N39.2Very low42Very low141 Ų141137.6 Ų137.675%0.75469%0.692SS**G310 helixtrans-105.313.8-177.5-72.3-46000114.9N755N755-N758 PolarHBondContact O-N 2.97Å
759S34.2Very low40.3Very low90 Ų90139.2 Ų139.263%0.62970%0.703SS**SBendtrans-131.737.4-170.6-1590000115.5
760R30.3Very low38.7Very low232 Ų232144 Ų14488%0.87572%0.722SS**  trans-143.6100.7167.6-70.8-170.9-178166.12.4112.3
761N31.8Very low37.5Very low174 Ų174140 Ų14093%0.9372%0.72SS**  trans165.2122.2141.9-86.2-19.4000109.6
762G28.9Very low36.1Very low80 Ų80142.7 Ų142.783%0.82573%0.731SS**  trans15161.1172.200000118.2
763I34.3Very low35.3Very low165 Ų165146.9 Ų146.985%0.84674%0.741SS**  trans-131.4122.3158.1-61.7-177.5000108.3
764R28.8Very low34.5Very low208 Ų208149.4 Ų149.479%0.78575%0.75SS**  trans-83.9147.5176.1-73.8-175.6175.2-1750.8111D334D334-R764 IonicContact OD1-NH2 3.68Å
765R34.3Very low33.8Very low252 Ų252151.9 Ų151.995%0.95176%0.762SS**  trans-134.2153.5138.7-73.4-163.7177.7-157.8-0.1108.7
766S28.5Very low33Very low117 Ų117152.4 Ų152.482%0.81877%0.774SS**  trans-143.9125.6-173.31790000111
767C34.2Very low32.9Very low114 Ų114152.8 Ų152.877%0.7778%0.783SS**  trans177.5148.4164.4-98.80000106.2
768R29.1Very low32.9Very low188 Ų188155.1 Ų155.171%0.70979%0.789SS**  cis-168.3162.2-23.5-127-164.9-154.8-163.97.1107
769D33.4Very low32.9Very low106 Ų106152.4 Ų152.457%0.56778%0.779SS**  trans69.5107.4150.5-52.3-23.1000123.3
770F29.6Very low32.8Very low202 Ų202153.1 Ų153.189%0.88678%0.78SS**  trans85.7150.8134-86-105.7000123.3
771P35.8Very low32.9Very low99 Ų99150.7 Ų150.764%0.64378%0.776SS**  trans-130.2-168.8-158.544.9-28000115
772Q31.9Very low33.2Very low150 Ų150147.6 Ų147.670%0.70176%0.764SS**  146.9151.2127.3-163.764.62.600113.6
773R32.3Very low33.3Very low213 Ų213150 Ų15080%0.80476%0.758SS**  trans79.3124.1177.4-45.9177.7-156.4-102.90.4112.8
774Q32.8Very low33.5Very low170 Ų170150.1 Ų150.179%0.79476%0.759SS**  62.5134.958.1-57.8174.7-60.900110.8
775I35.4Very low33.8Very low164 Ų164148.3 Ų148.384%0.84176%0.759SS**  cis-144.1152.144.1-70.5166.4000113.6
776S29.8Very low34.1Very low113 Ų113141.5 Ų141.579%0.7975%0.748SS**  trans-43.9147.3168.2137.20000118.9
777A38.9Very low34.5Very low98 Ų98139.3 Ų139.381%0.8174%0.743SS**  trans-161.2161.2130.900000112.5
778Q36.1Very low34.4Very low181 Ų181140.1 Ų140.185%0.84674%0.744SS**  trans-140.6-163.4-177.6-126.5-163.31900107.7
779P40.7Very low34.7Very low84 Ų84139.7 Ų139.755%0.54575%0.752SS.*  cis-137.2-169-3732.5-11.5000114.5
780T32.6Very low34.6Very low106 Ų106142.5 Ų142.565%0.6576%0.762SS**  trans67.7161149.739.90000119.6
781F32Very low34.9Very low180 Ų180140.4 Ų140.479%0.78976%0.759SS**  cis-150.8179.81.3-110.9-42.3000107.9
782T37.9Very low34.5Very low110 Ų110140 Ų14068%0.67576%0.758SS**  cis-151.7157.31.83.60000107.5
783N31.1Very low34.9Very low131 Ų131138.3 Ų138.370%0.70176%0.761SS**  45.5125.389.3-138.95.6000115.4
784I38.4Very low34.7Very low167 Ų167134.5 Ų134.586%0.85676%0.761SS**  -149.8168.973.9-84.4162.2000112.8
785Q34.4Very low34.6Very low169 Ų169136.6 Ų136.679%0.7976%0.762SS**  trans-121.6-143.9-157-148.8-159.3700114.3
786P40.7Very low34.3Very low110 Ų110133.4 Ų133.471%0.71475%0.75SS**  trans-125.8179-135.943.8-24.7000118
787G37.1Very low34.3Very low70 Ų70136.1 Ų136.172%0.72275%0.75SS**  trans-175.2125.3162.700000109.8
788V31.6Very low33.9Very low131 Ų131138.6 Ų138.679%0.79474%0.743SS**  cis91.799.838.3178.40000113.7
789M36.2Very low33.6Very low179 Ų179136.8 Ų136.888%0.88273%0.734SS**  trans164.3107144.4-92.9-173.3-70.300106.2
790H31.2Very low33.1Very low165 Ų165139.7 Ų139.776%0.76474%0.74SS**  cis67.1103.447.3-162.3-82.9000113.6
791L35.2Very low33Very low158 Ų158143.1 Ų143.183%0.82775%0.746SS**  trans-167.7137.7137.6-102.7166.8000112.3
792S28.8Very low32.8Very low90 Ų90139.4 Ų139.463%0.62974%0.739SS**  trans-52.2161.5-174.9450000119.6
793P40Very low32.4Very low115 Ų115138.8 Ų138.875%0.74774%0.738SS**  trans-86.1156.9171.737-36.1000113.4
794T28.8Very low32.3Very low133 Ų133142.3 Ų142.382%0.81674%0.742SS**  trans-173.7159.114890000115.3
795R29.7Very low32Very low215 Ų215141 Ų14181%0.81174%0.736SS**  trans68.1101143.9-76.9-177.588.5150.34.7122.8
796T28.2Very low31.7Very low97 Ų97138.2 Ų138.260%0.59573%0.733SS**  57.3144.8113.661.50000122.7
797H31.1Very low31.6Very low170 Ų170139.1 Ų139.179%0.78774%0.739SS**  trans71157.1162.3-65.9-67.9000116.2
798K30.2Very low31.2Very low150 Ų150142 Ų14265%0.65274%0.743SS**  cis172.6135.4-31.1-152.5-159.1174.1-154.50103
799E29.3Very low31.1Very low142 Ų142140.7 Ų140.766%0.66474%0.74SS**  trans66.2159.2167.2-47.3-177.6-173.600114.2
800H30.7Very low30.8Very low146 Ų146140.8 Ų140.868%0.67674%0.735SS**  cis-155.7-179.3-25-131.1-99.5000107.7
801F30.2Very low30.7Very low177 Ų177140.2 Ų140.278%0.77674%0.738SS**  trans68143.4168.3-60.2-75.3000117.2
802T29.2Very low30.5Very low103 Ų103137.1 Ų137.163%0.63273%0.729SS**  cis169.3139.4-39.534.90000107.3
803S28.2Very low30.5Very low96 Ų96139.8 Ų139.867%0.67174%0.736SS**  trans65.6157.5174.386.30000114
804R30.2Very low30.1Very low206 Ų206140.3 Ų140.378%0.77774%0.737SS**  cis-152.7133.723.2-163.6168.6-67.7-168.2-2.9112.7
805N30.2Very low30.2Very low138 Ų138140.8 Ų140.874%0.73873%0.734SS**  trans46135.9153.8-55.95.2000121.2
806P28.4Very low30.2Very low111 Ų111136.5 Ų136.572%0.72173%0.727SS**  trans-79149.9164.334.8-34.1000111.9
807P39.5Very low30.3Very low129 Ų129139.4 Ų139.484%0.83874%0.735SS**  trans-88106.1174.232.7-31.8000112.3
808T28.5Very low30.1Very low131 Ų131136.1 Ų136.180%0.80473%0.727SS**  trans-86.4109.4165.453.30000111.1
809S28.9Very low30Very low104 Ų104136.9 Ų136.973%0.72773%0.733SS**  trans-152.4105.8165.6-175.90000108
810K29.8Very low29.9Very low181 Ų181135.5 Ų135.579%0.78774%0.739SS**  73143.772-74.3-173.6177-177.70113.5
811N29.2Very low29.8Very low152 Ų152134 Ų13481%0.81375%0.745SS**  trans73.9138.3169.7-59.5-5.9000115.8
812S31.9Very low30.2Very low93 Ų93133 Ų13365%0.6575%0.747SS**  cis-161.7161-12.445.10000112.4
813N28.7Very low30.5Very low146 Ų146133.8 Ų133.878%0.78175%0.754SS**  trans-8.5143.5140.6-30.1-35.4000115.5
814V31.7Very low30.6Very low126 Ų126133.5 Ų133.576%0.76476%0.758SS**  -175.6120.2118.3141.60000109.4
815L30.7Very low30.7Very low144 Ų144126.9 Ų126.975%0.75475%0.753SS**  trans44.8167.3145.8-76.783000121.3
816L28.8Very low30.7Very low125 Ų125129.2 Ų129.265%0.65476%0.757SS**  cis179.8168.7-34.4-158.469.9000105.3
817M30.2Very low30.9Very low158 Ų158129.1 Ų129.178%0.77876%0.756SS**  trans65.6159.8161.4-65.8165.7167.300115.9
818T28Very low30.5Very low101 Ų101130.9 Ų130.962%0.6275%0.753SS**  cis-155144.6-23.5220000109.4
819Q27.5Very low30.5Very low166 Ų166133.4 Ų133.478%0.77676%0.756SS**  trans32.6138.5133.8-52.6171.18.800121.1
820S27.3Very low30.5Very low112 Ų112136.7 Ų136.778%0.78376%0.76SS**  trans61.4142.5148.863.50000117.8
821S29.3Very low30.4Very low114 Ų114133.2 Ų133.280%0.79776%0.756SS**  cis-162.5168.429.138.40000111.2
822L38.8Very low30.3Very low156 Ų156133.2 Ų133.282%0.81775%0.751SS**  trans-75.7154.9167.4-67.1161.8000110.7
823P34.4Very low30.2Very low121 Ų121138.6 Ų138.679%0.78676%0.758SS**  -126.4151.489.57.913.5000112.3
824A31.4Very low30.1Very low90 Ų90139.7 Ų139.774%0.74476%0.756SS**  cis82122.229.600000115
825G31.6Very low30.1Very low66 Ų66141.6 Ų141.668%0.6876%0.761SS**  trans13387.6-172.800000110.5
826F29.8Very low29.8Very low187 Ų187140.7 Ų140.782%0.8275%0.752SS**  60.9150.870.8-75.1-80.3000114.8
827P33.5Very low30Very low109 Ų109146.4 Ų146.471%0.70877%0.767SS**  cis-110162.6-18.710.414.5000110.9
828E31.6Very low29.8Very low167 Ų167149 Ų14978%0.7877%0.768SS**  61.4102.461.6-167.9180-17900115.4
829Q27.9Very low29.7Very low183 Ų183152.1 Ų152.186%0.85578%0.775SS**  trans-171.4165.4154.1-110.1169.739.200111.2
830Q28.2Very low29.9Very low174 Ų174151.6 Ų151.681%0.81377%0.77SS**  trans8777.9-177.9-57.5-67-61.900117.7
831P28.2Very low30.1Very low107 Ų107151.6 Ų151.670%0.69577%0.77SS**  trans-88.4-174.8154.937.5-32.4000112.4
832E26.5Very low30.1Very low152 Ų152150.8 Ų150.871%0.7176%0.757SS**  trans73.7145.2173.7-47.8-176.5160.300115.2
833Y31Very low29.6Very low206 Ų206151.2 Ų151.281%0.80876%0.76SS**  cis-124.5146.713.4-97.4-89.9000114.8
834F25.8Very low29.2Very low169 Ų169152 Ų15274%0.74176%0.757SS**  trans-78.7142.8163.1-98.1-125.3000111.4
835I30.7Very low28.9Very low166 Ų166152.9 Ų152.985%0.85175%0.753SS**  -136136.6129.7-63.9-170000108.6
836H26Very low28.7Very low125 Ų125158 Ų15858%0.57976%0.759SS**  trans-67.7148.8-172.4-57-88.3000115.1
837Y31.9Very low28.6Very low245 Ų245153.8 Ų153.896%0.96175%0.749SS**  -130.6151.6113.5-103.6-84.5000110.1
838R27.1Very low29Very low214 Ų214155.4 Ų155.481%0.80875%0.751SS**  trans-88151.6-162.1-93.4176.4167.2160.7-4.8114.5
839H26.1Very low29.1Very low165 Ų165151.9 Ų151.976%0.76474%0.743SS**  7.3147.3126.8-64.5-107.4000117.1
840K30Very low29.2Very low155 Ų155148.7 Ų148.767%0.67473%0.731SS**  cis-148139.144.7-74.4161.6137.1-85.10113.7D842K840-D842 WeakPolarHBondContact CD-OD2 3.37Å; K840-D842 WeakPolarHBondContact CE-OD2 3.3Å; K840-D842 IonicContact NZ-OD1 2.9Å; K840-D842 PolarHBondContact NZ-OD1 2.92Å; K840-D842 IonicContact NZ-OD2 2.59Å; K840-D842 PolarHBondContact NZ-OD2 3.37Å
841S31.5Very low29.3Very low112 Ų112149.4 Ų149.478%0.78373%0.732SS**  trans-82.6128.1138.754.40000108.5
842D29.5Very low29.4Very low97 Ų97150.1 Ų150.152%0.51973%0.734SS.*  trans-136.5126.4165.8-74.2-47.6000110K840K840-D842 WeakPolarHBondContact CD-OD2 3.37Å; K840-D842 WeakPolarHBondContact CE-OD2 3.3Å; K840-D842 IonicContact NZ-OD1 2.9Å; K840-D842 PolarHBondContact NZ-OD1 2.92Å; K840-D842 IonicContact NZ-OD2 2.59Å; K840-D842 PolarHBondContact NZ-OD2 3.37Å
843N28.7Very low29.6Very low166 Ų166147.7 Ų147.789%0.88873%0.73SS**  trans-86.8104158.9-80-45.7000108.2
844L26Very low29.5Very low138 Ų138143.5 Ų143.572%0.72372%0.721SS**  trans-142.2106.8166.5-91.7151.9000105.7
845V26.4Very low29.8Very low108 Ų108140.6 Ų140.666%0.65572%0.718SS**  60.270.254.9-165.10000111.8
846H27Very low29.6Very low174 Ų174143.3 Ų143.381%0.80672%0.717SS**  trans-128.693.1138-92.6-58.3000107.5
847T26.7Very low29.7Very low98 Ų98141.9 Ų141.960%0.60172%0.722SS**  63.594.593.861.70000112.8
848N41.6Very low29.5Very low143 Ų143135.8 Ų135.877%0.76571%0.71SS**  trans-36.1141.1145.6-174.111.9000110.6
849P33.6Very low29.5Very low92 Ų92136 Ų13660%0.59771%0.711SS**  -140.2167.611840.2-30.3000114.4
850N31.1Very low29.6Very low116 Ų116136.1 Ų136.162%0.6271%0.714SS**  trans79.398.2167.8-47.9-32.3000114.1
851F29.4Very low29.4Very low190 Ų190133.9 Ų133.983%0.83372%0.718SS**  81144.575.1-70.4-47.1000111.3
852V31.3Very low29.4Very low122 Ų122132 Ų13274%0.73972%0.716SS**  cis-135.3173.19.391.10000112.1
853T30.4Very low29.3Very low100 Ų100134.4 Ų134.461%0.61373%0.729SS**  trans-61.2175.7172.457.50000111.2
854D29.8Very low29.4Very low118 Ų118132.5 Ų132.563%0.63173%0.727SS**  cis-134.7162.220.2-98.1-75.2000109.9
855T30.2Very low29.5Very low109 Ų109132 Ų13267%0.66973%0.73SS**  41.1145.775.2102.70000113.4
856R27.7Very low29.6Very low222 Ų222134.6 Ų134.684%0.83874%0.735SS**  cis-163.6161.619.5-161.5173.1171.1158.8-6108.2
857S27.2Very low29.7Very low96 Ų96130.3 Ų130.367%0.67172%0.721SS**  trans69.9156.8148.9-118.10000116.7
858T28.2Very low29.7Very low117 Ų117132.8 Ų132.872%0.71873%0.725SS**  cis-141.5162.3-10.3-30.50000110.5
859R26.4Very low29.2Very low219 Ų219137 Ų13783%0.82673%0.732SS**  trans-41.8136.3152.7-50163.8179.3174.4-3.4111.2
860M29.2Very low28.9Very low166 Ų166141.6 Ų141.682%0.81874%0.739SS**  -162137.4113-82.3-33.1-170.600106.7
861S26.2Very low29Very low109 Ų109140.4 Ų140.476%0.76274%0.737SS**  63.6113.562.7-150.80000110.6
862G31.1Very low28.9Very low72 Ų72137.3 Ų137.374%0.74273%0.726SS**  trans167.565.3-166.200000111.8
863D26.5Very low28.6Very low147 Ų147140.9 Ų140.979%0.78673%0.726SS**  trans-57.7139.7177.4-52.8-92000112.3
864C31.7Very low28.4Very low126 Ų126142.1 Ų142.185%0.85173%0.728SS**  trans-144.664.1158-156.20000111.3H866C864-H866 PolarHBondContact O-N 3.12Å
865T27.8Very low28.2Very low129 Ų129146.1 Ų146.179%0.79174%0.735SS**  trans-72110.3155.144.30000109.3
866H28.4Very low28.3Very low161 Ų161146.2 Ų146.275%0.74574%0.74SS**  trans-139.396.5159.6-145.6-111.1000108.2C864C864-H866 PolarHBondContact O-N 3.12Å
867V29.7Very low28.3Very low85 Ų85144.1 Ų144.152%0.51573%0.733SS.*  77.9100101.3162.80000110.2
868Q26.8Very low28.4Very low149 Ų149145.6 Ų145.670%0.69673%0.734SS**  54.199.783.5-74.4-162.2-19.200113.6
869Y31.6Very low28.5Very low233 Ų233144.4 Ų144.491%0.91473%0.73SS**  trans-136.780.4139.2-102.6-76.9000110.8
870Y26.9Very low29Very low188 Ų188141.2 Ų141.274%0.73772%0.724SS**  trans-48170.8140-93.6-58.6000111.4
871P32.8Very low29.3Very low90 Ų90139.8 Ų139.858%0.58472%0.72SS**  cis-144-158.9-13.633.1-9.2000113.9
872Q27Very low29.5Very low126 Ų126139.6 Ų139.659%0.58972%0.719SS**  trans80.8129.8135.8-87.8175.335.200122.1
873R25.2Very low29.6Very low196 Ų196141.3 Ų141.374%0.7472%0.718SS**  trans69.4152.2136-66.4168.1-177.2168.1-8116.6
874N26.7Very low29.9Very low126 Ų126141.7 Ų141.767%0.67472%0.717SS**  cis-147.1137.1-4.9-109.8-17.8000106.9
875R26.1Very low29.8Very low203 Ų203140.3 Ų140.377%0.76671%0.705SS**  61.584.584.9-168.8-153.6-121.6-137.3-1.8115.3
876S30.3Very low30.1Very low110 Ų110141.6 Ų141.677%0.76971%0.707SS**  trans-177.8163149.644.90000109.9
877Y28.8Very low30.1Very low178 Ų178141.1 Ų141.170%0.69871%0.709SS**  cis-175.8128.7-48.3-122.7-55.6000106.4
878N29.1Very low30Very low128 Ų128145 Ų14568%0.68473%0.726SS**  trans61.8165.9167.9-54.8-12.4000116
879S31.2Very low30.1Very low92 Ų92142.7 Ų142.764%0.64373%0.731SS**  cis-141.5149.25.8-35.60000112.4
880E36.2Very low30Very low151 Ų151136.5 Ų136.571%0.70672%0.72SS**  38.1135.6124-59.9146.7-139.400119.7
881N35.7Very low30.1Very low137 Ų137132.9 Ų132.973%0.73372%0.722SS**  cis-140.7148.223.1-86-65.3000110.2
882S30.5Very low30Very low104 Ų104138.9 Ų138.973%0.72773%0.734SS**  58.9130.268.6-155.80000112.3
883C33.4Very low30.1Very low109 Ų109139.6 Ų139.674%0.73674%0.742SS**  cis-144173.321.164.70000108.4
884M32.1Very low30.2Very low155 Ų155137.8 Ų137.876%0.76475%0.748SS**  cis-172.7162.3-6.3-117.8172.274.400105.8
885T30.4Very low30.4Very low97 Ų97136.4 Ų136.460%0.59575%0.747SS**  trans9.7144.2149.720.80000120.9
886D33.5Very low30.5Very low155 Ų155134.4 Ų134.483%0.82975%0.749SS**  cis-130.9153.140-82.4-51.7000117.7
887L28.4Very low30.8Very low151 Ų151134 Ų13479%0.79174%0.742SS**  trans-92.1176.5161.8-80.3157.7000109.8
888I27.5Very low30.9Very low168 Ų168134 Ų13486%0.86275%0.748SS**  trans77.791.7171.4-44.3168.7000114.4
889A29.1Very low31Very low99 Ų99132 Ų13282%0.81875%0.745SS**  trans-134.9137.7150.500000108.3
890P30.3Very low31.2Very low104 Ų104132.7 Ų132.768%0.67574%0.744SS**  trans-112.7162.4-151.240.3-33.4000115.5Y892P890-Y892 HydrophobicContact CB-CD2 4.42Å
891S27.6Very low31.1Very low111 Ų111134.7 Ų134.778%0.77675%0.751SS**  trans-70.4120.3153.354.40000110.3
892Y30.5Very low30.9Very low216 Ų216136.8 Ų136.885%0.84775%0.754SS**  trans-147.3140158.4-102.2-73.1000112P890P890-Y892 HydrophobicContact CB-CD2 4.42Å
893N29.4Very low31.5Very low142 Ų142137.3 Ų137.376%0.75976%0.755SS**  trans-90.4153.3175.2-68.3-41.7000111.1
894N27.3Very low31.5Very low158 Ų158139.5 Ų139.585%0.84576%0.758SS**  trans70159.5155.4-59.9-20.8000119.7
895S31.5Very low31.3Very low96 Ų96138.8 Ų138.867%0.67176%0.758SS**  trans87.981.9148.1-160.20000120.5
896M28.7Very low31.5Very low161 Ų161139.3 Ų139.379%0.79377%0.766SS**  72.3151122-101.1177.4-73.400123
897T34.6Very low31.4Very low103 Ų103134.8 Ų134.863%0.63276%0.755SS**  trans69115.6152.748.30000121.6
898Q31.7Very low31.6Very low177 Ų177140.1 Ų140.183%0.82777%0.765SS**  62.7148.3122.4-64.7-17826.200120.2
899S32.2Very low31.8Very low87 Ų87135.5 Ų135.561%0.60876%0.759SS**  cis-176.3-179.4-11.452.10000110.5
900V34Very low32.4Very low105 Ų105137 Ų13764%0.63676%0.76SS**  trans64.7145.7166.9-117.40000114.7
901F34.2Very low32.6Very low194 Ų194138.8 Ų138.885%0.85177%0.77SS**  cis-139.5154.628.8-91.8-89.1000116.5
902F33.1Very low32.7Very low181 Ų181140.4 Ų140.479%0.79477%0.77SS**  trans-87.8167162-66.7-100.6000110.7
903P41.2Very low32.7Very low115 Ų115137.1 Ų137.175%0.74777%0.772SS**  -128.1143.791.12.820.2000113.5
904L33.8Very low32.7Very low154 Ų154138.9 Ų138.981%0.80677%0.773SS**  68.4148.479.7-60.9174.7000115.2
905D29.3Very low32.8Very low140 Ų140136.2 Ų136.275%0.74977%0.766SS**  cis-172.6172.4-30.6-160-5.1000108.2
906S33.4Very low32.7Very low109 Ų109138.3 Ų138.376%0.76277%0.77SS**  trans69150.9170.878.70000117.4
907G30.8Very low32.9Very low59 Ų59137.3 Ų137.361%0.60877%0.768SS**  cis159.6167.7-8.700000113.5
908W33.3Very low32.8Very low263 Ų263136.1 Ų136.1100%0.99676%0.764SS**  trans75.5143.1173.8-51.999.7000117.5
909G33Very low33Very low72 Ų72134.3 Ų134.374%0.74277%0.765SS**  trans-135.7-126.2-173.700000113.5
910P40.3Very low33.1Very low129 Ų129134.9 Ų134.984%0.83877%0.769SS**  -117.7172.2-129.941.5-33.1000115.9
911T34.9Very low33.2Very low143 Ų143133.5 Ų133.588%0.87777%0.769SS**  trans-152.4150.1154.712.10000112.2
912D28.9Very low33.3Very low144 Ų144133.4 Ų133.477%0.7777%0.768SS**  trans-70167.8176.2-50.9-110.1000114.3
913V31.8Very low33.4Very low147 Ų147132.8 Ų132.889%0.89177%0.767SS**  -158152.1120133.50000111
914K29Very low33.2Very low180 Ų180135.5 Ų135.578%0.78377%0.767SS**  trans-94.3177.7-172.5-74.3171.9171.81680113.2
915S29.7Very low33.2Very low101 Ų101135.6 Ų135.671%0.70676%0.761SS**  trans81.6150.4145.680.80000116.3
916N29.4Very low33.6Very low140 Ų140135.5 Ų135.575%0.74976%0.756SS**  cis-160.5-167.2-13.7-115.14.8000109.4
917D32.6Very low33.7Very low140 Ų140140.4 Ų140.475%0.74976%0.758SS**  trans89.7144.7151.1-67.9-37.1000121.1
918S32.7Very low33.8Very low79 Ų79141.9 Ų141.955%0.55276%0.758SS**  cis-169.6130.3-30.5-115.10000112.5
919T35.3Very low33.7Very low138 Ų138136.3 Ų136.385%0.84775%0.748SS**  trans63.9175.5154.575.70000116.1
920S34.4Very low33.8Very low100 Ų100140.9 Ų140.970%0.69975%0.752SS**  cis-149.2158.26.576.40000113.9
921A35.4Very low33.5Very low76 Ų76141 Ų14163%0.62875%0.745SS**  trans50.2143145.700000120.1
922K36.8Very low33.5Very low192 Ų192145.3 Ų145.384%0.83575%0.745SS**  cis-136.8135.527-69.8162.6-172167.20108
923H35.1Very low33.7Very low168 Ų168142.4 Ų142.478%0.77874%0.736SS**  51.7141.484.4-65.8-44.6000113.5
924K36.7Very low33.9Very low171 Ų171143 Ų14374%0.74373%0.728SS**  cis-168.3119.140.3-161.2172-177.8179.90114.3
925K34.9Very low34.3Very low156 Ų156139.7 Ų139.768%0.67873%0.728SS**  trans58.8162.3143.3-54.4-175.8-176.4-171.20117.3
926H38.2Very low34.8Very low139 Ų139142 Ų14264%0.64473%0.728SS**  cis-158.3148.436.1-122.9-73.7000114.1
927R35.6Very low35.1Very low212 Ų212146.5 Ų146.580%0.873%0.734SS**  trans49.5122157.2-77.2165179.1175.4-2.8118.9
928S31.9Very low35.3Very low89 Ų89145.9 Ų145.962%0.62274%0.735SS**  cis78.3126.628.390.50000117
929N30.7Very low35.5Very low147 Ų147146 Ų14679%0.78674%0.741SS**  trans74.8119.6161.2-51.4-5.1000117.5
930M36.3Very low35.3Very low167 Ų167147 Ų14782%0.82374%0.741SS**  -178.8116.3109.9-90.7-175.777.600108.1
931I34Very low35.5Very low132 Ų132147.5 Ų147.568%0.67774%0.742SS**  92.6128.573.3-80.6179.3000112.9
932R34.2Very low35.4Very low234 Ų234152.5 Ų152.588%0.88375%0.753SS**  trans69157.5165-80.5174173.5-146.7-3.5119.2
933S33.3Very low35.1Very low83 Ų83147.6 Ų147.658%0.5874%0.743SS**  cis-178.9157.8-32.552.20000112.5
934H36Very low34.9Very low159 Ų159146.3 Ų146.374%0.73674%0.742SS**  trans55.4120.2151.4-82.5-71.9000121.2
935S37.4Very low34.7Very low110 Ų110144.7 Ų144.777%0.76974%0.74SS**  178.7103.1106.6-167.30000109.2
936Q39.8Very low34.5Very low151 Ų151143.3 Ų143.371%0.70674%0.74SS**  62101.985.7-77.8-170.6-10.300117.1
937R36.7Very low34.2Very low233 Ų233144.7 Ų144.788%0.87975%0.747SS**  -174.4109.5129.8-95.3160.3-166.2-107.41.5107
938T35.4Very low34.1Very low127 Ų127137.5 Ų137.578%0.77974%0.738SS**  59.8126.180.364.10000113.7
939A36.4Very low34.2Very low81 Ų81139.9 Ų139.967%0.66974%0.744SS**  cis-161.9147.2-3.300000113.1
940D32.1Very low34.3Very low159 Ų159140.3 Ų140.385%0.8574%0.741SS**  trans60.3159.6141.4-64.6-42.6000123.8
941P38.9Very low34.1Very low111 Ų111139.2 Ų139.272%0.72174%0.738SS**  trans-120.9-141.5-162.643.5-26.9000112.5
942Q32.7Very low33.9Very low181 Ų181137.1 Ų137.185%0.84674%0.735SS**  trans86.5142.3-176.2-59.7-174.8-11.400114.2
943S31.6Very low33.8Very low90 Ų90132.2 Ų132.263%0.62973%0.731SS**  cis-167169.2-10.450.90000111.2
944N30.5Very low33.7Very low141 Ų141133.2 Ų133.275%0.75474%0.738SS**  trans35142.8131.9-57.3-3.2000120.2
945L31.5Very low33.5Very low136 Ų136130.1 Ų130.171%0.71273%0.734SS**  cis-160.6-178.519.9-151.670.2000111.7
946L31.7Very low33.2Very low127 Ų127131.5 Ų131.567%0.66573%0.733SS**  trans-31.4164.7151.2-74.447.2000115.1
947E31.1Very low33Very low169 Ų169131.9 Ų131.979%0.7974%0.735SS**  cis-162.8169.216.7-135.2156159.600113.3
948G34.2Very low32.8Very low60 Ų60126.3 Ų126.362%0.61973%0.726SS**  trans122.7110.6155.400000114.8
949N33.4Very low32.5Very low140 Ų140131.2 Ų131.275%0.74973%0.731SS**  75.3126.361.3-71-19.5000113.3
950Q34.1Very low32.2Very low155 Ų155132.3 Ų132.372%0.72473%0.732SS**  cis-156.51574.1-83-131.579.500112.1
951L31.1Very low32.3Very low145 Ų145131.3 Ų131.376%0.75973%0.726SS**  trans61.3153.3156.4-9075.9000118.4
952S29.8Very low32Very low88 Ų88133.1 Ų133.162%0.61573%0.728SS**  cis-162.3150.7-3.240.60000113.9
953T32.9Very low32.1Very low131 Ų131128.7 Ų128.780%0.80472%0.715SS**  trans72.914715147.50000122.8
954S31.3Very low32.3Very low103 Ų103129.6 Ų129.672%0.7272%0.721SS**  trans67.6103167.2640000121
955S31.3Very low32.4Very low94 Ų94131.5 Ų131.566%0.65772%0.723SS**  29.4131.6119.4540000119.5
956D31.8Very low32.5Very low139 Ų139136 Ų13674%0.74373%0.732SS**  cis-151.8170.112.5-90-32000114.3
957H35Very low32.3Very low160 Ų160141.3 Ų141.374%0.74175%0.745SS**  trans-9.8115.2168.3-57.9-69.5000117.6
958T31.4Very low32.6Very low115 Ų115140.7 Ų140.771%0.70674%0.742SS**  61.5130.162.6750000116.8
959R30Very low32.5Very low231 Ų231146.1 Ų146.187%0.87274%0.743SS**  trans73.6122.1172.8-82.7-178.3-170.4177.15116.1
960C29.6Very low32.4Very low103 Ų103145.5 Ų145.570%0.69674%0.74SS**  cis67.2138.125.3-370000114.6
961L34.3Very low32.6Very low139 Ų139144.9 Ų144.973%0.72874%0.741SS**  cis175.1110.6-11.6-107.9164.7000105.2
962I33Very low32.7Very low149 Ų149142.3 Ų142.376%0.76474%0.735SS**  trans66.2160.9143.9-63.2179.1000117.7
963P34.6Very low33Very low88 Ų88147.1 Ų147.157%0.57175%0.748SS**  cis-126.9160.5-16.231.2-12000117.6
964S35.2Very low33Very low108 Ų108147.3 Ų147.376%0.75575%0.749SS**  trans37.8123134-161.90000123.4
965K33Very low33.3Very low181 Ų181148.7 Ų148.779%0.78775%0.753SS**  170.159.8116.3-92.6-175.6-178.4179.70115.1
966Y33.2Very low33.5Very low230 Ų230149.5 Ų149.590%0.90276%0.756SS**  trans-155.5140.4156.9-102.7-76.7000110.5H968Y966-H968 PolarHBondContact O-N 3.43Å; Y966-H968 VanDerWaalsContact O-N 3.14Å
967Y28.6Very low33.8Very low239 Ų239148.2 Ų148.294%0.93776%0.764SS**  trans-87.466.6-178.3-105.6-86.6000112
968H36.2Very low34.1Very low156 Ų156145.7 Ų145.772%0.72276%0.757SS**  trans-98.6118.5166.6-111-91.7000110.3Y966 N970Y966-H968 PolarHBondContact O-N 3.43Å; Y966-H968 VanDerWaalsContact O-N 3.14Å; H968-N970 PolarHBondContact ND1-OD1 3.39Å; H968-N970 PolarHBondContact O-N 3.48Å
969R32.1Very low34.4Very low175 Ų175145.9 Ų145.966%0.6676%0.76SS**  trans-98.850.1-171.9-152.9175.7-168.3174.21.4112.7L971R969-L971 PolarHBondContact O-N 2.89Å; R969-L971 VanDerWaalsContact O-N 3.12Å
970N32.4Very low34.9Very low126 Ų126141.7 Ų141.767%0.67475%0.754SS**  trans-64.1110.7177.9-65.13.6000109.4H968 S972H968-N970 PolarHBondContact ND1-OD1 3.39Å; H968-N970 PolarHBondContact O-N 3.48Å; N970-S972 VanDerWaalsContact C-N 3.34Å; N970-S972 PolarHBondContact O-N 3.31Å
971L38.1Very low35.6Very low142 Ų142141 Ų14174%0.74375%0.751SS**  trans-101.448.3-170.1-129.7161.9000110.7R969R969-L971 PolarHBondContact O-N 2.89Å; R969-L971 VanDerWaalsContact O-N 3.12Å
972S32.3Very low36.2Very low91 Ų91142.5 Ų142.564%0.63676%0.759SS**  trans-150.450.2-161.152.20000114.3N970N970-S972 VanDerWaalsContact C-N 3.34Å; N970-S972 PolarHBondContact O-N 3.31Å
973Q37.1Very low36.8Very low190 Ų190139.7 Ų139.789%0.88875%0.753SS**  trans-162.5166.4159.5-108.7153.837.800111.7
974T33.3Very low37.6Very low135 Ų135143.3 Ų143.383%0.82877%0.766SS**  trans67.763-173.778.40000117.2
975V36.3Very low38.2Very low131 Ų131145.6 Ų145.679%0.79476%0.758SS**  trans-115.6120.5148177.70000107.2A977V975-A977 PolarHBondContact O-N 2.95Å
976P37.1Very low38.7Very low111 Ų111140.5 Ų140.572%0.72174%0.743SS**  trans-64.6127.5174-21.433.7000110.8N978P976-N978 PolarHBondContact O-N 3.24Å
977A37Very low39.3Very low112 Ų112134.5 Ų134.593%0.92673%0.733SS**SBendtrans-81.646.9-175.700000113.2V975V975-A977 PolarHBondContact O-N 2.95Å
978N41Very low39.9Very low108 Ų108128 Ų12858%0.57872%0.718SS**  trans-150.9120.5179.5-162.3-17.3000110.7P976 D980P976-N978 PolarHBondContact O-N 3.24Å; N978-D980 VanDerWaalsContact C-N 3.26Å; N978-D980 PolarHBondContact O-N 3.42Å
979P38.5Very low40.6Very low119 Ų119124.1 Ų124.177%0.77370%0.702SS**  trans-71.5-14.8-176.228.6-35.8000114.6S981P979-S981 PolarHBondContact O-N 3.09Å
980D40Very low41.3Very low142 Ų142118.2 Ų118.276%0.75969%0.685SS**  trans-8960.4-164.5-63.9-21.3000114.2N978N978-D980 VanDerWaalsContact C-N 3.26Å; N978-D980 PolarHBondContact O-N 3.42Å
981S44.2Very low41.8Very low88 Ų88117.8 Ų117.862%0.61568%0.679SS**SBendtrans-153.1141.6163.167.90000114.4P979 S983P979-S981 PolarHBondContact O-N 3.09Å; S981-S983 PolarHBondContact O-N 2.91Å
982N47Very low42.1Very low171 Ų171120.8 Ų120.891%0.91468%0.681SS**  trans-75.440.5-172-73.7-40.1000115.3I984N982-I984 PolarHBondContact O-N 3.44Å
983S46.3Very low42.6Very low90 Ų90122.7 Ų122.763%0.62968%0.679SS**  trans-81.994.3179.6-70.80000112.2S981 W985S981-S983 PolarHBondContact O-N 2.91Å; S983-W985 PolarHBondContact O-N 2.85Å
984I50Low43Very low164 Ų164123.7 Ų123.784%0.84168%0.675SS**  trans-70.8112.3180-61.9169.2000110.8N982N982-I984 PolarHBondContact O-N 3.44Å
985W48.1Very low43.5Very low157 Ų157126 Ų12660%0.59567%0.668SS**  trans-71.2138.7177.6-75.283.4000112.8S983 L989 V990S983-W985 PolarHBondContact O-N 2.85Å; W985-L989 HydrophobicContact CE3-CB 4.13Å; W985-L989 HydrophobicContact CE3-CD1 3.98Å; W985-L989 HydrophobicContact CZ3-CD1 4.07Å; W985-V990 HydrophobicContact CB-CG2 3.75Å
986P44.9Very low43.6Very low73 Ų73127.4 Ų127.447%0.47466%0.659SS.*  trans-59.3138.3173.7-25.234.7000112.5V988 L989 V990P986-V988 PolarHBondContact O-N 3.31Å; P986-L989 HydrophobicContact CG-CD1 4.47Å; P986-L989 PolarHBondContact O-N 3.04Å; P986-V990 PolarHBondContact O-N 2.98Å
987P44.4Very low43.5Very low105 Ų105127.5 Ų127.568%0.68266%0.66SS**Hα-helixtrans-54.8-32.2-174-29.835.5000115.4L989 V990 Q991P987-L989 VanDerWaalsContact C-N 3.35Å; P987-L989 PolarHBondContact O-N 2.91Å; P987-V990 PolarHBondContact O-N 2.92Å; P987-Q991 WeakPolarHBondContact O-CB 3.47Å; P987-Q991 PolarHBondContact O-N 2.88Å
988V41.1Very low43.5Very low102 Ų102129.2 Ų129.262%0.61865%0.654SS**Hα-helixtrans-62.9-38.9178.7176.80000112P986 W992P986-V988 PolarHBondContact O-N 3.31Å; V988-W992 PolarHBondContact O-N 2.96Å
989L50.7Low43.2Very low74 Ų74130.4 Ų130.439%0.38767%0.665SS.*Hα-helixtrans-71.3-45176.5-85.3155.9000110.8W985 P986 P987 Q991 W992 H993W985-L989 HydrophobicContact CE3-CB 4.13Å; W985-L989 HydrophobicContact CE3-CD1 3.98Å; W985-L989 HydrophobicContact CZ3-CD1 4.07Å; P986-L989 HydrophobicContact CG-CD1 4.47Å; P986-L989 PolarHBondContact O-N 3.04Å; P987-L989 VanDerWaalsContact C-N 3.35Å; P987-L989 PolarHBondContact O-N 2.91Å; L989-Q991 PolarHBondContact O-N 2.78Å; L989-W992 PolarHBondContact O-N 2.83Å; L989-H993 PolarHBondContact O-CD2 2.81Å; L989-H993 PolarHBondContact O-N 2.74Å
990V47.1Very low43Very low52 Ų52128.4 Ų128.432%0.31566%0.658SS.*Hα-helixtrans-57.4-37.7175.9-176.40000111.4W985 P986 P987 R994W985-V990 HydrophobicContact CB-CG2 3.75Å; P986-V990 PolarHBondContact O-N 2.98Å; P987-V990 PolarHBondContact O-N 2.92Å; V990-R994 HydrophobicContact CG1-CG 4.48Å; V990-R994 WeakPolarHBondContact O-CB 3.3Å; V990-R994 WeakPolarHBondContact O-CG 3.36Å; V990-R994 PolarHBondContact O-N 3.45Å
991Q44.1Very low42.5Very low117 Ų117126.7 Ų126.755%0.54766%0.664SS.*Hα-helixtrans-72.4-27177.2-169172.87.700113.9P987 L989P987-Q991 WeakPolarHBondContact O-CB 3.47Å; P987-Q991 PolarHBondContact O-N 2.88Å; L989-Q991 PolarHBondContact O-N 2.78Å
992W43.1Very low42.1Very low205 Ų205128 Ų12878%0.77767%0.673SS**Hα-helixtrans-74-47.8170.4-95.478.5000111.7V988 L989 R994 R995V988-W992 PolarHBondContact O-N 2.96Å; L989-W992 PolarHBondContact O-N 2.83Å; W992-R994 PolarHBondContact O-N 3.43Å; W992-R995 PolarHBondContact O-N 3.49Å
993H43.7Very low41.3Very low130 Ų130125 Ų12560%0.60267%0.665SS**Hα-helixtrans-64.9-36.3-178.9-73.4-74.4000112.7L989 R995L989-H993 PolarHBondContact O-CD2 2.81Å; L989-H993 PolarHBondContact O-N 2.74Å; H993-R995 PolarHBondContact O-N 3.41Å
994R44.9Very low40.6Very low212 Ų212128.7 Ų128.780%0.867%0.673SS**THydrogen-bonded Turntrans-70.26.8175.2-73.1-175.4177-156.3-0.8115.4V990 W992V990-R994 HydrophobicContact CG1-CG 4.48Å; V990-R994 WeakPolarHBondContact O-CB 3.3Å; V990-R994 WeakPolarHBondContact O-CG 3.36Å; V990-R994 PolarHBondContact O-N 3.45Å; W992-R994 PolarHBondContact O-N 3.43Å
995R43.6Very low39.7Very low182 Ų182127.3 Ų127.369%0.68767%0.667SS**THydrogen-bonded Turntrans-113.80.7179.3-83.7-177.7163.3169.5-5115.4W992 H993W992-R995 PolarHBondContact O-N 3.49Å; H993-R995 PolarHBondContact O-N 3.41Å
996R39.7Very low39Very low161 Ų161129.8 Ų129.861%0.60868%0.682SS**SBendtrans-87126.8162-71.4-166.1-179.9-144.75.1109.6N998R996-N998 PolarHBondContact O-N 2.95Å
997P35.4Very low38.4Very low113 Ų113132 Ų13273%0.73470%0.697SS**  trans-67.4109.2163.5-13.629.2000108.3V999P997-V999 VanDerWaalsContact C-N 3.27Å; P997-V999 HydrophobicContact CB-CG2 4.2Å; P997-V999 PolarHBondContact O-N 2.88Å
998N36.4Very low37.9Very low148 Ų148133.9 Ų133.979%0.79170%0.701SS**  trans-84.770.3-175.5-155.261.1000110.5R996 A1000R996-N998 PolarHBondContact O-N 2.95Å; N998-A1000 PolarHBondContact O-N 3.4Å
999V33.5Very low37.3Very low134 Ų134136 Ų13681%0.81271%0.707SS**  trans-8261.6-179.3-167.60000110.2P997P997-V999 VanDerWaalsContact C-N 3.27Å; P997-V999 HydrophobicContact CB-CG2 4.2Å; P997-V999 PolarHBondContact O-N 2.88Å
1000A34.7Very low36.6Very low76 Ų76139.5 Ų139.563%0.62873%0.725SS**  trans-78120.3166.900000108.5N998 S1002N998-A1000 PolarHBondContact O-N 3.4Å; A1000-S1002 PolarHBondContact O-N 3.07Å
1001A30.3Very low35.8Very low107 Ų107144.1 Ų144.188%0.88475%0.748SS**  trans-77.1117.5177.500000110.5
1002S34.7Very low35.3Very low114 Ų114149.5 Ų149.580%0.79776%0.764SS**  trans-130.497.1163.860.70000108.7A1000A1000-S1002 PolarHBondContact O-N 3.07Å
1003S30.2Very low34.7Very low108 Ų108148.1 Ų148.176%0.75577%0.767SS**  trans-72.1121.1166.249.80000109.3
1004E32.2Very low34.1Very low169 Ų169145.3 Ų145.379%0.7977%0.773SS**  trans175.7149.1139.4-100163.8-137.600111.9
1005N31.6Very low33.7Very low134 Ų134141.2 Ų141.272%0.71778%0.777SS**  trans57.684.6159.1-56.4-38.7000119.8
1006F32.3Very low33.3Very low210 Ų210141.5 Ų141.592%0.92178%0.783SS**  trans-148.1134.2133.9-93.5-71.3000110.1
1007P33.8Very low32.8Very low120 Ų120143.2 Ų143.278%0.77979%0.789SS**  trans-93.3145.1-172.135.5-35.1000115.2
1008D32.8Very low32.6Very low144 Ų144146.1 Ų146.177%0.7779%0.787SS**  trans19.9129149.1-74.7-23.2000123.6
1009I29.1Very low32.5Very low146 Ų146147 Ų14775%0.74979%0.792SS**  trans72.2114136.9-59.1166.3000118.5
1010I35.3Very low32.4Very low148 Ų148147.4 Ų147.476%0.75979%0.785SS**  -163132.2107.2-92.7171.8000108.3Y1012I1010-Y1012 HydrophobicContact CG2-CD2 4.43Å
1011D29.8Very low32.5Very low149 Ų149151.4 Ų151.480%0.79780%0.796SS**  trans-73.5144.5171.1-79.9-68.3000112.3
1012Y34.3Very low33.3Very low229 Ų229152.6 Ų152.690%0.89879%0.786SS**  trans-138.7114.3153.2-117.9-84.8000112I1010I1010-Y1012 HydrophobicContact CG2-CD2 4.43Å
1013Q31.2Very low33.6Very low177 Ų177156.6 Ų156.683%0.82779%0.792SS**  trans-102.4114.1-169-170.9174.187.900110.7
1014G30Very low34.4Very low71 Ų71155.6 Ų155.673%0.73278%0.777SS**  trans-14619.5-158.900000119.6
1015S37.7Very low35.4Very low126 Ų126151.6 Ų151.688%0.88177%0.766SS**  trans-16191.4167-85.10000114.5
1016K34Very low36.2Very low188 Ų188148.4 Ų148.482%0.81776%0.758SS**  trans-98.5151.3144.8-63.8176.81801750105.3
1017R30.6Very low36.6Very low196 Ų196144.8 Ų144.874%0.7474%0.744SS**  cis-148.7172.140.5-58.3162.2-172.2165.90.6107.5
1018Y30.6Very low36.8Very low175 Ų175147.2 Ų147.269%0.68674%0.739SS**  cis-145.1138.320.3-63.3-101.9000110.9
1019N34.3Very low37.3Very low165 Ų165148.8 Ų148.888%0.88274%0.735SS**  -168.3139.6115.1-104.4-37.3000109.5
1020E31.5Very low37.9Very low144 Ų144150.6 Ų150.667%0.67373%0.733SS**  trans-113163.9-174-64.3168.2-136.100108.4
1021N36.5Very low38.2Very low160 Ų160151 Ų15186%0.85673%0.731SS**  trans76.969.6-174.4-43.3-54.5000117
1022L46.2Very low38.7Very low131 Ų131152.3 Ų152.369%0.68673%0.732SS**  trans-169.980.1144.3-107.2158.6000111I1024L1022-I1024 HydrophobicContact CD2-CD1 4.26Å; L1022-I1024 HydrophobicContact CD2-CG1 4.03Å; L1022-I1024 PolarHBondContact O-N 2.84Å
1023H40.9Very low39.1Very low199 Ų199150.7 Ų150.792%0.92173%0.73SS**  trans-80.391170.5-110.793.3000109.5
1024I48.4Very low39.3Very low86 Ų86146.1 Ų146.144%0.44172%0.718SS.*  trans-87.8122.9165.6-59177.8000107.1L1022 Y1028 Y1029L1022-I1024 HydrophobicContact CD2-CD1 4.26Å; L1022-I1024 HydrophobicContact CD2-CG1 4.03Å; L1022-I1024 PolarHBondContact O-N 2.84Å; I1024-Y1028 HydrophobicContact CG2-CG 4.43Å; I1024-Y1029 HydrophobicContact CG2-CE2 4.43Å
1025P52.8Low39.7Very low86 Ų86149.6 Ų149.656%0.55872%0.72SS**  trans-56.6139.3177.8-26.635.5000112.3E1027 Y1028P1025-E1027 PolarHBondContact O-N 3.34Å; P1025-Y1028 PolarHBondContact O-N 3.07Å; P1025-Y1028 VanDerWaalsContact O-N 3.15Å
1026A47.3Very low39.7Very low67 Ų67154 Ų15455%0.55472%0.723SS**THydrogen-bonded Turntrans-60.7-13.2-178.200000114
1027E41.9Very low39.6Very low134 Ų134149.3 Ų149.363%0.62671%0.714SS**THydrogen-bonded Turntrans-75.9-30.1-178.8-61.7175.3-12200111.8P1025 Y1029 R1030 H1031P1025-E1027 PolarHBondContact O-N 3.34Å; E1027-Y1029 PolarHBondContact O-N 3.26Å; E1027-R1030 PolarHBondContact O-N 2.87Å; E1027-H1031 PolarHBondContact O-CD2 3.12Å
1028Y38.4Very low39.8Very low171 Ų171150.2 Ų150.267%0.67172%0.718SS**THydrogen-bonded Turntrans-59.7-30.7174.8-167.3-94.9000112.6I1024 P1025I1024-Y1028 HydrophobicContact CG2-CG 4.43Å; P1025-Y1028 PolarHBondContact O-N 3.07Å; P1025-Y1028 VanDerWaalsContact O-N 3.15Å
1029Y42.6Very low40Very low176 Ų176149 Ų14969%0.6972%0.718SS**THydrogen-bonded Turntrans-86.9-5.8177.5-76.8-81.1000114.5I1024 E1027I1024-Y1029 HydrophobicContact CG2-CE2 4.43Å; E1027-Y1029 PolarHBondContact O-N 3.26Å
1030R41.7Very low40.2Very low185 Ų185150.9 Ų150.970%0.69872%0.721SS**THydrogen-bonded Turntrans-91.6-19.2-180-76.7-179.5169.4150.3-2.3114E1027E1027-R1030 PolarHBondContact O-N 2.87Å
1031H40.8Very low40.4Very low155 Ų155148.6 Ų148.672%0.71872%0.721SS**THydrogen-bonded Turntrans-93.812-170.2-77-114.8000115.9E1027E1027-H1031 PolarHBondContact O-CD2 3.12Å
1032Q41.4Very low40.2Very low177 Ų177144.6 Ų144.683%0.82771%0.706SS**THydrogen-bonded Turntrans-113.114.5176-71.9-167.7-18.700114.2
1033K42.2Very low39.9Very low195 Ų195143 Ų14385%0.84871%0.705SS**SBendtrans-123.97-167.2-115.5-177179.9-175.70117
1034S36Very low40.1Very low82 Ų82135.7 Ų135.757%0.57368%0.675SS**SBendtrans-104-33.2-172.549.10000115.8
1035D38.3Very low40Very low144 Ų144135.5 Ų135.577%0.7768%0.678SS**SBendtrans-98.6-12.9-155.3-63.52.9000115S1037D1035-S1037 VanDerWaalsContact C-N 3.34Å; D1035-S1037 PolarHBondContact O-N 3.13Å; D1035-S1037 VanDerWaalsContact O-N 3.15Å
1036F38.4Very low39.6Very low218 Ų218134.7 Ų134.796%0.95668%0.678SS**  trans-88.864.1175.4-83-80000112.4
1037S31.8Very low40Very low90 Ų90133.4 Ų133.463%0.62966%0.662SS**  trans-131.389.9175.1-168.30000113.3D1035D1035-S1037 VanDerWaalsContact C-N 3.34Å; D1035-S1037 PolarHBondContact O-N 3.13Å; D1035-S1037 VanDerWaalsContact O-N 3.15Å
1038R33.2Very low40.8Very low214 Ų214128 Ų12881%0.80864%0.639SS**SBendtrans-178.8148.8138.6-102.9165.8-71.1-175.81.8111.8
1039H35.9Very low41.4Very low151 Ų151125.9 Ų125.970%0.69964%0.635SS**  trans75.3133.7173.9-45.8-63.1000117.3S1041H1039-S1041 PolarHBondContact O-N 3.28Å; H1039-S1041 VanDerWaalsContact O-N 3.07Å
1040H39Very low42.8Very low204 Ų204123.6 Ų123.694%0.94463%0.631SS**THydrogen-bonded Turntrans-89.154-162-63.2-95.2000114.3
1041S34.1Very low44.8Very low96 Ų96115.1 Ų115.167%0.67160%0.599SS**THydrogen-bonded Turntrans-119-4.2-176.3-55.20000114.8H1039 S1043H1039-S1041 PolarHBondContact O-N 3.28Å; H1039-S1041 VanDerWaalsContact O-N 3.07Å; S1041-S1043 PolarHBondContact O-N 3.13Å
1042S33Very low46.7Very low76 Ų76111 Ų11153%0.53158%0.581SS.*THydrogen-bonded Turntrans-76.9-15.3-157.6-470000116.6T1044 T1045 A1046S1042-T1044 VanDerWaalsContact C-N 3.3Å; S1042-T1044 PolarHBondContact O-N 2.94Å; S1042-T1045 PolarHBondContact O-N 2.81Å; S1042-A1046 PolarHBondContact O-N 2.91Å
1043S40.7Very low48.7Very low97 Ų97109 Ų10968%0.67858%0.575SS**Hα-helixtrans-60.5-35.6-172.1-51.10000113.4S1041 I1047S1041-S1043 PolarHBondContact O-N 3.13Å; S1043-I1047 WeakPolarHBondContact O-CD1 3.33Å; S1043-I1047 VanDerWaalsContact O-CG1 3.27Å; S1043-I1047 WeakPolarHBondContact O-CG1 3.37Å
1044T44.1Very low51Low45 Ų45102.6 Ų102.628%0.27655%0.548SS..Hα-helixtrans-77.3-24.3177.8-50.20000112.9S1042 S1048S1042-T1044 VanDerWaalsContact C-N 3.3Å; S1042-T1044 PolarHBondContact O-N 2.94Å; T1044-S1048 PolarHBondContact O-N 3.25Å; T1044-S1048 PolarHBondContact O-OG 3.31Å
1045T46Very low53.6Low82 Ų82104.4 Ų104.450%0.50355%0.551SS.*Hα-helixtrans-75.4-52.3-173-39.30000111.5S1042 I1047 S1048 E1049S1042-T1045 PolarHBondContact O-N 2.81Å; T1045-I1047 PolarHBondContact O-N 2.9Å; T1045-S1048 WeakPolarHBondContact O-CA 3.24Å; T1045-S1048 VanDerWaalsContact O-CB 3.32Å; T1045-S1048 WeakPolarHBondContact O-CB 3.34Å; T1045-S1048 PolarHBondContact O-N 3.47Å; T1045-E1049 PolarHBondContact O-N 3.04Å
1046A45.4Very low56.2Low69 Ų6998.7 Ų98.757%0.5752%0.519SS*.Hα-helixtrans-63-31.3179.400000112.9S1042 S1048S1042-A1046 PolarHBondContact O-N 2.91Å; A1046-S1048 VanDerWaalsContact C-N 3.29Å; A1046-S1048 PolarHBondContact O-N 3Å
1047I55.7Low59Low40 Ų4088.8 Ų88.821%0.20548%0.475CS..Hα-helixtrans-62.6-37.8171.3-68.9175000111.2S1043 T1045 L1051 Y1114S1043-I1047 WeakPolarHBondContact O-CD1 3.33Å; S1043-I1047 VanDerWaalsContact O-CG1 3.27Å; S1043-I1047 WeakPolarHBondContact O-CG1 3.37Å; T1045-I1047 PolarHBondContact O-N 2.9Å; I1047-L1051 HydrophobicContact CG2-CD1 3.87Å; I1047-L1051 WeakPolarHBondContact O-CG 3.47Å; I1047-Y1114 WeakPolarHBondContact CD1-OH 3.41Å; I1047-Y1114 VanDerWaalsContact CG1-OH 3.26Å; I1047-Y1114 WeakPolarHBondContact CG1-OH 3.46Å; I1047-Y1114 HydrophobicContact CG2-CE1 4.3Å; I1047-Y1114 WeakPolarHBondContact CG2-OH 3.42Å
1048S58.2Low61.9Low22 Ų2285.1 Ų85.115%0.15445%0.448CS..Hα-helixtrans-68.8-41.4-175.1-58.50000111.5T1044 T1045 A1046 Q1050 L1051 E1052T1044-S1048 PolarHBondContact O-N 3.25Å; T1044-S1048 PolarHBondContact O-OG 3.31Å; T1045-S1048 WeakPolarHBondContact O-CA 3.24Å; T1045-S1048 VanDerWaalsContact O-CB 3.32Å; T1045-S1048 WeakPolarHBondContact O-CB 3.34Å; T1045-S1048 PolarHBondContact O-N 3.47Å; A1046-S1048 VanDerWaalsContact C-N 3.29Å; A1046-S1048 PolarHBondContact O-N 3Å; S1048-Q1050 VanDerWaalsContact C-N 3.35Å; S1048-Q1050 PolarHBondContact O-N 3.01Å; S1048-L1051 CarbonylContact O-C 3.54Å; S1048-L1051 WeakPolarHBondContact O-CA 3.24Å; S1048-L1051 PolarHBondContact O-N 3.41Å; S1048-E1052 WeakPolarHBondContact O-CB 3.43Å; S1048-E1052 VanDerWaalsContact O-CG 3.24Å; S1048-E1052 WeakPolarHBondContact O-CG 3.14Å; S1048-E1052 PolarHBondContact O-N 2.84Å
1049E51.2Low64.5Low126 Ų12679 Ų7959%0.58943%0.425SS*.Hα-helixtrans-55.5-42.2-177.2-66.9175.8-159.600113.9T1045 L1051 N1053T1045-E1049 PolarHBondContact O-N 3.04Å; E1049-L1051 VanDerWaalsContact C-N 3.33Å; E1049-L1051 PolarHBondContact O-N 3.48Å; E1049-N1053 PolarHBondContact O-ND2 3.24Å
1050Q72.1Confident67Low127 Ų12778.3 Ų78.359%0.59343%0.426SS*.Hα-helixtrans-73.6-25.4178.2-167.8174.9-2.200112.9S1048S1048-Q1050 VanDerWaalsContact C-N 3.35Å; S1048-Q1050 PolarHBondContact O-N 3.01Å
1051L84.3Confident69.6Low8 Ų869.8 Ų69.84%0.04239%0.388CS..Hα-helixtrans-86.1-32.1177.7-60.2176.9000112.5I1047 S1048 E1049 N1053 Q1054 W1056 F1057 L1090 V1126I1047-L1051 HydrophobicContact CG2-CD1 3.87Å; I1047-L1051 WeakPolarHBondContact O-CG 3.47Å; S1048-L1051 CarbonylContact O-C 3.54Å; S1048-L1051 WeakPolarHBondContact O-CA 3.24Å; S1048-L1051 PolarHBondContact O-N 3.41Å; E1049-L1051 VanDerWaalsContact C-N 3.33Å; E1049-L1051 PolarHBondContact O-N 3.48Å; L1051-N1053 PolarHBondContact O-N 2.92Å; L1051-Q1054 VanDerWaalsContact O-CB 3.26Å; L1051-Q1054 WeakPolarHBondContact O-CB 3.48Å; L1051-Q1054 PolarHBondContact O-N 2.69Å; L1051-W1056 HydrophobicContact CD2-CH2 4.3Å; L1051-F1057 HydrophobicContact CB-CD1 3.82Å; L1051-F1057 HydrophobicContact CB-CD2 4.37Å; L1051-F1057 HydrophobicContact CB-CE1 3.92Å; L1051-F1057 HydrophobicContact CB-CE2 4.47Å; L1051-F1057 HydrophobicContact CB-CG 4.05Å; L1051-F1057 HydrophobicContact CB-CZ 4.25Å; L1051-F1057 HydrophobicContact CD1-CE2 4.43Å; L1051-F1057 HydrophobicContact CD1-CZ 4.48Å; L1051-F1057 WeakPolarHBondContact O-CB 3.01Å; L1051-F1057 VanDerWaalsContact O-CD1 3.3Å; L1051-F1057 WeakPolarHBondContact O-CD1 3.13Å; L1051-L1090 HydrophobicContact CD1-CD1 3.63Å; L1051-V1126 HydrophobicContact CD1-CG2 4.15Å; L1051-V1126 HydrophobicContact CD2-CB 3.73Å; L1051-V1126 HydrophobicContact CD2-CG1 4.43Å; L1051-V1126 HydrophobicContact CD2-CG2 3.96Å
1052E80.2Confident72.5Confident69 Ų6967.1 Ų67.132%0.32237%0.369SS..Hα-helixtrans-63.7-23.1-179.2-78.3-179.2-174.300113.5S1048 Q1054 F1057 R1059S1048-E1052 WeakPolarHBondContact O-CB 3.43Å; S1048-E1052 VanDerWaalsContact O-CG 3.24Å; S1048-E1052 WeakPolarHBondContact O-CG 3.14Å; S1048-E1052 PolarHBondContact O-N 2.84Å; E1052-Q1054 VanDerWaalsContact C-N 3.31Å; E1052-F1057 HydrophobicContact CG-CE1 4.27Å; E1052-R1059 IonicContact OE1-CZ 3.31Å; E1052-R1059 VanDerWaalsContact OE1-CZ 3.32Å; E1052-R1059 IonicContact OE1-NE 3.95Å; E1052-R1059 IonicContact OE1-NH1 2.98Å; E1052-R1059 PolarHBondContact OE1-NH1 2.79Å; E1052-R1059 IonicContact OE1-NH2 2.85Å; E1052-R1059 IonicContact OE2-CZ 3.65Å; E1052-R1059 IonicContact OE2-NH1 3.98Å; E1052-R1059 PolarHBondContact OE2-NH1 3.2Å; E1052-R1059 IonicContact OE2-NH2 3.26Å; E1052-R1059 PolarHBondContact OE2-NH2 3.15Å
1053N83Confident75.5Confident134 Ų13469.4 Ų69.472%0.71737%0.366SS*.THydrogen-bonded Turntrans-81.1-3.5172.4-67.1-51.3000113.7E1049 L1051E1049-N1053 PolarHBondContact O-ND2 3.24Å; L1051-N1053 PolarHBondContact O-N 2.92Å
1054Q90.2Very high78.1Confident61 Ų6168.1 Ų68.129%0.28536%0.357SS..  trans-94.5121.2-179.1-59.8-62.6-51.800111.2L1051 E1052 W1056 F1057L1051-Q1054 VanDerWaalsContact O-CB 3.26Å; L1051-Q1054 WeakPolarHBondContact O-CB 3.48Å; L1051-Q1054 PolarHBondContact O-N 2.69Å; E1052-Q1054 VanDerWaalsContact C-N 3.31Å; Q1054-W1056 HydrophobicContact CB-CD2 4Å; Q1054-W1056 HydrophobicContact CB-CE3 4.43Å; Q1054-W1056 HydrophobicContact CB-CG 4.49Å; Q1054-W1056 HydrophobicContact CB-CH2 4.18Å; Q1054-W1056 HydrophobicContact CB-CZ2 3.72Å; Q1054-W1056 HydrophobicContact CG-CH2 4.01Å; Q1054-W1056 HydrophobicContact CG-CZ2 3.52Å; Q1054-W1056 PolarHBondContact O-N 3.27Å; Q1054-W1056 VanDerWaalsContact O-N 3.15Å; Q1054-W1056 VanDerWaalsContact OE1-NE1 3.1Å; Q1054-F1057 HydrophobicContact CB-CB 4.08Å; Q1054-F1057 WeakPolarHBondContact O-CB 3.39Å; Q1054-F1057 PolarHBondContact O-N 3.04Å
1055L91.4Very high80.6Confident120 Ų12070.2 Ų70.263%0.62836%0.364SS*.THydrogen-bonded Turntrans-58.4-31.3-179.6-62.7178.5000113.3F1057 S1153 R1154L1055-F1057 VanDerWaalsContact C-N 3.27Å; L1055-F1057 PolarHBondContact O-N 3.38Å; L1055-S1153 CarbonylContact O-C 3.52Å; L1055-S1153 WeakPolarHBondContact O-CA 3.43Å; L1055-R1154 PolarHBondContact O-N 3.18Å
1056W93.7Very high83Confident23 Ų2366.3 Ų66.39%0.08734%0.34CS..THydrogen-bonded Turntrans-800177.649.1-96.9000114.3L1051 Q1054 F1078 V1080 V1126 I1130 P1151L1051-W1056 HydrophobicContact CD2-CH2 4.3Å; Q1054-W1056 HydrophobicContact CB-CD2 4Å; Q1054-W1056 HydrophobicContact CB-CE3 4.43Å; Q1054-W1056 HydrophobicContact CB-CG 4.49Å; Q1054-W1056 HydrophobicContact CB-CH2 4.18Å; Q1054-W1056 HydrophobicContact CB-CZ2 3.72Å; Q1054-W1056 HydrophobicContact CG-CH2 4.01Å; Q1054-W1056 HydrophobicContact CG-CZ2 3.52Å; Q1054-W1056 PolarHBondContact O-N 3.27Å; Q1054-W1056 VanDerWaalsContact O-N 3.15Å; Q1054-W1056 VanDerWaalsContact OE1-NE1 3.1Å; W1056-F1078 HydrophobicContact CB-CE2 4.18Å; W1056-F1078 HydrophobicContact CG-CE2 4.24Å; W1056-V1080 HydrophobicContact CE3-CB 3.78Å; W1056-V1080 HydrophobicContact CE3-CG2 3.63Å; W1056-V1080 HydrophobicContact CZ3-CB 3.76Å; W1056-V1080 HydrophobicContact CZ3-CG1 4.44Å; W1056-V1080 HydrophobicContact CZ3-CG2 3.58Å; W1056-V1080 PolarHBondContact O-N 3.38Å; W1056-V1126 HydrophobicContact CH2-CB 4.44Å; W1056-V1126 HydrophobicContact CH2-CG1 3.97Å; W1056-V1126 HydrophobicContact CZ3-CG1 4.02Å; W1056-I1130 HydrophobicContact CH2-CG1 4.13Å; W1056-I1130 HydrophobicContact CZ2-CG1 4.44Å; W1056-I1130 HydrophobicContact CZ3-CG1 4.2Å; W1056-P1151 HydrophobicContact CB-CB 3.84Å; W1056-P1151 HydrophobicContact CG-CB 4.38Å
1057F95.2Very high85.4Confident11 Ų1165.2 Ų65.25%0.04832%0.323CS..EExtended strand (participates in β ladder)trans-100.4115.7179.6-178.2-114000111.8L1051 E1052 Q1054 L1055 R1059 V1080 L1090 R1154L1051-F1057 HydrophobicContact CB-CD1 3.82Å; L1051-F1057 HydrophobicContact CB-CD2 4.37Å; L1051-F1057 HydrophobicContact CB-CE1 3.92Å; L1051-F1057 HydrophobicContact CB-CE2 4.47Å; L1051-F1057 HydrophobicContact CB-CG 4.05Å; L1051-F1057 HydrophobicContact CB-CZ 4.25Å; L1051-F1057 HydrophobicContact CD1-CE2 4.43Å; L1051-F1057 HydrophobicContact CD1-CZ 4.48Å; L1051-F1057 WeakPolarHBondContact O-CB 3.01Å; L1051-F1057 VanDerWaalsContact O-CD1 3.3Å; L1051-F1057 WeakPolarHBondContact O-CD1 3.13Å; E1052-F1057 HydrophobicContact CG-CE1 4.27Å; Q1054-F1057 HydrophobicContact CB-CB 4.08Å; Q1054-F1057 WeakPolarHBondContact O-CB 3.39Å; Q1054-F1057 PolarHBondContact O-N 3.04Å; L1055-F1057 VanDerWaalsContact C-N 3.27Å; L1055-F1057 PolarHBondContact O-N 3.38Å; F1057-R1059 HydrophobicContact CE1-CG 4.17Å; F1057-V1080 CarbonylContact C-O 3.54Å; F1057-V1080 WeakPolarHBondContact CA-O 3.3Å; F1057-V1080 HydrophobicContact CD2-CB 4.22Å; F1057-V1080 HydrophobicContact CD2-CG1 4.02Å; F1057-V1080 HydrophobicContact CE2-CG1 4.35Å; F1057-L1090 HydrophobicContact CE2-CD1 4.2Å; F1057-L1090 HydrophobicContact CE2-CD2 3.95Å; F1057-L1090 HydrophobicContact CZ-CD2 4.33Å; F1057-R1154 WeakPolarHBondContact O-CD 3.43Å
1058H93.2Very high87.3Confident12 Ų1270.2 Ų70.26%0.05634%0.343CS..EExtended strand (participates in β ladder)trans-112.8100-178.4-62.2-121.5000109.4L1061 V1080 R1081 I1152 S1153 R1154H1058-L1061 HydrophobicContact CB-CB 3.72Å; H1058-L1061 HydrophobicContact CB-CD1 4.5Å; H1058-L1061 HydrophobicContact CB-CD2 3.8Å; H1058-L1061 HydrophobicContact CB-CG 4.22Å; H1058-V1080 PolarHBondContact N-O 2.98Å; H1058-R1081 VanDerWaalsContact O-CA 3.27Å; H1058-R1081 WeakPolarHBondContact O-CA 3.35Å; H1058-R1081 WeakPolarHBondContact O-CB 3.44Å; H1058-I1152 PolarHBondContact NE2-O 3.34Å; H1058-S1153 PolarHBondContact CE1-O 3.24Å; H1058-R1154 WeakPolarHBondContact CE1-CA 3.21Å; H1058-R1154 PolarHBondContact CE1-N 3.15Å; H1058-R1154 PolarHBondContact NE2-N 3.19Å
1059R88.8Confident89Confident86 Ų8672.1 Ų72.133%0.32535%0.351SS..THydrogen-bonded Turntrans-39.5-81.5-170.7-56-177-166.4-141.9-4.5113.6E1052 F1057 R1082E1052-R1059 IonicContact OE1-CZ 3.31Å; E1052-R1059 VanDerWaalsContact OE1-CZ 3.32Å; E1052-R1059 IonicContact OE1-NE 3.95Å; E1052-R1059 IonicContact OE1-NH1 2.98Å; E1052-R1059 PolarHBondContact OE1-NH1 2.79Å; E1052-R1059 IonicContact OE1-NH2 2.85Å; E1052-R1059 IonicContact OE2-CZ 3.65Å; E1052-R1059 IonicContact OE2-NH1 3.98Å; E1052-R1059 PolarHBondContact OE2-NH1 3.2Å; E1052-R1059 IonicContact OE2-NH2 3.26Å; E1052-R1059 PolarHBondContact OE2-NH2 3.15Å; F1057-R1059 HydrophobicContact CE1-CG 4.17Å; R1059-R1082 WeakPolarHBondContact O-CB 3.37Å; R1059-R1082 PolarHBondContact O-N 2.9Å
1060D88.2Confident91.2Very high136 Ų13666.1 Ų66.173%0.72732%0.323SS*.THydrogen-bonded Turntrans-106.843.3-171.9-54.6-75.1000111.9
1061L93.7Very high92.2Very high26 Ų2666.4 Ų66.414%0.13632%0.322CS..  trans-77.7122.7179.1-162.575.8000110.8H1058 H1065 A1066 L1069 L1079 R1081H1058-L1061 HydrophobicContact CB-CB 3.72Å; H1058-L1061 HydrophobicContact CB-CD1 4.5Å; H1058-L1061 HydrophobicContact CB-CD2 3.8Å; H1058-L1061 HydrophobicContact CB-CG 4.22Å; L1061-H1065 HydrophobicContact CD1-CB 4.18Å; L1061-H1065 HydrophobicContact CG-CB 4.42Å; L1061-A1066 HydrophobicContact CD2-CB 3.79Å; L1061-A1066 HydrophobicContact CG-CB 4.43Å; L1061-L1069 HydrophobicContact CD1-CD1 4.32Å; L1061-L1069 HydrophobicContact CD2-CD1 4.14Å; L1061-L1079 HydrophobicContact CD2-CD1 3.73Å; L1061-L1079 HydrophobicContact CD2-CD2 3.76Å; L1061-L1079 HydrophobicContact CD2-CG 4.43Å; L1061-R1081 HydrophobicContact CB-CB 3.92Å; L1061-R1081 WeakPolarHBondContact O-CD 3.27Å; L1061-R1081 PolarHBondContact O-NH1 3.38Å
1062S94.5Very high92.5Very high39 Ų3971.3 Ų71.327%0.27336%0.357SS..  trans-66.7157.5174.674.80000111.9S1064 H1065 A1066 E1084S1062-S1064 VanDerWaalsContact C-N 3.34Å; S1062-S1064 PolarHBondContact O-N 3.11Å; S1062-S1064 PolarHBondContact OG-OG 3.49Å; S1062-H1065 PolarHBondContact O-N 2.87Å; S1062-H1065 VanDerWaalsContact OG-CB 3.29Å; S1062-H1065 WeakPolarHBondContact OG-CB 3.34Å; S1062-H1065 PolarHBondContact OG-N 2.85Å; S1062-H1065 VanDerWaalsContact OG-N 3.1Å; S1062-A1066 WeakPolarHBondContact O-CB 3.38Å; S1062-A1066 PolarHBondContact O-N 2.79Å; S1062-E1084 VanDerWaalsContact CA-OE1 3.23Å; S1062-E1084 WeakPolarHBondContact CA-OE1 3.22Å; S1062-E1084 VanDerWaalsContact CB-OE1 3.32Å; S1062-E1084 WeakPolarHBondContact CB-OE1 3.36Å
1063R95.7Very high93.2Very high125 Ų12569.2 Ų69.247%0.47235%0.349SS..Hα-helixtrans-57.5-49.1174.2177.8171.6172.9169.2-0.2110.9H1065 A1066 E1067 E1084 H1102R1063-H1065 VanDerWaalsContact C-N 3.26Å; R1063-H1065 PolarHBondContact O-N 2.93Å; R1063-A1066 WeakPolarHBondContact O-CB 3.15Å; R1063-A1066 PolarHBondContact O-N 2.55Å; R1063-A1066 VanDerWaalsContact O-N 3.17Å; R1063-E1067 HydrophobicContact CG-CG 4.35Å; R1063-E1067 WeakPolarHBondContact CG-OE1 3.49Å; R1063-E1067 IonicContact CZ-OE1 3.02Å; R1063-E1067 IonicContact NE-OE1 3.12Å; R1063-E1067 PolarHBondContact NE-OE1 2.86Å; R1063-E1067 IonicContact NH2-OE1 2.81Å; R1063-E1067 PolarHBondContact NH2-OE1 3.09Å; R1063-E1067 WeakPolarHBondContact O-CB 3.35Å; R1063-E1067 WeakPolarHBondContact O-CG 3.34Å; R1063-E1067 PolarHBondContact O-N 3.02Å; R1063-E1084 WeakPolarHBondContact CB-OE2 3.29Å; R1063-E1084 PolarHBondContact N-OE1 3.01Å; R1063-E1084 PolarHBondContact N-OE2 2.82Å; R1063-E1084 VanDerWaalsContact N-OE2 3.15Å; R1063-H1102 PolarHBondContact NE-CD2 3.17Å
1064S96.2Very high93.7Very high70 Ų7066.5 Ų66.549%0.4934%0.339SS..Hα-helixtrans-64.9-29.8-177.857.40000112.6S1062 K1068S1062-S1064 VanDerWaalsContact C-N 3.34Å; S1062-S1064 PolarHBondContact O-N 3.11Å; S1062-S1064 PolarHBondContact OG-OG 3.49Å; S1064-K1068 VanDerWaalsContact O-CG 3.28Å; S1064-K1068 WeakPolarHBondContact O-CG 3.23Å; S1064-K1068 PolarHBondContact O-N 3.37Å
1065H95.2Very high94Very high89 Ų8966.9 Ų66.941%0.41235%0.345SS..Hα-helixtrans-77.5-40.4172.3-160.9116.4000111.7L1061 S1062 R1063 E1067 K1068 L1069L1061-H1065 HydrophobicContact CD1-CB 4.18Å; L1061-H1065 HydrophobicContact CG-CB 4.42Å; S1062-H1065 PolarHBondContact O-N 2.87Å; S1062-H1065 VanDerWaalsContact OG-CB 3.29Å; S1062-H1065 WeakPolarHBondContact OG-CB 3.34Å; S1062-H1065 PolarHBondContact OG-N 2.85Å; S1062-H1065 VanDerWaalsContact OG-N 3.1Å; R1063-H1065 VanDerWaalsContact C-N 3.26Å; R1063-H1065 PolarHBondContact O-N 2.93Å; H1065-E1067 VanDerWaalsContact C-N 3.33Å; H1065-E1067 PolarHBondContact O-N 3.44Å; H1065-K1068 WeakPolarHBondContact O-CB 3.23Å; H1065-K1068 PolarHBondContact O-N 3.41Å; H1065-K1068 VanDerWaalsContact O-N 3.14Å; H1065-L1069 PolarHBondContact O-N 3.14Å
1066A96.3Very high94.1Very high0 Ų061.3 Ų61.30%032%0.316CS..Hα-helixtrans-59.5-42.4172.900000112.3L1061 S1062 R1063 L1069 L1070 L1079L1061-A1066 HydrophobicContact CD2-CB 3.79Å; L1061-A1066 HydrophobicContact CG-CB 4.43Å; S1062-A1066 WeakPolarHBondContact O-CB 3.38Å; S1062-A1066 PolarHBondContact O-N 2.79Å; R1063-A1066 WeakPolarHBondContact O-CB 3.15Å; R1063-A1066 PolarHBondContact O-N 2.55Å; R1063-A1066 VanDerWaalsContact O-N 3.17Å; A1066-L1069 PolarHBondContact O-N 3.09Å; A1066-L1070 WeakPolarHBondContact O-CB 3.03Å; A1066-L1070 WeakPolarHBondContact O-CG 3.46Å; A1066-L1070 PolarHBondContact O-N 3.41Å; A1066-L1079 HydrophobicContact CB-CD1 4.06Å; A1066-L1079 HydrophobicContact CB-CD2 4.38Å
1067E96.8Very high94.2Very high46 Ų4660.2 Ų60.222%0.21531%0.313CS..Hα-helixtrans-61.9-40.7173-72.1175.7-167.200111.7R1063 H1065 L1070 K1071 V1100 H1102R1063-E1067 HydrophobicContact CG-CG 4.35Å; R1063-E1067 WeakPolarHBondContact CG-OE1 3.49Å; R1063-E1067 IonicContact CZ-OE1 3.02Å; R1063-E1067 IonicContact NE-OE1 3.12Å; R1063-E1067 PolarHBondContact NE-OE1 2.86Å; R1063-E1067 IonicContact NH2-OE1 2.81Å; R1063-E1067 PolarHBondContact NH2-OE1 3.09Å; R1063-E1067 WeakPolarHBondContact O-CB 3.35Å; R1063-E1067 WeakPolarHBondContact O-CG 3.34Å; R1063-E1067 PolarHBondContact O-N 3.02Å; H1065-E1067 VanDerWaalsContact C-N 3.33Å; H1065-E1067 PolarHBondContact O-N 3.44Å; E1067-L1070 PolarHBondContact O-N 2.94Å; E1067-K1071 WeakPolarHBondContact O-CB 3.06Å; E1067-K1071 WeakPolarHBondContact O-CD 3.41Å; E1067-K1071 WeakPolarHBondContact O-CG 3.24Å; E1067-K1071 PolarHBondContact O-N 3.18Å; E1067-V1100 HydrophobicContact CG-CB 4.2Å; E1067-V1100 HydrophobicContact CG-CG1 4.19Å; E1067-H1102 WeakPolarHBondContact CG-NE2 3.23Å; E1067-H1102 IonicContact OE1-CD2 3.36Å; E1067-H1102 IonicContact OE1-NE2 2.71Å; E1067-H1102 PolarHBondContact OE1-NE2 3.47Å
1068K95.2Very high94.3Very high145 Ų14560 Ų6063%0.6331%0.312SS*.Hα-helixtrans-62-48.1174.5-77.3172.2-179.5-174.20112.2S1064 H1065 L1070 K1071S1064-K1068 VanDerWaalsContact O-CG 3.28Å; S1064-K1068 WeakPolarHBondContact O-CG 3.23Å; S1064-K1068 PolarHBondContact O-N 3.37Å; H1065-K1068 WeakPolarHBondContact O-CB 3.23Å; H1065-K1068 PolarHBondContact O-N 3.41Å; H1065-K1068 VanDerWaalsContact O-N 3.14Å; K1068-L1070 VanDerWaalsContact C-N 3.3Å; K1068-L1070 PolarHBondContact O-N 3.12Å; K1068-K1071 PolarHBondContact O-N 3.42Å
1069L94.7Very high94.5Very high61 Ų6159.5 Ų59.532%0.31931%0.309SS..Hα-helixtrans-63.8-33.6178.5-69.9176.8000112.8L1061 H1065 A1066 T1073 L1079L1061-L1069 HydrophobicContact CD1-CD1 4.32Å; L1061-L1069 HydrophobicContact CD2-CD1 4.14Å; H1065-L1069 PolarHBondContact O-N 3.14Å; A1066-L1069 PolarHBondContact O-N 3.09Å; L1069-T1073 WeakPolarHBondContact O-CG2 3.35Å; L1069-L1079 HydrophobicContact CD1-CD2 4.42Å
1070L95.9Very high94.8Very high0 Ų055.4 Ų55.40%029%0.294CS..Hα-helixtrans-83.6-24.5-178.5-73167.6000113.5A1066 E1067 K1068 S1072 T1073 L1079 K1095 V1100 I1152A1066-L1070 WeakPolarHBondContact O-CB 3.03Å; A1066-L1070 WeakPolarHBondContact O-CG 3.46Å; A1066-L1070 PolarHBondContact O-N 3.41Å; E1067-L1070 PolarHBondContact O-N 2.94Å; K1068-L1070 VanDerWaalsContact C-N 3.3Å; K1068-L1070 PolarHBondContact O-N 3.12Å; L1070-S1072 VanDerWaalsContact C-N 3.33Å; L1070-S1072 PolarHBondContact O-N 3.21Å; L1070-T1073 PolarHBondContact O-N 3.19Å; L1070-T1073 PolarHBondContact O-OG1 2.95Å; L1070-L1079 HydrophobicContact CD1-CG 4.46Å; L1070-L1079 HydrophobicContact CG-CD2 4.44Å; L1070-K1095 HydrophobicContact CB-CB 4.25Å; L1070-K1095 HydrophobicContact CD2-CB 4.22Å; L1070-K1095 VanDerWaalsContact O-CD 3.3Å; L1070-K1095 WeakPolarHBondContact O-CD 3.4Å; L1070-V1100 HydrophobicContact CB-CG1 4.47Å; L1070-V1100 HydrophobicContact CB-CG2 4.03Å; L1070-V1100 HydrophobicContact CD1-CG1 3.75Å; L1070-I1152 HydrophobicContact CD2-CG1 3.89Å
1071K93.6Very high95.2Very high134 Ų13449.2 Ų49.258%0.58326%0.26SS*.Hα-helixtrans-56.3-41-176.4-89.8165.3-173.4-178.50113.8E1067 K1068 T1073E1067-K1071 WeakPolarHBondContact O-CB 3.06Å; E1067-K1071 WeakPolarHBondContact O-CD 3.41Å; E1067-K1071 WeakPolarHBondContact O-CG 3.24Å; E1067-K1071 PolarHBondContact O-N 3.18Å; K1068-K1071 PolarHBondContact O-N 3.42Å; K1071-T1073 VanDerWaalsContact C-N 3.35Å; K1071-T1073 PolarHBondContact O-N 3.03Å
1072S90.5Very high95.2Very high111 Ų11151.4 Ų51.478%0.77627%0.267SS*.THydrogen-bonded Turntrans-94.226.6-179.261.70000113.9L1070L1070-S1072 VanDerWaalsContact C-N 3.33Å; L1070-S1072 PolarHBondContact O-N 3.21Å
1073T94.4Very high95.1Very high25 Ų2549.9 Ų49.915%0.15326%0.256CS..SBendtrans-122.4156.1-176.767.10000111.1L1069 L1070 K1071 S1077 K1095 I1152L1069-T1073 WeakPolarHBondContact O-CG2 3.35Å; L1070-T1073 PolarHBondContact O-N 3.19Å; L1070-T1073 PolarHBondContact O-OG1 2.95Å; K1071-T1073 VanDerWaalsContact C-N 3.35Å; K1071-T1073 PolarHBondContact O-N 3.03Å; T1073-S1077 WeakPolarHBondContact CB-OG 3.19Å; T1073-S1077 WeakPolarHBondContact OG1-CB 3.37Å; T1073-S1077 PolarHBondContact OG1-OG 3.37Å; T1073-K1095 WeakPolarHBondContact O-CG 3.27Å; T1073-I1152 HydrophobicContact CG2-CD1 3.79Å
1074P95.2Very high94.9Very high77 Ų7748.9 Ų48.950%0.526%0.257SS..  trans-67.7154.3179.625.4-34.1000112.8G1076 S1077 F1150P1074-G1076 PolarHBondContact O-N 3.23Å; P1074-S1077 WeakPolarHBondContact CD-OG 3.41Å; P1074-S1077 VanDerWaalsContact O-CB 3.22Å; P1074-S1077 WeakPolarHBondContact O-CB 3.21Å; P1074-S1077 PolarHBondContact O-N 2.94Å; P1074-S1077 PolarHBondContact O-OG 3.38Å; P1074-F1150 HydrophobicContact CB-CD2 4.28Å; P1074-F1150 HydrophobicContact CB-CE2 4.05Å; P1074-F1150 HydrophobicContact CG-CD2 3.7Å; P1074-F1150 HydrophobicContact CG-CE2 3.83Å; P1074-F1150 HydrophobicContact CG-CG 4.26Å; P1074-F1150 HydrophobicContact CG-CZ 4.48Å
1075T94.7Very high94.6Very high69 Ų6951.9 Ų51.942%0.42327%0.272SS..THydrogen-bonded Turntrans-54.1132.6175-60.80000111.7
1076G94.3Very high94.2Very high2 Ų248.6 Ų48.62%0.02126%0.26CS..THydrogen-bonded Turntrans88.74.1-171.900000114.5P1074 K1095 L1147 R1149 F1150P1074-G1076 PolarHBondContact O-N 3.23Å; G1076-K1095 PolarHBondContact N-O 3.01Å; G1076-L1147 VanDerWaalsContact CA-O 3.27Å; G1076-L1147 WeakPolarHBondContact CA-O 3.35Å; G1076-R1149 PolarHBondContact O-N 2.96Å; G1076-F1150 PolarHBondContact O-N 3.25Å; G1076-F1150 VanDerWaalsContact O-N 3.12Å
1077S96.6Very high93.6Very high1 Ų156.7 Ų56.71%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-70.7142.9166.4-58.50000111.4T1073 P1074 I1094 K1095 F1150T1073-S1077 WeakPolarHBondContact CB-OG 3.19Å; T1073-S1077 WeakPolarHBondContact OG1-CB 3.37Å; T1073-S1077 PolarHBondContact OG1-OG 3.37Å; P1074-S1077 WeakPolarHBondContact CD-OG 3.41Å; P1074-S1077 VanDerWaalsContact O-CB 3.22Å; P1074-S1077 WeakPolarHBondContact O-CB 3.21Å; P1074-S1077 PolarHBondContact O-N 2.94Å; P1074-S1077 PolarHBondContact O-OG 3.38Å; S1077-I1094 CarbonylContact O-C 3.6Å; S1077-I1094 WeakPolarHBondContact O-CA 3.49Å; S1077-K1095 PolarHBondContact O-N 2.85Å; S1077-F1150 CarbonylContact C-O 3.44Å; S1077-F1150 VanDerWaalsContact CA-O 3.24Å; S1077-F1150 WeakPolarHBondContact CA-O 3.46Å
1078F97Very high93.1Very high7 Ų759.8 Ų59.83%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-152.1158.3-174.273.8-83.1000114.5W1056 L1092 S1093 I1094 I1130 L1148 F1150 P1151 I1152W1056-F1078 HydrophobicContact CB-CE2 4.18Å; W1056-F1078 HydrophobicContact CG-CE2 4.24Å; F1078-L1092 HydrophobicContact CB-CD1 4.13Å; F1078-L1092 HydrophobicContact CD2-CD1 3.95Å; F1078-L1092 HydrophobicContact CG-CD1 4.45Å; F1078-S1093 CarbonylContact C-O 3.57Å; F1078-S1093 VanDerWaalsContact CA-O 3.24Å; F1078-S1093 WeakPolarHBondContact CA-O 3.36Å; F1078-I1094 HydrophobicContact CB-CB 4.5Å; F1078-I1094 HydrophobicContact CB-CG1 3.96Å; F1078-I1130 HydrophobicContact CD2-CD1 4.42Å; F1078-I1130 HydrophobicContact CE2-CD1 4.23Å; F1078-I1130 HydrophobicContact CE2-CG2 3.56Å; F1078-I1130 HydrophobicContact CZ-CG2 3.71Å; F1078-L1148 HydrophobicContact CB-CD2 3.88Å; F1078-L1148 HydrophobicContact CD1-CB 3.71Å; F1078-L1148 HydrophobicContact CD1-CD2 4.16Å; F1078-L1148 HydrophobicContact CD1-CG 4.44Å; F1078-L1148 HydrophobicContact CD2-CD1 4.46Å; F1078-L1148 HydrophobicContact CD2-CD2 4.47Å; F1078-L1148 HydrophobicContact CE1-CB 3.72Å; F1078-L1148 HydrophobicContact CG-CB 4.19Å; F1078-L1148 HydrophobicContact CG-CD2 3.91Å; F1078-L1148 HydrophobicContact CG-CG 4.47Å; F1078-L1148 HydrophobicContact CZ-CB 4.23Å; F1078-F1150 WeakPolarHBondContact CD1-O 3.27Å; F1078-F1150 PolarHBondContact N-O 3.26Å; F1078-P1151 HydrophobicContact CE1-CB 4.02Å; F1078-P1151 HydrophobicContact CE2-CB 4.38Å; F1078-P1151 HydrophobicContact CZ-CB 3.77Å; F1078-I1152 PolarHBondContact O-N 2.91Å
1079L96.5Very high93Very high0 Ų054.3 Ų54.30%029%0.294CS..EExtended strand (participates in β ladder)trans-145.4157.7166.961.985.5000110.8L1061 A1066 L1069 L1070 R1081 S1093 I1152L1061-L1079 HydrophobicContact CD2-CD1 3.73Å; L1061-L1079 HydrophobicContact CD2-CD2 3.76Å; L1061-L1079 HydrophobicContact CD2-CG 4.43Å; A1066-L1079 HydrophobicContact CB-CD1 4.06Å; A1066-L1079 HydrophobicContact CB-CD2 4.38Å; L1069-L1079 HydrophobicContact CD1-CD2 4.42Å; L1070-L1079 HydrophobicContact CD1-CG 4.46Å; L1070-L1079 HydrophobicContact CG-CD2 4.44Å; L1079-R1081 HydrophobicContact CD1-CB 4.1Å; L1079-R1081 HydrophobicContact CD1-CG 4.32Å; L1079-S1093 PolarHBondContact N-O 2.68Å; L1079-S1093 PolarHBondContact O-N 2.86Å; L1079-I1152 HydrophobicContact CB-CB 4.41Å; L1079-I1152 HydrophobicContact CD2-CB 4.49Å; L1079-I1152 HydrophobicContact CD2-CG2 4.45Å
1080V96.4Very high93Very high0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-109.6137.8168.2-179.40000108.8W1056 F1057 H1058 L1090 S1091 L1092 I1105 V1126 I1130W1056-V1080 HydrophobicContact CE3-CB 3.78Å; W1056-V1080 HydrophobicContact CE3-CG2 3.63Å; W1056-V1080 HydrophobicContact CZ3-CB 3.76Å; W1056-V1080 HydrophobicContact CZ3-CG1 4.44Å; W1056-V1080 HydrophobicContact CZ3-CG2 3.58Å; W1056-V1080 PolarHBondContact O-N 3.38Å; F1057-V1080 CarbonylContact C-O 3.54Å; F1057-V1080 WeakPolarHBondContact CA-O 3.3Å; F1057-V1080 HydrophobicContact CD2-CB 4.22Å; F1057-V1080 HydrophobicContact CD2-CG1 4.02Å; F1057-V1080 HydrophobicContact CE2-CG1 4.35Å; H1058-V1080 PolarHBondContact N-O 2.98Å; V1080-L1090 HydrophobicContact CG1-CB 4.06Å; V1080-L1090 HydrophobicContact CG1-CD1 4.22Å; V1080-S1091 WeakPolarHBondContact CA-O 3.45Å; V1080-L1092 HydrophobicContact CG2-CB 4.48Å; V1080-L1092 HydrophobicContact CG2-CD1 3.97Å; V1080-I1105 HydrophobicContact CG1-CD1 3.82Å; V1080-I1105 HydrophobicContact CG2-CD1 4.32Å; V1080-V1126 HydrophobicContact CG1-CG1 4.45Å; V1080-V1126 HydrophobicContact CG2-CG1 4.45Å; V1080-I1130 HydrophobicContact CG2-CD1 3.81Å; V1080-I1130 HydrophobicContact CG2-CG1 4.31Å
1081R95.3Very high92.9Very high7 Ų752.7 Ų52.73%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-136.4165.5178.966.1-165.9-171.2815.3111H1058 L1061 L1079 E1084 L1090 S1091 S1093H1058-R1081 VanDerWaalsContact O-CA 3.27Å; H1058-R1081 WeakPolarHBondContact O-CA 3.35Å; H1058-R1081 WeakPolarHBondContact O-CB 3.44Å; L1061-R1081 HydrophobicContact CB-CB 3.92Å; L1061-R1081 WeakPolarHBondContact O-CD 3.27Å; L1061-R1081 PolarHBondContact O-NH1 3.38Å; L1079-R1081 HydrophobicContact CD1-CB 4.1Å; L1079-R1081 HydrophobicContact CD1-CG 4.32Å; R1081-E1084 IonicContact CZ-OE2 3.79Å; R1081-E1084 IonicContact NH1-OE2 2.68Å; R1081-E1084 PolarHBondContact NH1-OE2 3.34Å; R1081-E1084 IonicContact NH2-OE2 2.86Å; R1081-E1084 PolarHBondContact NH2-OE2 2.85Å; R1081-L1090 CarbonylContact O-C 3.57Å; R1081-L1090 WeakPolarHBondContact O-CA 3.26Å; R1081-S1091 PolarHBondContact N-O 2.91Å; R1081-S1091 PolarHBondContact O-N 3.4Å; R1081-S1093 PolarHBondContact NE-OG 3.25Å
1082R94.2Very high93Very high71 Ų7146.3 Ų46.327%0.26826%0.258SS..EExtended strand (participates in β ladder)trans-67.2144.2169.1-164167.1-174.880.2-12110.4R1059 K1087 L1090R1059-R1082 WeakPolarHBondContact O-CB 3.37Å; R1059-R1082 PolarHBondContact O-N 2.9Å; R1082-K1087 PolarHBondContact NE-O 2.95Å; R1082-K1087 PolarHBondContact NH1-O 3.22Å; R1082-K1087 PolarHBondContact NH2-O 2.92Å; R1082-L1090 HydrophobicContact CB-CD2 4.4Å
1083S93.2Very high93.3Very high8 Ų841 Ų416%0.05622%0.221CC..  trans-76.7132.4-179.8175.30000111.1T1085 S1086 E1089S1083-T1085 PolarHBondContact OG-OG1 3.27Å; S1083-T1085 VanDerWaalsContact OG-OG1 3.1Å; S1083-S1086 WeakPolarHBondContact CB-O 3.4Å; S1083-S1086 WeakPolarHBondContact CB-OG 3.38Å; S1083-S1086 CarbonylContact O-C 3.57Å; S1083-S1086 PolarHBondContact OG-N 3.2Å; S1083-S1086 PolarHBondContact OG-OG 3.19Å; S1083-E1089 VanDerWaalsContact CB-O 3.3Å; S1083-E1089 WeakPolarHBondContact CB-O 3.44Å; S1083-E1089 PolarHBondContact N-O 3.26Å
1084E91Very high93.4Very high103 Ų10339.9 Ų39.948%0.48121%0.214SC..SBendtrans-72.9-35.7175.8-71.6146.6131.500112.3S1062 R1063 R1081 S1086S1062-E1084 VanDerWaalsContact CA-OE1 3.23Å; S1062-E1084 WeakPolarHBondContact CA-OE1 3.22Å; S1062-E1084 VanDerWaalsContact CB-OE1 3.32Å; S1062-E1084 WeakPolarHBondContact CB-OE1 3.36Å; R1063-E1084 WeakPolarHBondContact CB-OE2 3.29Å; R1063-E1084 PolarHBondContact N-OE1 3.01Å; R1063-E1084 PolarHBondContact N-OE2 2.82Å; R1063-E1084 VanDerWaalsContact N-OE2 3.15Å; R1081-E1084 IonicContact CZ-OE2 3.79Å; R1081-E1084 IonicContact NH1-OE2 2.68Å; R1081-E1084 PolarHBondContact NH1-OE2 3.34Å; R1081-E1084 IonicContact NH2-OE2 2.86Å; R1081-E1084 PolarHBondContact NH2-OE2 2.85Å; E1084-S1086 VanDerWaalsContact C-N 3.25Å; E1084-S1086 PolarHBondContact O-N 3.43Å
1085T89.6Confident93.4Very high133 Ų13337.5 Ų37.582%0.81620%0.196SC*.SBendtrans-74.3-19.3179.253.80000112.6S1083S1083-T1085 PolarHBondContact OG-OG1 3.27Å; S1083-T1085 VanDerWaalsContact OG-OG1 3.1Å
1086S87.2Confident93.4Very high21 Ų2135.3 Ų35.315%0.14718%0.18CC..  trans-155.293.6-166.437.20000110.9S1083 E1084 T1088 E1089S1083-S1086 WeakPolarHBondContact CB-O 3.4Å; S1083-S1086 WeakPolarHBondContact CB-OG 3.38Å; S1083-S1086 CarbonylContact O-C 3.57Å; S1083-S1086 PolarHBondContact OG-N 3.2Å; S1083-S1086 PolarHBondContact OG-OG 3.19Å; E1084-S1086 VanDerWaalsContact C-N 3.25Å; E1084-S1086 PolarHBondContact O-N 3.43Å; S1086-T1088 PolarHBondContact O-N 3.11Å; S1086-E1089 WeakPolarHBondContact CB-OE2 3.26Å; S1086-E1089 PolarHBondContact O-N 2.98Å; S1086-E1089 PolarHBondContact OG-OE2 2.62Å
1087K84Confident93.2Very high169 Ų16941.9 Ų41.974%0.73521%0.21SC*.THydrogen-bonded Turntrans-57.5-19.7-177.5-65.1-177.8179.9179.60114.4R1082 E1089R1082-K1087 PolarHBondContact NE-O 2.95Å; R1082-K1087 PolarHBondContact NH1-O 3.22Å; R1082-K1087 PolarHBondContact NH2-O 2.92Å; K1087-E1089 VanDerWaalsContact C-N 3.35Å
1088T86.1Confident92.8Very high112 Ų11247.3 Ų47.369%0.68725%0.248SC*.THydrogen-bonded Turntrans-80.5-10.9175.344.10000114S1086S1086-T1088 PolarHBondContact O-N 3.11Å
1089E91.7Very high92.7Very high30 Ų3050 Ų5014%0.1426%0.263CS..  trans-121.8165.5-168.9-59.1-178145.500112.1S1083 S1086 K1087 K1104S1083-E1089 VanDerWaalsContact CB-O 3.3Å; S1083-E1089 WeakPolarHBondContact CB-O 3.44Å; S1083-E1089 PolarHBondContact N-O 3.26Å; S1086-E1089 WeakPolarHBondContact CB-OE2 3.26Å; S1086-E1089 PolarHBondContact O-N 2.98Å; S1086-E1089 PolarHBondContact OG-OE2 2.62Å; K1087-E1089 VanDerWaalsContact C-N 3.35Å; E1089-K1104 WeakPolarHBondContact OE1-CE 3.41Å; E1089-K1104 IonicContact OE1-NZ 3.06Å; E1089-K1104 PolarHBondContact OE1-NZ 3.25Å; E1089-K1104 WeakPolarHBondContact OE2-CD 3.34Å; E1089-K1104 WeakPolarHBondContact OE2-CE 3.28Å; E1089-K1104 IonicContact OE2-NZ 3.59Å; E1089-K1104 PolarHBondContact OE2-NZ 2.98Å
1090L94.9Very high92.6Very high15 Ų1551 Ų518%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-115.3166.8177.2-54.4178.5000111L1051 F1057 V1080 R1081 R1082 I1105 V1126L1051-L1090 HydrophobicContact CD1-CD1 3.63Å; F1057-L1090 HydrophobicContact CE2-CD1 4.2Å; F1057-L1090 HydrophobicContact CE2-CD2 3.95Å; F1057-L1090 HydrophobicContact CZ-CD2 4.33Å; V1080-L1090 HydrophobicContact CG1-CB 4.06Å; V1080-L1090 HydrophobicContact CG1-CD1 4.22Å; R1081-L1090 CarbonylContact O-C 3.57Å; R1081-L1090 WeakPolarHBondContact O-CA 3.26Å; R1082-L1090 HydrophobicContact CB-CD2 4.4Å; L1090-I1105 HydrophobicContact CB-CB 4.09Å; L1090-I1105 HydrophobicContact CB-CD1 3.99Å; L1090-I1105 PolarHBondContact N-O 3.11Å; L1090-I1105 PolarHBondContact O-N 3.1Å; L1090-V1126 HydrophobicContact CD1-CG2 4.01Å
1091S95.5Very high92.5Very high11 Ų1152.1 Ų52.18%0.07728%0.275CS..EExtended strand (participates in β ladder)trans-134.6118.4179.1-75.60000110.3V1080 R1081 M1103V1080-S1091 WeakPolarHBondContact CA-O 3.45Å; R1081-S1091 PolarHBondContact N-O 2.91Å; R1081-S1091 PolarHBondContact O-N 3.4Å; S1091-M1103 CarbonylContact C-O 3.57Å; S1091-M1103 WeakPolarHBondContact CA-O 3.28Å
1092L95.7Very high92.4Very high0 Ų053.7 Ų53.70%028%0.282CS..EExtended strand (participates in β ladder)trans-81.1122168173.355.2000108.4F1078 V1080 I1094 H1102 M1103 I1105 L1116 I1130 L1148F1078-L1092 HydrophobicContact CB-CD1 4.13Å; F1078-L1092 HydrophobicContact CD2-CD1 3.95Å; F1078-L1092 HydrophobicContact CG-CD1 4.45Å; V1080-L1092 HydrophobicContact CG2-CB 4.48Å; V1080-L1092 HydrophobicContact CG2-CD1 3.97Å; L1092-I1094 HydrophobicContact CD1-CD1 4.34Å; L1092-I1094 HydrophobicContact CD1-CG1 3.92Å; L1092-I1094 HydrophobicContact CD2-CD1 3.95Å; L1092-I1094 HydrophobicContact CD2-CG1 4.43Å; L1092-I1094 HydrophobicContact CG-CD1 3.78Å; L1092-I1094 HydrophobicContact CG-CG1 3.84Å; L1092-H1102 CarbonylContact O-C 3.52Å; L1092-H1102 WeakPolarHBondContact O-CA 3.39Å; L1092-M1103 HydrophobicContact CD2-CE 3.95Å; L1092-M1103 HydrophobicContact CG-CE 4.42Å; L1092-M1103 PolarHBondContact N-O 3.31Å; L1092-M1103 PolarHBondContact O-N 3.32Å; L1092-I1105 HydrophobicContact CB-CD1 3.98Å; L1092-I1105 HydrophobicContact CB-CG1 4.33Å; L1092-L1116 HydrophobicContact CB-CD1 4.23Å; L1092-L1116 HydrophobicContact CD2-CD1 3.99Å; L1092-L1116 HydrophobicContact CD2-CD2 4.17Å; L1092-I1130 HydrophobicContact CD1-CD1 3.86Å; L1092-I1130 HydrophobicContact CD2-CD1 4.04Å; L1092-L1148 HydrophobicContact CD1-CD1 4.49Å; L1092-L1148 HydrophobicContact CD1-CD2 4.38Å; L1092-L1148 HydrophobicContact CD2-CD1 4.05Å; L1092-L1148 HydrophobicContact CD2-CD2 4.36Å
1093S96.5Very high92.3Very high0 Ų051.7 Ų51.70%028%0.276CS..EExtended strand (participates in β ladder)trans-115.6126.6-179.4-51.10000108.9F1078 L1079 R1081 L1101 H1102F1078-S1093 CarbonylContact C-O 3.57Å; F1078-S1093 VanDerWaalsContact CA-O 3.24Å; F1078-S1093 WeakPolarHBondContact CA-O 3.36Å; L1079-S1093 PolarHBondContact N-O 2.68Å; L1079-S1093 PolarHBondContact O-N 2.86Å; R1081-S1093 PolarHBondContact NE-OG 3.25Å; S1093-L1101 CarbonylContact C-O 3.54Å; S1093-L1101 WeakPolarHBondContact CA-O 3.33Å; S1093-H1102 WeakPolarHBondContact CB-ND1 3.4Å; S1093-H1102 PolarHBondContact OG-CE1 3.49Å; S1093-H1102 PolarHBondContact OG-ND1 2.77Å
1094I95.8Very high92.4Very high1 Ų156.1 Ų56.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-135.5130.9-168-56154.5000110.4S1077 F1078 L1092 R1096 V1100 L1101 M1103 L1138 V1146 L1148S1077-I1094 CarbonylContact O-C 3.6Å; S1077-I1094 WeakPolarHBondContact O-CA 3.49Å; F1078-I1094 HydrophobicContact CB-CB 4.5Å; F1078-I1094 HydrophobicContact CB-CG1 3.96Å; L1092-I1094 HydrophobicContact CD1-CD1 4.34Å; L1092-I1094 HydrophobicContact CD1-CG1 3.92Å; L1092-I1094 HydrophobicContact CD2-CD1 3.95Å; L1092-I1094 HydrophobicContact CD2-CG1 4.43Å; L1092-I1094 HydrophobicContact CG-CD1 3.78Å; L1092-I1094 HydrophobicContact CG-CG1 3.84Å; I1094-R1096 PolarHBondContact O-N 2.77Å; I1094-V1100 CarbonylContact O-C 3.53Å; I1094-V1100 WeakPolarHBondContact O-CA 3.5Å; I1094-L1101 HydrophobicContact CD1-CD2 4.4Å; I1094-L1101 PolarHBondContact N-O 3.27Å; I1094-L1101 PolarHBondContact O-N 3.48Å; I1094-M1103 HydrophobicContact CD1-CE 3.27Å; I1094-L1138 HydrophobicContact CD1-CD1 3.47Å; I1094-L1138 VanDerWaalsContact CD1-CD1 3.47Å; I1094-V1146 HydrophobicContact CG2-CG1 3.98Å; I1094-L1148 HydrophobicContact CD1-CD2 3.7Å; I1094-L1148 HydrophobicContact CG1-CD2 3.69Å; I1094-L1148 HydrophobicContact CG2-CD2 4.36Å
1095K95.6Very high92.5Very high27 Ų2751.4 Ų51.412%0.11727%0.272CS..EExtended strand (participates in β ladder)trans-71.9117.3168-178.960.4168.8101.90109.9L1070 T1073 G1076 S1077 E1097 V1100L1070-K1095 HydrophobicContact CB-CB 4.25Å; L1070-K1095 HydrophobicContact CD2-CB 4.22Å; L1070-K1095 VanDerWaalsContact O-CD 3.3Å; L1070-K1095 WeakPolarHBondContact O-CD 3.4Å; T1073-K1095 WeakPolarHBondContact O-CG 3.27Å; G1076-K1095 PolarHBondContact N-O 3.01Å; S1077-K1095 PolarHBondContact O-N 2.85Å; K1095-E1097 PolarHBondContact NZ-O 3.05Å; K1095-V1100 HydrophobicContact CD-CG2 4.42Å
1096R93.4Very high92.7Very high24 Ų2446.1 Ų46.19%0.09124%0.241CC..  trans-95-173.4163.6-54.6-160.3-69.9-157-5.3108.9I1094 D1099 L1101 T1143 V1146I1094-R1096 PolarHBondContact O-N 2.77Å; R1096-D1099 WeakPolarHBondContact CB-OD1 3.4Å; R1096-D1099 IonicContact CZ-OD1 3.32Å; R1096-D1099 IonicContact CZ-OD2 2.73Å; R1096-D1099 PolarHBondContact N-O 3.32Å; R1096-D1099 IonicContact NE-OD1 2.62Å; R1096-D1099 PolarHBondContact NE-OD1 3.26Å; R1096-D1099 IonicContact NE-OD2 3.01Å; R1096-D1099 VanDerWaalsContact NH2-CG 3.32Å; R1096-D1099 IonicContact NH2-OD1 3.9Å; R1096-D1099 PolarHBondContact NH2-OD1 3.39Å; R1096-D1099 VanDerWaalsContact NH2-OD1 3.12Å; R1096-D1099 IonicContact NH2-OD2 2.65Å; R1096-D1099 PolarHBondContact NH2-OD2 2.9Å; R1096-L1101 HydrophobicContact CG-CB 4.01Å; R1096-T1143 PolarHBondContact NH1-OG1 3.21Å; R1096-V1146 HydrophobicContact CG-CG2 4.09Å
1097E90.9Very high92.9Very high140 Ų14049.6 Ų49.665%0.65426%0.255SS*.SBendtrans-62.4-62.6179.5-171.8166.7-157.800111.5K1095K1095-E1097 PolarHBondContact NZ-O 3.05Å
1098S89.1Confident93.2Very high114 Ų11443.1 Ų43.180%0.79723%0.228SC*.SBendtrans-84.5-31.1-179.851.90000115
1099D93.2Very high93.3Very high63 Ų6343.9 Ų43.934%0.33724%0.235SC..SBendtrans-140.7-170.7-167.472.5-0.6000114.3R1096R1096-D1099 WeakPolarHBondContact CB-OD1 3.4Å; R1096-D1099 IonicContact CZ-OD1 3.32Å; R1096-D1099 IonicContact CZ-OD2 2.73Å; R1096-D1099 PolarHBondContact N-O 3.32Å; R1096-D1099 IonicContact NE-OD1 2.62Å; R1096-D1099 PolarHBondContact NE-OD1 3.26Å; R1096-D1099 IonicContact NE-OD2 3.01Å; R1096-D1099 VanDerWaalsContact NH2-CG 3.32Å; R1096-D1099 IonicContact NH2-OD1 3.9Å; R1096-D1099 PolarHBondContact NH2-OD1 3.39Å; R1096-D1099 VanDerWaalsContact NH2-OD1 3.12Å; R1096-D1099 IonicContact NH2-OD2 2.65Å; R1096-D1099 PolarHBondContact NH2-OD2 2.9Å
1100V94.8Very high93.1Very high21 Ų2149.9 Ų49.913%0.12726%0.263CS..EExtended strand (participates in β ladder)trans-117.8118.4172.7178.50000108.9E1067 L1070 I1094 K1095E1067-V1100 HydrophobicContact CG-CB 4.2Å; E1067-V1100 HydrophobicContact CG-CG1 4.19Å; L1070-V1100 HydrophobicContact CB-CG1 4.47Å; L1070-V1100 HydrophobicContact CB-CG2 4.03Å; L1070-V1100 HydrophobicContact CD1-CG1 3.75Å; I1094-V1100 CarbonylContact O-C 3.53Å; I1094-V1100 WeakPolarHBondContact O-CA 3.5Å; K1095-V1100 HydrophobicContact CD-CG2 4.42Å
1101L93.8Very high92.8Very high24 Ų2453.1 Ų53.113%0.12628%0.284CS..EExtended strand (participates in β ladder)trans-85.9129.3175.7175.463.7000110.1S1093 I1094 R1096 M1103 V1140S1093-L1101 CarbonylContact C-O 3.54Å; S1093-L1101 WeakPolarHBondContact CA-O 3.33Å; I1094-L1101 HydrophobicContact CD1-CD2 4.4Å; I1094-L1101 PolarHBondContact N-O 3.27Å; I1094-L1101 PolarHBondContact O-N 3.48Å; R1096-L1101 HydrophobicContact CG-CB 4.01Å; L1101-M1103 HydrophobicContact CD1-CG 4.38Å; L1101-M1103 HydrophobicContact CD2-CE 3.92Å; L1101-M1103 HydrophobicContact CD2-CG 4.25Å; L1101-M1103 HydrophobicContact CD2-SD 4.24Å; L1101-M1103 HydrophobicContact CG-CG 4.18Å; L1101-V1140 HydrophobicContact CD2-CG1 4.23Å; L1101-V1140 HydrophobicContact CD2-CG2 3.65Å
1102H93.9Very high92.4Very high40 Ų4054.3 Ų54.319%0.18530%0.298CS..EExtended strand (participates in β ladder)trans-110.4128167.5-57.5-77.9000110R1063 E1067 L1092 S1093R1063-H1102 PolarHBondContact NE-CD2 3.17Å; E1067-H1102 WeakPolarHBondContact CG-NE2 3.23Å; E1067-H1102 IonicContact OE1-CD2 3.36Å; E1067-H1102 IonicContact OE1-NE2 2.71Å; E1067-H1102 PolarHBondContact OE1-NE2 3.47Å; L1092-H1102 CarbonylContact O-C 3.52Å; L1092-H1102 WeakPolarHBondContact O-CA 3.39Å; S1093-H1102 WeakPolarHBondContact CB-ND1 3.4Å; S1093-H1102 PolarHBondContact OG-CE1 3.49Å; S1093-H1102 PolarHBondContact OG-ND1 2.77Å
1103M93.3Very high92.2Very high30 Ų3054.6 Ų54.615%0.14830%0.301CS..EExtended strand (participates in β ladder)trans-120.2131.6172.5-71.7-179.1-76.300110.3S1091 L1092 I1094 L1101 L1116 L1138S1091-M1103 CarbonylContact C-O 3.57Å; S1091-M1103 WeakPolarHBondContact CA-O 3.28Å; L1092-M1103 HydrophobicContact CD2-CE 3.95Å; L1092-M1103 HydrophobicContact CG-CE 4.42Å; L1092-M1103 PolarHBondContact N-O 3.31Å; L1092-M1103 PolarHBondContact O-N 3.32Å; I1094-M1103 HydrophobicContact CD1-CE 3.27Å; L1101-M1103 HydrophobicContact CD1-CG 4.38Å; L1101-M1103 HydrophobicContact CD2-CE 3.92Å; L1101-M1103 HydrophobicContact CD2-CG 4.25Å; L1101-M1103 HydrophobicContact CD2-SD 4.24Å; L1101-M1103 HydrophobicContact CG-CG 4.18Å; M1103-L1116 HydrophobicContact CB-CD1 3.7Å; M1103-L1116 HydrophobicContact CB-CG 4.32Å; M1103-L1116 HydrophobicContact CE-CD1 4.44Å; M1103-L1116 HydrophobicContact CE-CD2 4.04Å; M1103-L1116 HydrophobicContact CE-CG 4.48Å; M1103-L1116 HydrophobicContact SD-CD1 4.29Å; M1103-L1116 HydrophobicContact SD-CD2 4.01Å; M1103-L1116 HydrophobicContact SD-CG 4.01Å; M1103-L1138 HydrophobicContact CE-CD1 3.69Å; M1103-L1138 HydrophobicContact CE-CD2 3.83Å; M1103-L1138 HydrophobicContact CE-CG 4.32Å; M1103-L1138 HydrophobicContact SD-CD2 4.45Å
1104K93.7Very high92Very high101 Ų10156 Ų5644%0.43931%0.307SS..EExtended strand (participates in β ladder)trans-67.6133.7172.5165.9170.2158.9146.20110.4E1089 G1117E1089-K1104 WeakPolarHBondContact OE1-CE 3.41Å; E1089-K1104 IonicContact OE1-NZ 3.06Å; E1089-K1104 PolarHBondContact OE1-NZ 3.25Å; E1089-K1104 WeakPolarHBondContact OE2-CD 3.34Å; E1089-K1104 WeakPolarHBondContact OE2-CE 3.28Å; E1089-K1104 IonicContact OE2-NZ 3.59Å; E1089-K1104 PolarHBondContact OE2-NZ 2.98Å; K1104-G1117 PolarHBondContact O-N 2.97Å
1105I94.7Very high91.9Very high3 Ų356.9 Ų56.92%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-110.6106.6168.4-53.7158.4000106.7V1080 L1090 L1092 Y1114 V1115 L1116 V1126 M1129V1080-I1105 HydrophobicContact CG1-CD1 3.82Å; V1080-I1105 HydrophobicContact CG2-CD1 4.32Å; L1090-I1105 HydrophobicContact CB-CB 4.09Å; L1090-I1105 HydrophobicContact CB-CD1 3.99Å; L1090-I1105 PolarHBondContact N-O 3.11Å; L1090-I1105 PolarHBondContact O-N 3.1Å; L1092-I1105 HydrophobicContact CB-CD1 3.98Å; L1092-I1105 HydrophobicContact CB-CG1 4.33Å; I1105-Y1114 HydrophobicContact CG2-CD1 4.2Å; I1105-V1115 WeakPolarHBondContact CA-O 3.2Å; I1105-L1116 HydrophobicContact CG1-CD1 3.77Å; I1105-V1126 HydrophobicContact CD1-CG1 4.25Å; I1105-M1129 HydrophobicContact CD1-CE 3.61Å; I1105-M1129 HydrophobicContact CG1-CE 3.71Å; I1105-M1129 HydrophobicContact CG2-CE 4.02Å; I1105-M1129 HydrophobicContact CG2-SD 4.24Å
1106S93.2Very high91.7Very high23 Ų2356.2 Ų56.216%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-100.3153.4174.441.50000110.6V1115S1106-V1115 PolarHBondContact N-O 3.07Å; S1106-V1115 PolarHBondContact O-N 3.05Å
1107Q91.6Very high91.4Very high94 Ų9456.6 Ų56.644%0.43932%0.321SS..EExtended strand (participates in β ladder)trans-83.8132.8163.4-16517116.200108.6G1112 G1113Q1107-G1112 WeakPolarHBondContact CG-O 3.31Å; Q1107-G1112 PolarHBondContact NE2-O 2.85Å; Q1107-G1113 CarbonylContact C-O 3.56Å; Q1107-G1113 WeakPolarHBondContact CA-O 3.24Å
1108D89.9Confident90.7Very high32 Ų3257.3 Ų57.317%0.17132%0.324CS..PPolyproline II helixtrans-75.5123.3172.4168.225.7000109.6E1110 T1111 G1112 G1113 V1115D1108-E1110 VanDerWaalsContact C-N 3.29Å; D1108-E1110 PolarHBondContact O-N 2.89Å; D1108-E1110 PolarHBondContact OD1-N 3.44Å; D1108-T1111 VanDerWaalsContact OD2-CB 3.26Å; D1108-T1111 WeakPolarHBondContact OD2-CB 3.37Å; D1108-T1111 VanDerWaalsContact OD2-CG2 3.29Å; D1108-T1111 WeakPolarHBondContact OD2-CG2 3.44Å; D1108-T1111 PolarHBondContact OD2-N 3.31Å; D1108-T1111 PolarHBondContact OD2-OG1 3.17Å; D1108-G1112 WeakPolarHBondContact O-CA 3.2Å; D1108-G1112 PolarHBondContact O-N 3.28Å; D1108-G1113 PolarHBondContact N-O 3.29Å; D1108-V1115 HydrophobicContact CB-CG2 3.74Å
1109P87.7Confident90.1Very high128 Ų12858.4 Ų58.483%0.83131%0.312SS*.THydrogen-bonded Turntrans-69.3-22.7178.229.8-36.3000113.7
1110E87.2Confident89.8Confident157 Ų15756.5 Ų56.573%0.73430%0.303SS*.THydrogen-bonded Turntrans-78.1-49.6179.7-67.7-178-169.100111.7D1108D1108-E1110 VanDerWaalsContact C-N 3.29Å; D1108-E1110 PolarHBondContact O-N 2.89Å; D1108-E1110 PolarHBondContact OD1-N 3.44Å
1111T88.6Confident89.6Confident83 Ų8360.4 Ų60.451%0.50932%0.32SS..THydrogen-bonded Turntrans-99.4-11.2-176.767.60000115D1108 G1113 P1122D1108-T1111 VanDerWaalsContact OD2-CB 3.26Å; D1108-T1111 WeakPolarHBondContact OD2-CB 3.37Å; D1108-T1111 VanDerWaalsContact OD2-CG2 3.29Å; D1108-T1111 WeakPolarHBondContact OD2-CG2 3.44Å; D1108-T1111 PolarHBondContact OD2-N 3.31Å; D1108-T1111 PolarHBondContact OD2-OG1 3.17Å; T1111-G1113 PolarHBondContact O-N 2.98Å; T1111-G1113 PolarHBondContact OG1-N 2.81Å; T1111-P1122 HydrophobicContact CG2-CG 4.29Å; T1111-P1122 WeakPolarHBondContact OG1-CB 3.26Å
1112G88.6Confident89.5Confident36 Ų3662 Ų6237%0.37133%0.332SS..  trans68.80.6-170.400000114.6Q1107 D1108Q1107-G1112 WeakPolarHBondContact CG-O 3.31Å; Q1107-G1112 PolarHBondContact NE2-O 2.85Å; D1108-G1112 WeakPolarHBondContact O-CA 3.2Å; D1108-G1112 PolarHBondContact O-N 3.28Å
1113G90.6Very high89.5Confident6 Ų660.8 Ų60.86%0.06233%0.326CS..  trans-81.2169.4-179.500000113.9Q1107 D1108 T1111 Y1123Q1107-G1113 CarbonylContact C-O 3.56Å; Q1107-G1113 WeakPolarHBondContact CA-O 3.24Å; D1108-G1113 PolarHBondContact N-O 3.29Å; T1111-G1113 PolarHBondContact O-N 2.98Å; T1111-G1113 PolarHBondContact OG1-N 2.81Å; G1113-Y1123 CarbonylContact C-O 3.53Å; G1113-Y1123 VanDerWaalsContact CA-O 3.31Å; G1113-Y1123 WeakPolarHBondContact CA-O 3.44Å
1114Y93.2Very high89.4Confident30 Ų3064.8 Ų64.812%0.11835%0.354CS..EExtended strand (participates in β ladder)trans-92.7133.4178.1-58.4-90000111.1I1047 I1105 P1122 Y1123 V1126I1047-Y1114 WeakPolarHBondContact CD1-OH 3.41Å; I1047-Y1114 VanDerWaalsContact CG1-OH 3.26Å; I1047-Y1114 WeakPolarHBondContact CG1-OH 3.46Å; I1047-Y1114 HydrophobicContact CG2-CE1 4.3Å; I1047-Y1114 WeakPolarHBondContact CG2-OH 3.42Å; I1105-Y1114 HydrophobicContact CG2-CD1 4.2Å; Y1114-P1122 CarbonylContact O-C 3.55Å; Y1114-P1122 WeakPolarHBondContact O-CA 3.35Å; Y1114-Y1123 PolarHBondContact N-O 2.99Å; Y1114-Y1123 PolarHBondContact O-N 3.19Å; Y1114-V1126 HydrophobicContact CD1-CG2 3.56Å; Y1114-V1126 HydrophobicContact CD2-CG2 4.28Å; Y1114-V1126 HydrophobicContact CE1-CG2 3.73Å; Y1114-V1126 HydrophobicContact CE2-CG2 4.46Å; Y1114-V1126 HydrophobicContact CG-CG2 3.85Å
1115V92.8Very high89.4Confident19 Ų1960.8 Ų60.812%0.11534%0.338CS..EExtended strand (participates in β ladder)trans-121.9134.7-179.6-166.80000109.5I1105 S1106 D1108 G1117 S1120 P1122I1105-V1115 WeakPolarHBondContact CA-O 3.2Å; S1106-V1115 PolarHBondContact N-O 3.07Å; S1106-V1115 PolarHBondContact O-N 3.05Å; D1108-V1115 HydrophobicContact CB-CG2 3.74Å; V1115-G1117 VanDerWaalsContact CG1-O 3.23Å; V1115-G1117 WeakPolarHBondContact CG1-O 3.27Å; V1115-S1120 WeakPolarHBondContact CA-OG 3.32Å; V1115-S1120 VanDerWaalsContact CG1-OG 3.23Å; V1115-S1120 WeakPolarHBondContact CG1-OG 3.48Å; V1115-P1122 HydrophobicContact CG2-CB 4.19Å
1116L92.1Very high89.4Confident12 Ų1260.7 Ų60.76%0.06334%0.338CS..EExtended strand (participates in β ladder)trans-96.797.7177.8-170.765.9000109.7L1092 M1103 I1105 S1120 M1129 Y1133 L1138L1092-L1116 HydrophobicContact CB-CD1 4.23Å; L1092-L1116 HydrophobicContact CD2-CD1 3.99Å; L1092-L1116 HydrophobicContact CD2-CD2 4.17Å; M1103-L1116 HydrophobicContact CB-CD1 3.7Å; M1103-L1116 HydrophobicContact CB-CG 4.32Å; M1103-L1116 HydrophobicContact CE-CD1 4.44Å; M1103-L1116 HydrophobicContact CE-CD2 4.04Å; M1103-L1116 HydrophobicContact CE-CG 4.48Å; M1103-L1116 HydrophobicContact SD-CD1 4.29Å; M1103-L1116 HydrophobicContact SD-CD2 4.01Å; M1103-L1116 HydrophobicContact SD-CG 4.01Å; I1105-L1116 HydrophobicContact CG1-CD1 3.77Å; L1116-S1120 PolarHBondContact N-OG 3.07Å; L1116-M1129 HydrophobicContact CB-SD 3.83Å; L1116-M1129 HydrophobicContact CD1-CE 4.39Å; L1116-M1129 HydrophobicContact CD1-SD 4.37Å; L1116-Y1133 HydrophobicContact CB-CE2 4.41Å; L1116-Y1133 HydrophobicContact CD2-CD2 3.8Å; L1116-Y1133 HydrophobicContact CD2-CE2 3.51Å; L1116-L1138 HydrophobicContact CD2-CD2 3.62Å
1117G86.4Confident89.4Confident32 Ų3260.9 Ų60.933%0.3334%0.34SS..THydrogen-bonded Turntrans65.4-163-171.400000113.7K1104 V1115 Y1119K1104-G1117 PolarHBondContact O-N 2.97Å; V1115-G1117 VanDerWaalsContact CG1-O 3.23Å; V1115-G1117 WeakPolarHBondContact CG1-O 3.27Å; G1117-Y1119 VanDerWaalsContact C-N 3.34Å; G1117-Y1119 PolarHBondContact O-N 3.17Å
1118E77.1Confident89.5Confident156 Ų15658.6 Ų58.673%0.72933%0.334SS*.THydrogen-bonded Turntrans-76.5-11.7-173.1-64.3174.2-175.200115.4
1119Y76.5Confident89.7Confident136 Ų13657 Ų5753%0.53333%0.326SS..SBendtrans-130.85.3-162.5-60.1-71.1000115.6G1117G1117-Y1119 VanDerWaalsContact C-N 3.34Å; G1117-Y1119 PolarHBondContact O-N 3.17Å
1120S86.6Confident90Very high23 Ų2351.4 Ų51.416%0.16129%0.288CS..SBendtrans-80.7160.5171.489.20000111.5V1115 L1116V1115-S1120 WeakPolarHBondContact CA-OG 3.32Å; V1115-S1120 VanDerWaalsContact CG1-OG 3.23Å; V1115-S1120 WeakPolarHBondContact CG1-OG 3.48Å; L1116-S1120 PolarHBondContact N-OG 3.07Å
1121Q90Very high90.4Very high104 Ų10450.4 Ų50.449%0.48628%0.279SS..PPolyproline II helixtrans-63.8154.4157.257.2177.173.600110.1Y1123Q1121-Y1123 HydrophobicContact CG-CD2 4.43Å; Q1121-Y1123 HydrophobicContact CG-CE1 4.07Å; Q1121-Y1123 HydrophobicContact CG-CE2 3.79Å; Q1121-Y1123 VanDerWaalsContact O-CD2 3.28Å; Q1121-Y1123 WeakPolarHBondContact O-CD2 3.35Å; Q1121-Y1123 VanDerWaalsContact O-CE2 3.28Å; Q1121-Y1123 WeakPolarHBondContact O-CE2 3.5Å
1122P92.7Very high90.6Very high56 Ų5652 Ų5236%0.36428%0.275SS..PPolyproline II helixtrans-67.5147.8164.428.4-33000111T1111 Y1114 V1115T1111-P1122 HydrophobicContact CG2-CG 4.29Å; T1111-P1122 WeakPolarHBondContact OG1-CB 3.26Å; Y1114-P1122 CarbonylContact O-C 3.55Å; Y1114-P1122 WeakPolarHBondContact O-CA 3.35Å; V1115-P1122 HydrophobicContact CG2-CB 4.19Å
1123Y93.4Very high90.9Very high16 Ų1651 Ų516%0.06326%0.261CS..BIsolated β-bridgetrans-122.4145176.1-65.2-88.8000110.4G1113 Y1114 Q1121 S1125 M1129 R1132 Y1133G1113-Y1123 CarbonylContact C-O 3.53Å; G1113-Y1123 VanDerWaalsContact CA-O 3.31Å; G1113-Y1123 WeakPolarHBondContact CA-O 3.44Å; Y1114-Y1123 PolarHBondContact N-O 2.99Å; Y1114-Y1123 PolarHBondContact O-N 3.19Å; Q1121-Y1123 HydrophobicContact CG-CD2 4.43Å; Q1121-Y1123 HydrophobicContact CG-CE1 4.07Å; Q1121-Y1123 HydrophobicContact CG-CE2 3.79Å; Q1121-Y1123 VanDerWaalsContact O-CD2 3.28Å; Q1121-Y1123 WeakPolarHBondContact O-CD2 3.35Å; Q1121-Y1123 VanDerWaalsContact O-CE2 3.28Å; Q1121-Y1123 WeakPolarHBondContact O-CE2 3.5Å; Y1123-S1125 PolarHBondContact O-N 3.23Å; Y1123-M1129 HydrophobicContact CD1-CB 4.16Å; Y1123-M1129 HydrophobicContact CD2-CB 3.67Å; Y1123-M1129 HydrophobicContact CD2-CG 3.62Å; Y1123-M1129 HydrophobicContact CD2-SD 4.3Å; Y1123-M1129 HydrophobicContact CE2-CB 4.19Å; Y1123-M1129 HydrophobicContact CE2-CG 3.78Å; Y1123-M1129 HydrophobicContact CG-CB 3.65Å; Y1123-M1129 HydrophobicContact CG-CG 4.15Å; Y1123-R1132 HydrophobicContact CE1-CB 3.9Å; Y1123-R1132 HydrophobicContact CE1-CG 4.04Å; Y1123-Y1133 HydrophobicContact CE2-CE2 4.04Å; Y1123-Y1133 PolarHBondContact OH-OH 3.49Å
1124P92Very high91Very high113 Ų11353 Ų5373%0.73427%0.273SS*.SBendtrans-69.8-19.6-178.428.5-35.8000113.6
1125S92.7Very high91Very high17 Ų1759.5 Ų59.512%0.11930%0.298CS..  trans-150.7156.5171.276.60000111.4Y1123 S1127 S1128 M1129Y1123-S1125 PolarHBondContact O-N 3.23Å; S1125-S1127 PolarHBondContact O-N 2.99Å; S1125-S1127 PolarHBondContact OG-N 2.98Å; S1125-S1128 WeakPolarHBondContact O-CB 3.18Å; S1125-S1128 PolarHBondContact O-N 3.34Å; S1125-S1128 PolarHBondContact OG-N 3.07Å; S1125-S1128 PolarHBondContact OG-OG 2.95Å; S1125-M1129 PolarHBondContact O-N 3.15Å; S1125-M1129 VanDerWaalsContact O-N 3.11Å
1126V93.9Very high90.9Very high1 Ų160.9 Ų60.91%0.00631%0.306CS..Hα-helixtrans-56.8-40.3170.5-173.60000110.5L1051 W1056 V1080 L1090 I1105 Y1114 S1128 M1129 I1130L1051-V1126 HydrophobicContact CD1-CG2 4.15Å; L1051-V1126 HydrophobicContact CD2-CB 3.73Å; L1051-V1126 HydrophobicContact CD2-CG1 4.43Å; L1051-V1126 HydrophobicContact CD2-CG2 3.96Å; W1056-V1126 HydrophobicContact CH2-CB 4.44Å; W1056-V1126 HydrophobicContact CH2-CG1 3.97Å; W1056-V1126 HydrophobicContact CZ3-CG1 4.02Å; V1080-V1126 HydrophobicContact CG1-CG1 4.45Å; V1080-V1126 HydrophobicContact CG2-CG1 4.45Å; L1090-V1126 HydrophobicContact CD1-CG2 4.01Å; I1105-V1126 HydrophobicContact CD1-CG1 4.25Å; Y1114-V1126 HydrophobicContact CD1-CG2 3.56Å; Y1114-V1126 HydrophobicContact CD2-CG2 4.28Å; Y1114-V1126 HydrophobicContact CE1-CG2 3.73Å; Y1114-V1126 HydrophobicContact CE2-CG2 4.46Å; Y1114-V1126 HydrophobicContact CG-CG2 3.85Å; V1126-S1128 VanDerWaalsContact C-N 3.34Å; V1126-S1128 PolarHBondContact O-N 3.04Å; V1126-M1129 HydrophobicContact CG1-CE 3.82Å; V1126-M1129 WeakPolarHBondContact O-CB 3.19Å; V1126-M1129 PolarHBondContact O-N 3.06Å; V1126-M1129 VanDerWaalsContact O-N 3.14Å; V1126-I1130 HydrophobicContact CG1-CG1 4.26Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.4Å; V1126-I1130 PolarHBondContact O-N 2.97Å
1127S94.5Very high90.9Very high28 Ų2864.7 Ų64.720%0.19633%0.326CS..Hα-helixtrans-61.5-39.9177.5-52.20000112.3S1125 M1129 I1130 Y1131S1125-S1127 PolarHBondContact O-N 2.99Å; S1125-S1127 PolarHBondContact OG-N 2.98Å; S1127-M1129 VanDerWaalsContact C-N 3.34Å; S1127-I1130 PolarHBondContact O-N 2.84Å; S1127-Y1131 VanDerWaalsContact O-CB 3.22Å; S1127-Y1131 WeakPolarHBondContact O-CB 3.31Å; S1127-Y1131 PolarHBondContact O-N 3.07Å
1128S93.2Very high91Very high45 Ų4563.3 Ų63.332%0.31531%0.311SS..Hα-helixtrans-64.9-36.8174.3-530000112.5S1125 V1126 R1132S1125-S1128 WeakPolarHBondContact O-CB 3.18Å; S1125-S1128 PolarHBondContact O-N 3.34Å; S1125-S1128 PolarHBondContact OG-N 3.07Å; S1125-S1128 PolarHBondContact OG-OG 2.95Å; V1126-S1128 VanDerWaalsContact C-N 3.34Å; V1126-S1128 PolarHBondContact O-N 3.04Å; S1128-R1132 PolarHBondContact O-N 3.47Å; S1128-R1132 VanDerWaalsContact O-N 3.12Å
1129M94.2Very high91.1Very high0 Ų060.9 Ų60.90%031%0.309CS..Hα-helixtrans-67.9-48.1175.6177.9-170.77700111.6I1105 L1116 Y1123 S1125 V1126 S1127 Y1131 R1132 Y1133I1105-M1129 HydrophobicContact CD1-CE 3.61Å; I1105-M1129 HydrophobicContact CG1-CE 3.71Å; I1105-M1129 HydrophobicContact CG2-CE 4.02Å; I1105-M1129 HydrophobicContact CG2-SD 4.24Å; L1116-M1129 HydrophobicContact CB-SD 3.83Å; L1116-M1129 HydrophobicContact CD1-CE 4.39Å; L1116-M1129 HydrophobicContact CD1-SD 4.37Å; Y1123-M1129 HydrophobicContact CD1-CB 4.16Å; Y1123-M1129 HydrophobicContact CD2-CB 3.67Å; Y1123-M1129 HydrophobicContact CD2-CG 3.62Å; Y1123-M1129 HydrophobicContact CD2-SD 4.3Å; Y1123-M1129 HydrophobicContact CE2-CB 4.19Å; Y1123-M1129 HydrophobicContact CE2-CG 3.78Å; Y1123-M1129 HydrophobicContact CG-CB 3.65Å; Y1123-M1129 HydrophobicContact CG-CG 4.15Å; S1125-M1129 PolarHBondContact O-N 3.15Å; S1125-M1129 VanDerWaalsContact O-N 3.11Å; V1126-M1129 HydrophobicContact CG1-CE 3.82Å; V1126-M1129 WeakPolarHBondContact O-CB 3.19Å; V1126-M1129 PolarHBondContact O-N 3.06Å; V1126-M1129 VanDerWaalsContact O-N 3.14Å; S1127-M1129 VanDerWaalsContact C-N 3.34Å; M1129-Y1131 PolarHBondContact O-N 3.33Å; M1129-R1132 WeakPolarHBondContact O-CB 3.44Å; M1129-R1132 PolarHBondContact O-N 2.79Å; M1129-R1132 VanDerWaalsContact O-N 3.09Å; M1129-Y1133 HydrophobicContact CG-CD2 3.95Å; M1129-Y1133 HydrophobicContact CG-CE2 3.83Å; M1129-Y1133 VanDerWaalsContact O-CD2 3.23Å; M1129-Y1133 WeakPolarHBondContact O-CD2 3.48Å; M1129-Y1133 PolarHBondContact O-N 3.07Å; M1129-Y1133 VanDerWaalsContact O-N 3.12Å
1130I94.9Very high91.3Very high9 Ų956.2 Ų56.25%0.04630%0.295CS..Hα-helixtrans-59.8-45.6175.7-65.5-64000110.7W1056 F1078 V1080 L1092 V1126 S1127 R1132 Y1133 S1134 L1148W1056-I1130 HydrophobicContact CH2-CG1 4.13Å; W1056-I1130 HydrophobicContact CZ2-CG1 4.44Å; W1056-I1130 HydrophobicContact CZ3-CG1 4.2Å; F1078-I1130 HydrophobicContact CD2-CD1 4.42Å; F1078-I1130 HydrophobicContact CE2-CD1 4.23Å; F1078-I1130 HydrophobicContact CE2-CG2 3.56Å; F1078-I1130 HydrophobicContact CZ-CG2 3.71Å; V1080-I1130 HydrophobicContact CG2-CD1 3.81Å; V1080-I1130 HydrophobicContact CG2-CG1 4.31Å; L1092-I1130 HydrophobicContact CD1-CD1 3.86Å; L1092-I1130 HydrophobicContact CD2-CD1 4.04Å; V1126-I1130 HydrophobicContact CG1-CG1 4.26Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.4Å; V1126-I1130 PolarHBondContact O-N 2.97Å; S1127-I1130 PolarHBondContact O-N 2.84Å; I1130-R1132 PolarHBondContact O-N 3.32Å; I1130-Y1133 PolarHBondContact O-N 2.93Å; I1130-Y1133 VanDerWaalsContact O-N 3.13Å; I1130-S1134 PolarHBondContact O-N 3.41Å; I1130-L1148 HydrophobicContact CD1-CD1 3.67Å; I1130-L1148 HydrophobicContact CG2-CD1 4.25Å
1131Y94Very high90.9Very high137 Ų13764.4 Ų64.454%0.53732%0.322SS..Hα-helixtrans-60.2-27.8174.8176.6-91.5000113.6S1127 M1129 S1134 R1135S1127-Y1131 VanDerWaalsContact O-CB 3.22Å; S1127-Y1131 WeakPolarHBondContact O-CB 3.31Å; S1127-Y1131 PolarHBondContact O-N 3.07Å; M1129-Y1131 PolarHBondContact O-N 3.33Å; Y1131-S1134 PolarHBondContact O-OG 2.98Å; Y1131-S1134 VanDerWaalsContact O-OG 3.13Å; Y1131-R1135 VanDerWaalsContact CE2-NH2 3.3Å; Y1131-R1135 VanDerWaalsContact CZ-CZ 3.45Å; Y1131-R1135 VanDerWaalsContact CZ-NH2 3.33Å; Y1131-R1135 VanDerWaalsContact OH-CZ 3.29Å; Y1131-R1135 PolarHBondContact OH-NH2 2.93Å; Y1131-R1135 VanDerWaalsContact OH-NH2 3.09Å
1132R93.5Very high90.1Very high115 Ų11563.7 Ų63.743%0.43434%0.343SS..Hα-helixtrans-75.3-41.7173.6-177.458-174.8-101-1.8111.8Y1123 S1128 M1129 I1130 R1135 T1136Y1123-R1132 HydrophobicContact CE1-CB 3.9Å; Y1123-R1132 HydrophobicContact CE1-CG 4.04Å; S1128-R1132 PolarHBondContact O-N 3.47Å; S1128-R1132 VanDerWaalsContact O-N 3.12Å; M1129-R1132 WeakPolarHBondContact O-CB 3.44Å; M1129-R1132 PolarHBondContact O-N 2.79Å; M1129-R1132 VanDerWaalsContact O-N 3.09Å; I1130-R1132 PolarHBondContact O-N 3.32Å; R1132-R1135 PolarHBondContact O-N 3.15Å; R1132-T1136 WeakPolarHBondContact CD-OG1 3.4Å; R1132-T1136 PolarHBondContact NE-OG1 3.08Å; R1132-T1136 VanDerWaalsContact O-CB 3.27Å; R1132-T1136 WeakPolarHBondContact O-CB 3.27Å; R1132-T1136 PolarHBondContact O-N 3.15Å; R1132-T1136 PolarHBondContact O-OG1 3.31Å
1133Y93.8Very high89.3Confident16 Ų1663.7 Ų63.76%0.06334%0.342CS..Hα-helixtrans-86.6-5.9-176.4-65.9-61.5000115L1116 Y1123 M1129 I1130 R1135 T1136 L1138 L1148L1116-Y1133 HydrophobicContact CB-CE2 4.41Å; L1116-Y1133 HydrophobicContact CD2-CD2 3.8Å; L1116-Y1133 HydrophobicContact CD2-CE2 3.51Å; Y1123-Y1133 HydrophobicContact CE2-CE2 4.04Å; Y1123-Y1133 PolarHBondContact OH-OH 3.49Å; M1129-Y1133 HydrophobicContact CG-CD2 3.95Å; M1129-Y1133 HydrophobicContact CG-CE2 3.83Å; M1129-Y1133 VanDerWaalsContact O-CD2 3.23Å; M1129-Y1133 WeakPolarHBondContact O-CD2 3.48Å; M1129-Y1133 PolarHBondContact O-N 3.07Å; M1129-Y1133 VanDerWaalsContact O-N 3.12Å; I1130-Y1133 PolarHBondContact O-N 2.93Å; I1130-Y1133 VanDerWaalsContact O-N 3.13Å; Y1133-R1135 VanDerWaalsContact C-N 3.28Å; Y1133-T1136 CarbonylContact C-O 3.59Å; Y1133-T1136 WeakPolarHBondContact CA-O 3.34Å; Y1133-L1138 HydrophobicContact CD1-CD2 3.44Å; Y1133-L1138 VanDerWaalsContact CD1-CD2 3.44Å; Y1133-L1138 HydrophobicContact CD1-CG 4.05Å; Y1133-L1138 HydrophobicContact CD2-CD2 3.96Å; Y1133-L1138 HydrophobicContact CE1-CD2 3.85Å; Y1133-L1138 HydrophobicContact CE2-CD2 4.32Å; Y1133-L1138 HydrophobicContact CG-CD2 3.5Å; Y1133-L1138 HydrophobicContact CG-CG 4.22Å; Y1133-L1148 PolarHBondContact O-N 3.17Å
1134S94Very high88.8Confident47 Ų4766.6 Ų66.633%0.32936%0.361SS..THydrogen-bonded Turntrans-74.9-20.5160.962.30000113I1130 Y1131 L1148I1130-S1134 PolarHBondContact O-N 3.41Å; Y1131-S1134 PolarHBondContact O-OG 2.98Å; Y1131-S1134 VanDerWaalsContact O-OG 3.13Å; S1134-L1148 VanDerWaalsContact CA-O 3.24Å; S1134-L1148 WeakPolarHBondContact CA-O 3.4Å; S1134-L1148 WeakPolarHBondContact CB-O 3.18Å
1135R93Very high88.5Confident168 Ų16864.7 Ų64.763%0.63435%0.349SS*.THydrogen-bonded Turntrans-106.8-23179.1-58176.8-176.6-131.6-9.5113.8Y1131 R1132 Y1133Y1131-R1135 VanDerWaalsContact CE2-NH2 3.3Å; Y1131-R1135 VanDerWaalsContact CZ-CZ 3.45Å; Y1131-R1135 VanDerWaalsContact CZ-NH2 3.33Å; Y1131-R1135 VanDerWaalsContact OH-CZ 3.29Å; Y1131-R1135 PolarHBondContact OH-NH2 2.93Å; Y1131-R1135 VanDerWaalsContact OH-NH2 3.09Å; R1132-R1135 PolarHBondContact O-N 3.15Å; Y1133-R1135 VanDerWaalsContact C-N 3.28Å
1136T91.5Very high88.5Confident48 Ų4864.4 Ų64.429%0.29435%0.347SS..SBendtrans-120.2128.2-175.2-40.60000109.1R1132 Y1133 L1138 L1147R1132-T1136 WeakPolarHBondContact CD-OG1 3.4Å; R1132-T1136 PolarHBondContact NE-OG1 3.08Å; R1132-T1136 VanDerWaalsContact O-CB 3.27Å; R1132-T1136 WeakPolarHBondContact O-CB 3.27Å; R1132-T1136 PolarHBondContact O-N 3.15Å; R1132-T1136 PolarHBondContact O-OG1 3.31Å; Y1133-T1136 CarbonylContact C-O 3.59Å; Y1133-T1136 WeakPolarHBondContact CA-O 3.34Å; T1136-L1138 PolarHBondContact O-N 3.34Å; T1136-L1147 VanDerWaalsContact C-CD2 3.43Å
1137L90.7Very high88.4Confident92 Ų9266.5 Ų66.548%0.48236%0.357SS..  trans-54.1134.9173.1-76.9165.6000111P1145 L1147L1137-P1145 HydrophobicContact CB-CB 4.19Å; L1137-P1145 HydrophobicContact CD1-CB 4.48Å; L1137-P1145 HydrophobicContact CD1-CG 4.35Å; L1137-P1145 HydrophobicContact CD2-CB 4.01Å; L1137-P1145 HydrophobicContact CD2-CG 4.26Å; L1137-P1145 WeakPolarHBondContact CD2-O 3.3Å; L1137-P1145 HydrophobicContact CG-CB 4.46Å; L1137-L1147 HydrophobicContact CD2-CD2 4.39Å; L1137-L1147 HydrophobicContact CD2-CG 3.84Å; L1137-L1147 HydrophobicContact CG-CD2 4.34Å; L1137-L1147 HydrophobicContact CG-CG 4.28Å
1138L88.7Confident88.5Confident2 Ų265.3 Ų65.31%0.0135%0.349CS..  trans-68.4126176.5-78.8162.7000110.8I1094 M1103 L1116 Y1133 T1136 V1140 V1146 L1148I1094-L1138 HydrophobicContact CD1-CD1 3.47Å; I1094-L1138 VanDerWaalsContact CD1-CD1 3.47Å; M1103-L1138 HydrophobicContact CE-CD1 3.69Å; M1103-L1138 HydrophobicContact CE-CD2 3.83Å; M1103-L1138 HydrophobicContact CE-CG 4.32Å; M1103-L1138 HydrophobicContact SD-CD2 4.45Å; L1116-L1138 HydrophobicContact CD2-CD2 3.62Å; Y1133-L1138 HydrophobicContact CD1-CD2 3.44Å; Y1133-L1138 VanDerWaalsContact CD1-CD2 3.44Å; Y1133-L1138 HydrophobicContact CD1-CG 4.05Å; Y1133-L1138 HydrophobicContact CD2-CD2 3.96Å; Y1133-L1138 HydrophobicContact CE1-CD2 3.85Å; Y1133-L1138 HydrophobicContact CE2-CD2 4.32Å; Y1133-L1138 HydrophobicContact CG-CD2 3.5Å; Y1133-L1138 HydrophobicContact CG-CG 4.22Å; T1136-L1138 PolarHBondContact O-N 3.34Å; L1138-V1140 HydrophobicContact CB-CG2 3.99Å; L1138-V1140 PolarHBondContact O-N 3.24Å; L1138-V1146 WeakPolarHBondContact CB-O 3.38Å; L1138-V1146 PolarHBondContact N-O 3.3Å; L1138-L1148 HydrophobicContact CD1-CD2 3.84Å; L1138-L1148 HydrophobicContact CD1-CG 4.26Å
1139P78.9Confident88.5Confident106 Ų10671.1 Ų71.169%0.68836%0.364SS*.  trans-81.256.3-175.334.7-37.2000112.3
1140V82.2Confident88.5Confident38 Ų3875.2 Ų75.223%0.2338%0.382CS..  trans-78.1124.7178-1670000109.1L1101 L1138 T1143L1101-V1140 HydrophobicContact CD2-CG1 4.23Å; L1101-V1140 HydrophobicContact CD2-CG2 3.65Å; L1138-V1140 HydrophobicContact CB-CG2 3.99Å; L1138-V1140 PolarHBondContact O-N 3.24Å; V1140-T1143 WeakPolarHBondContact CG1-OG1 3.29Å
1141R76.3Confident88.5Confident194 Ų19478.1 Ų78.173%0.73240%0.401SS*.THydrogen-bonded Turntrans-75.8138.7179.8-65.4-173.8-175.8164.27.6111T1143R1141-T1143 VanDerWaalsContact C-N 3.33Å; R1141-T1143 PolarHBondContact O-N 3.46Å
1142G74.4Confident88.6Confident89 Ų8973.2 Ų73.292%0.91838%0.384SS*.THydrogen-bonded Turntrans786.3170.600000116
1143T76Confident88.5Confident56 Ų5670.2 Ų70.234%0.34438%0.38SS..SBendtrans-137.4165.4179.963.40000111.5R1096 V1140 R1141R1096-T1143 PolarHBondContact NH1-OG1 3.21Å; V1140-T1143 WeakPolarHBondContact CG1-OG1 3.29Å; R1141-T1143 VanDerWaalsContact C-N 3.33Å; R1141-T1143 PolarHBondContact O-N 3.46Å
1144T82.9Confident88.3Confident77 Ų7774.9 Ų74.947%0.47240%0.398SS..  trans-55132.4171.243.30000110.8
1145P86.1Confident87.3Confident74 Ų7477.8 Ų77.848%0.48141%0.409SS..  trans-78.5139.9-179.832.6-35.1000110.1L1137L1137-P1145 HydrophobicContact CB-CB 4.19Å; L1137-P1145 HydrophobicContact CD1-CB 4.48Å; L1137-P1145 HydrophobicContact CD1-CG 4.35Å; L1137-P1145 HydrophobicContact CD2-CB 4.01Å; L1137-P1145 HydrophobicContact CD2-CG 4.26Å; L1137-P1145 WeakPolarHBondContact CD2-O 3.3Å; L1137-P1145 HydrophobicContact CG-CB 4.46Å
1146V90.7Very high85.3Confident11 Ų1174.1 Ų74.17%0.06741%0.414CS..  trans-124.3143.8-170.4178.20000111.4I1094 R1096 L1138I1094-V1146 HydrophobicContact CG2-CG1 3.98Å; R1096-V1146 HydrophobicContact CG-CG2 4.09Å; L1138-V1146 WeakPolarHBondContact CB-O 3.38Å; L1138-V1146 PolarHBondContact N-O 3.3Å
1147L93.4Very high82.6Confident45 Ų4580.2 Ų80.224%0.23644%0.437CS..  trans-97.2142.3169.8-74.3167.3000110.3G1076 T1136 L1137 R1149G1076-L1147 VanDerWaalsContact CA-O 3.27Å; G1076-L1147 WeakPolarHBondContact CA-O 3.35Å; T1136-L1147 VanDerWaalsContact C-CD2 3.43Å; L1137-L1147 HydrophobicContact CD2-CD2 4.39Å; L1137-L1147 HydrophobicContact CD2-CG 3.84Å; L1137-L1147 HydrophobicContact CG-CD2 4.34Å; L1137-L1147 HydrophobicContact CG-CG 4.28Å; L1147-R1149 HydrophobicContact CB-CG 4.1Å; L1147-R1149 PolarHBondContact O-N 3.03Å
1148L95.3Very high79.8Confident2 Ų281 Ų811%0.0145%0.45CS..  trans-76.686.7171.5-58.4-174.6000110.1F1078 L1092 I1094 I1130 Y1133 S1134 L1138F1078-L1148 HydrophobicContact CB-CD2 3.88Å; F1078-L1148 HydrophobicContact CD1-CB 3.71Å; F1078-L1148 HydrophobicContact CD1-CD2 4.16Å; F1078-L1148 HydrophobicContact CD1-CG 4.44Å; F1078-L1148 HydrophobicContact CD2-CD1 4.46Å; F1078-L1148 HydrophobicContact CD2-CD2 4.47Å; F1078-L1148 HydrophobicContact CE1-CB 3.72Å; F1078-L1148 HydrophobicContact CG-CB 4.19Å; F1078-L1148 HydrophobicContact CG-CD2 3.91Å; F1078-L1148 HydrophobicContact CG-CG 4.47Å; F1078-L1148 HydrophobicContact CZ-CB 4.23Å; L1092-L1148 HydrophobicContact CD1-CD1 4.49Å; L1092-L1148 HydrophobicContact CD1-CD2 4.38Å; L1092-L1148 HydrophobicContact CD2-CD1 4.05Å; L1092-L1148 HydrophobicContact CD2-CD2 4.36Å; I1094-L1148 HydrophobicContact CD1-CD2 3.7Å; I1094-L1148 HydrophobicContact CG1-CD2 3.69Å; I1094-L1148 HydrophobicContact CG2-CD2 4.36Å; I1130-L1148 HydrophobicContact CD1-CD1 3.67Å; I1130-L1148 HydrophobicContact CG2-CD1 4.25Å; Y1133-L1148 PolarHBondContact O-N 3.17Å; S1134-L1148 VanDerWaalsContact CA-O 3.24Å; S1134-L1148 WeakPolarHBondContact CA-O 3.4Å; S1134-L1148 WeakPolarHBondContact CB-O 3.18Å; L1138-L1148 HydrophobicContact CD1-CD2 3.84Å; L1138-L1148 HydrophobicContact CD1-CG 4.26Å
1149R93.3Very high76.9Confident168 Ų16893.4 Ų93.463%0.63451%0.508SS*.  trans-91.1-48.4-174.4-77.5-175.7164.2-169.4-5.5113.7G1076 L1147 P1151G1076-R1149 PolarHBondContact O-N 2.96Å; L1147-R1149 HydrophobicContact CB-CG 4.1Å; L1147-R1149 PolarHBondContact O-N 3.03Å; R1149-P1151 WeakPolarHBondContact O-CD 3.5Å
1150F95Very high76.8Confident85 Ų8592.8 Ų92.837%0.37350%0.499SS..EExtended strand (participates in β ladder)trans-118.699.7-166.6-48-73.4000111.3P1074 G1076 S1077 F1078 I1152P1074-F1150 HydrophobicContact CB-CD2 4.28Å; P1074-F1150 HydrophobicContact CB-CE2 4.05Å; P1074-F1150 HydrophobicContact CG-CD2 3.7Å; P1074-F1150 HydrophobicContact CG-CE2 3.83Å; P1074-F1150 HydrophobicContact CG-CG 4.26Å; P1074-F1150 HydrophobicContact CG-CZ 4.48Å; G1076-F1150 PolarHBondContact O-N 3.25Å; G1076-F1150 VanDerWaalsContact O-N 3.12Å; S1077-F1150 CarbonylContact C-O 3.44Å; S1077-F1150 VanDerWaalsContact CA-O 3.24Å; S1077-F1150 WeakPolarHBondContact CA-O 3.46Å; F1078-F1150 WeakPolarHBondContact CD1-O 3.27Å; F1078-F1150 PolarHBondContact N-O 3.26Å; F1150-I1152 PolarHBondContact O-N 3.44Å
1151P95.6Very high76.6Confident70 Ų7095.7 Ų95.746%0.45551%0.513SS..EExtended strand (participates in β ladder)trans-68.4121.5176.225.7-31.6000110.6W1056 F1078 R1149 S1153W1056-P1151 HydrophobicContact CB-CB 3.84Å; W1056-P1151 HydrophobicContact CG-CB 4.38Å; F1078-P1151 HydrophobicContact CE1-CB 4.02Å; F1078-P1151 HydrophobicContact CE2-CB 4.38Å; F1078-P1151 HydrophobicContact CZ-CB 3.77Å; R1149-P1151 WeakPolarHBondContact O-CD 3.5Å; P1151-S1153 PolarHBondContact O-N 3Å
1152I94.9Very high76.6Confident35 Ų3590.2 Ų90.218%0.17950%0.5CS..  trans-82.4111.3176.1-59.3-54.4000109.4H1058 L1070 T1073 F1078 L1079 F1150H1058-I1152 PolarHBondContact NE2-O 3.34Å; L1070-I1152 HydrophobicContact CD2-CG1 3.89Å; T1073-I1152 HydrophobicContact CG2-CD1 3.79Å; F1078-I1152 PolarHBondContact O-N 2.91Å; L1079-I1152 HydrophobicContact CB-CB 4.41Å; L1079-I1152 HydrophobicContact CD2-CB 4.49Å; L1079-I1152 HydrophobicContact CD2-CG2 4.45Å; F1150-I1152 PolarHBondContact O-N 3.44Å
1153S91.9Very high76.7Confident51 Ų5190.3 Ų90.336%0.35748%0.476SS..  trans-62.2136.1-179.5-58.40000113.1L1055 H1058 P1151 I1155L1055-S1153 CarbonylContact O-C 3.52Å; L1055-S1153 WeakPolarHBondContact O-CA 3.43Å; H1058-S1153 PolarHBondContact CE1-O 3.24Å; P1151-S1153 PolarHBondContact O-N 3Å; S1153-I1155 PolarHBondContact O-N 3.37Å
1154R88.7Confident76.7Confident114 Ų11492.4 Ų92.443%0.4348%0.484SS..  trans-71.876.2163.3-171.7-163.4179.4-147.7-2.3109.1L1055 F1057 H1058 A1156L1055-R1154 PolarHBondContact O-N 3.18Å; F1057-R1154 WeakPolarHBondContact O-CD 3.43Å; H1058-R1154 WeakPolarHBondContact CE1-CA 3.21Å; H1058-R1154 PolarHBondContact CE1-N 3.15Å; H1058-R1154 PolarHBondContact NE2-N 3.19Å; R1154-A1156 PolarHBondContact O-N 2.96Å
1155I73.9Confident76.3Confident109 Ų10993.5 Ų93.556%0.55949%0.485SS*.  trans-58.5127.9169.6-58175000107.5S1153 F1157S1153-I1155 PolarHBondContact O-N 3.37Å; I1155-F1157 HydrophobicContact CB-CD2 3.96Å; I1155-F1157 HydrophobicContact CB-CE2 3.83Å; I1155-F1157 HydrophobicContact CD1-CE2 4.27Å; I1155-F1157 HydrophobicContact CG2-CD2 3.7Å; I1155-F1157 HydrophobicContact CG2-CE2 3.45Å; I1155-F1157 VanDerWaalsContact CG2-CE2 3.45Å; I1155-F1157 HydrophobicContact CG2-CG 4.39Å; I1155-F1157 HydrophobicContact CG2-CZ 3.94Å; I1155-F1157 PolarHBondContact O-N 2.59Å
1156A50.4Low75.6Confident90 Ų9094.9 Ų94.974%0.74449%0.485SS*.  trans-77.268.4-177.700000111.4R1154 S1158R1154-A1156 PolarHBondContact O-N 2.96Å; A1156-S1158 PolarHBondContact O-N 2.9Å
1157F35.3Very low74.5Confident176 Ų176101.3 Ų101.377%0.77252%0.518SS*.  trans-72.771.5161.6-68.9-71.6000109.4I1155 H1159I1155-F1157 HydrophobicContact CB-CD2 3.96Å; I1155-F1157 HydrophobicContact CB-CE2 3.83Å; I1155-F1157 HydrophobicContact CD1-CE2 4.27Å; I1155-F1157 HydrophobicContact CG2-CD2 3.7Å; I1155-F1157 HydrophobicContact CG2-CE2 3.45Å; I1155-F1157 VanDerWaalsContact CG2-CE2 3.45Å; I1155-F1157 HydrophobicContact CG2-CG 4.39Å; I1155-F1157 HydrophobicContact CG2-CZ 3.94Å; I1155-F1157 PolarHBondContact O-N 2.59Å; F1157-H1159 PolarHBondContact O-N 3.43Å
1158S31.6Very low72.9Confident109 Ų109106 Ų10676%0.76254%0.541SS*.  trans-72.2114.8160.151.60000108.3A1156A1156-S1158 PolarHBondContact O-N 2.9Å
1159H28.8Very low70.9Confident263 Ų263115.5 Ų115.5100%1.21859%0.589SS**  trans-73.20159-102.1-66.8000110.7F1157F1157-H1159 PolarHBondContact O-N 3.43Å

Retrieved 1,159 of 1,159 residues in 890.6 ms (Link to these results)