A0A5K4F8A4_SCHMA Loading...

TACC_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8A4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,310 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low34.6Very low229 Ų229153.4 Ų153.4100%1.12881%0.811SS**  0113.80-48.9176.491.500105.9
2S32.9Very low34.5Very low105 Ų105147.1 Ų147.173%0.73481%0.81SS**  cis65.1122.146.474.40000113
3S36.4Very low34.1Very low105 Ų105145.3 Ų145.373%0.73481%0.814SS**  cis-155.6138.2-7.8-74.20000107.8
4Q40Very low34.1Very low176 Ų176147.1 Ų147.182%0.82282%0.82SS**  44138.9100-61.4-169.74.700115.5
5T34Very low33.7Very low115 Ų115150.5 Ų150.571%0.70682%0.823SS**  cis-159.3170.925.2-13.80000108.3
6R31.6Very low33.7Very low232 Ų232151.3 Ų151.388%0.87583%0.825SS**  cis-153.6145.710.6-171.9173.6-97.9-169.3-6.4110.8
7L30.5Very low33.5Very low139 Ų139150.7 Ų150.773%0.72882%0.815SS**  trans-97.2159.7175.1-75.2130.8000112.4T9L7-T9 HydrophobicContact CD2-CG2 3.82Å
8V35.9Very low33.5Very low147 Ų147149.4 Ų149.489%0.89182%0.816SS**  trans-133.9123.6135.4-178.50000108.2
9T32.6Very low33.4Very low101 Ų101151.1 Ų151.162%0.6282%0.815SS**  trans-124.6152.317344.30000109L7L7-T9 HydrophobicContact CD2-CG2 3.82Å
10N35Very low33.1Very low158 Ų158150.5 Ų150.585%0.84581%0.809SS**  trans-143.5154.1163.3-130.6-24.9000111.8
11H33.2Very low33.2Very low180 Ų180150 Ų15083%0.83381%0.811SS**  trans-89.6156-163.2-66-108.9000113.7
12G33.1Very low32.7Very low78 Ų78144 Ų14480%0.80479%0.793SS**  trans-177.591.7169.600000113.1
13S30Very low32.7Very low124 Ų124148.3 Ų148.387%0.86780%0.801SS**  trans-85.3129177.8-61.30000111.7
14L33.5Very low32.4Very low170 Ų170147.6 Ų147.689%0.8980%0.802SS**  trans-137.3120.1160.1-84.2178.4000111.4
15K27.6Very low32.2Very low199 Ų199146.3 Ų146.387%0.86581%0.805SS**  trans-76.8146.4152.5-67.9176.6175.3178.70108.1
16L34Very low31.9Very low163 Ų163147.5 Ų147.585%0.85381%0.807SS**  trans-153167.8143.9-110.2166.8000109.7
17Q30.6Very low31.9Very low141 Ų141144.5 Ų144.566%0.65981%0.808SS**  trans-90.6157.2-155.2-67.8178.9-59.400114.9F19Q17-F19 HydrophobicContact CB-CD2 4.44Å
18P33.2Very low31.8Very low128 Ų128143.4 Ų143.483%0.83181%0.807SS**  trans-65.8139.915232-33.5000109.1
19F31.1Very low31.8Very low180 Ų180144 Ų14479%0.78980%0.8SS**  trans-121.1137.6173.6-119.5-87.7000111.9Q17Q17-F19 HydrophobicContact CB-CD2 4.44Å
20I28.5Very low31.7Very low139 Ų139146.6 Ų146.671%0.71381%0.81SS**  trans-87.7129.5-178.8-61.3159.7000108.5
21V35.3Very low31.3Very low140 Ų140145.7 Ų145.785%0.84882%0.815SS**  trans-133.8110.7142-178.90000107
22S28.7Very low31.2Very low105 Ų105140.8 Ų140.873%0.73481%0.813SS**  trans-91.4132.1162.5-55.40000107.8
23E32.4Very low31.1Very low194 Ų194144.5 Ų144.591%0.90781%0.813SS**  trans-143.4135.5152.1-157.6157.9-128.300108.4
24A30.3Very low31Very low91 Ų91145.4 Ų145.475%0.75281%0.807SS**  trans-131.4139.9-17100000109.8
25V34.6Very low31Very low148 Ų148147 Ų14790%0.89781%0.807SS**  trans-129.1129.1163.7-178.40000107.7
26N29.1Very low31Very low140 Ų140144 Ų14475%0.74981%0.805SS**  trans-63.8160.6-173.7-54.1-43.9000113
27L31.2Very low30.8Very low170 Ų170139.2 Ų139.289%0.8980%0.795SS**  -164.8100.2120.7-106.3166.2000113
28T28.6Very low30.7Very low115 Ų115140 Ų14071%0.70680%0.804SS**  trans-159.3134.2169.543.90000106.4
29Q34.8Very low30.6Very low160 Ų160142.6 Ų142.675%0.74881%0.805SS**  cis-119.2178.5-10-65.9119.8-90.900109
30D32.1Very low30.5Very low156 Ų156138.2 Ų138.283%0.83480%0.797SS**  -175.6166.582.5-94.5-30.7000112.6
31C26.5Very low30.4Very low139 Ų139138 Ų13894%0.93980%0.797SS**  trans-111.7138.5177.5-61.60000111.8
32G30.2Very low30.2Very low77 Ų77140.9 Ų140.979%0.79480%0.798SS**  trans-158.269.2-170.800000116.7
33L31.7Very low30.1Very low156 Ų156145.6 Ų145.682%0.81780%0.802SS**  trans32.3112149.2-66.4166.5000121.5
34I27.7Very low29.9Very low142 Ų142143 Ų14373%0.72879%0.793SS**  41.1115.1123.6-52171.1000118.6
35K32.3Very low30.2Very low204 Ų204143.9 Ų143.989%0.88779%0.794SS**  -159.3156.5117.9-111.3168.8-173.3177.80112.8
36T28.6Very low30.1Very low135 Ų135142.8 Ų142.883%0.82879%0.79SS**  trans-116.1162.2-168.648.10000112.7
37G30Very low30.1Very low63 Ų63143.7 Ų143.765%0.64979%0.794SS**  trans106.3153.5162.200000114.2
38D27.7Very low30.6Very low158 Ų158140.8 Ų140.885%0.84579%0.785SS**  cis-171.1175.6-21.3-111.5-44.7000106.6
39E32.1Very low31Very low183 Ų183141.1 Ų141.186%0.85579%0.787SS**  trans65.7154.1172.9-55.8-170.8159.300116.9
40S27.8Very low31.4Very low87 Ų87138.9 Ų138.961%0.60879%0.786SS**  -176.1140.1-59440000107.1
41D27.2Very low31.4Very low136 Ų136138.9 Ų138.973%0.72779%0.785SS**  trans55.8129163.9-54.6-28.2000119
42F30Very low31.7Very low199 Ų199136.2 Ų136.287%0.87377%0.768SS**  -171164.892.1-111-85000113.4
43Y27.5Very low31.9Very low205 Ų205139.3 Ų139.380%0.80477%0.767SS**  trans-78.3166.8-166.6-105.1-97.2000116.4
44L27.4Very low32.1Very low139 Ų139139.1 Ų139.173%0.72876%0.762SS**  trans79.5131.6151.8-71.5160.2000121.3
45S37Very low32.3Very low109 Ų109136 Ų13676%0.76276%0.757SS**  trans-71.1148.1147.9-37.70000109.6
46P32.6Very low32.7Very low125 Ų125131.1 Ų131.181%0.81275%0.746SS**  -153.3-177.182.840.8-21.5000116.8
47L29.9Very low33.2Very low160 Ų160130 Ų13084%0.83874%0.739SS**  trans-72.7175.5161-114.868.9000111.5
48P41.4Very low33.5Very low108 Ų108133.6 Ų133.670%0.70174%0.744SS**  cis-139.3-167.9-5.639.6-18.7000116.1
49T37.7Very low33.7Very low122 Ų122132.6 Ų132.675%0.74874%0.738SS**  trans-47.2160.4159.958.50000115.5
50P41.5Very low33.6Very low113 Ų113130.8 Ų130.873%0.73474%0.735SS**  -144.9-169.879.530.9-6.1000112.4
51L32.6Very low33.8Very low156 Ų156130.1 Ų130.182%0.81773%0.73SS**  cis-152.616927.7-77164.8000107.3
52S33.9Very low34.2Very low83 Ų83127.6 Ų127.658%0.5872%0.715SS**  cis-167.8179.40.2-110.70000106.3
53D33.5Very low34.4Very low143 Ų143124 Ų12477%0.76571%0.712SS**  cis-156.2177.2-1.4-108.7-12.1000106.5
54E35.9Very low34.4Very low152 Ų152116.5 Ų116.571%0.7170%0.697SS**  cis-138.5-155.25.6-147.5-111.289.200109.2
55A31.5Very low34.4Very low75 Ų75117.3 Ų117.362%0.6270%0.699SS**  trans-128.1-146.2179.400000108.3
56P41Very low34Very low102 Ų102118.4 Ų118.466%0.66269%0.692SS**  cis-119.4176.8-13.934.4-13.7000111.9
57T39.5Very low33.9Very low112 Ų112119 Ų11969%0.68768%0.684SS**  cis-159.4147.542.449.30000113.7
58N35.9Very low33.9Very low138 Ų138116.5 Ų116.574%0.73868%0.675SS**  trans57.7152.6141.8-67.4-26.9000123.2
59N33.1Very low33.4Very low137 Ų137120 Ų12073%0.73368%0.679SS**  cis-165.6169.6-44.9-122.8-46000110.4
60N29.9Very low33Very low146 Ų146121.1 Ų121.178%0.78168%0.676SS**  trans-89.9166.8-165.9-70.5-53.1000117.3
61S31.1Very low32.6Very low72 Ų72122 Ų12250%0.50367%0.669SS.*  trans80.5104.1148.5-62.30000122.3N905S61-N905 PolarHBondContact OG-ND2 2.83Å
62I35.5Very low32.5Very low83 Ų83120.5 Ų120.543%0.42666%0.661SS.*  -0.1124.6126.9-63.2153.5000115.1K903I62-K903 HydrophobicContact CD1-CG 4.18Å; I62-K903 HydrophobicContact CG1-CG 4.46Å; I62-K903 HydrophobicContact CG2-CB 4.45Å; I62-K903 HydrophobicContact CG2-CD 3.77Å; I62-K903 HydrophobicContact CG2-CG 3.85Å
63P33.8Very low32.3Very low124 Ų124120.8 Ų120.881%0.80567%0.668SS**  -135-174.678.619.63.9000113.3
64G28.6Very low32.1Very low47 Ų47119.2 Ų119.249%0.48567%0.668SS.*  cis148.991.4-8.800000115
65M27Very low32Very low156 Ų156123 Ų12377%0.76868%0.676SS**  trans77.7119.5160-56.1-114.9-79.700117.3
66Q28.9Very low31.9Very low133 Ų133125.3 Ų125.362%0.62169%0.685SS**  95.4150.3109.2-77.9179.3-65.700112.3
67E30.5Very low31.5Very low138 Ų138128.5 Ų128.565%0.64569%0.69SS**  cis-149.5143-1.9-117.2162.516900109.4
68V29.9Very low31.1Very low107 Ų107128.9 Ų128.965%0.64870%0.695SS**  60.5129.195.2-178.80000112.6
69F29.8Very low30.8Very low180 Ų180127.3 Ų127.379%0.78970%0.695SS**  -138.5166.460.8-85.9-94.4000112.3
70E30.2Very low30.9Very low146 Ų146126 Ų12668%0.68269%0.693SS**SBendcis-135.7172.917.3-75.5-164.7156.200109.9
71K33.2Very low30.7Very low133 Ų133126.3 Ų126.358%0.57869%0.693SS**  cis-169.5153.5-19.6-94.9170.7-177.9156.60102.9
72L29.8Very low30.6Very low124 Ų124130.5 Ų130.565%0.64971%0.709SS**  cis-163.1175.57.8-118.8163.5000109.9
73A31Very low30.3Very low89 Ų89130.6 Ų130.674%0.73672%0.723SS**  trans64.692.8154.800000119
74S28.7Very low30Very low110 Ų110128.9 Ų128.977%0.76972%0.719SS**  trans-59163151.152.60000113.7
75R34.3Very low30.1Very low232 Ų232132.4 Ų132.488%0.87573%0.731SS**  trans-22.6144.7163.1-58175.1175.4-178.3-3115.5
76P28.3Very low30.1Very low122 Ų122132.3 Ų132.379%0.79273%0.733SS**  -143171.410241.2-29.5000115.8
77H32.7Very low30.4Very low170 Ų170131.7 Ų131.779%0.78774%0.739SS**  trans-67.3163.7156.7-65.4-92.1000109.7
78P31.5Very low30.4Very low120 Ų120132.5 Ų132.578%0.77974%0.74SS**  cis-145.5-158.933.642-19000116.3
79S28.9Very low30.5Very low105 Ų105136.1 Ų136.173%0.73475%0.747SS**  trans-62170.6166.145.30000113.2
80P35.7Very low30.8Very low109 Ų109130.9 Ų130.971%0.70875%0.745SS**  cis-147.7-174.826.645.6-24.9000119
81I25.3Very low31Very low152 Ų152129 Ų12978%0.77975%0.747SS**  trans1.8127.2145.7-51162.5000118.5
82L29.2Very low31Very low160 Ų160131 Ų13184%0.83876%0.758SS**  162.4154.3112.3-157.771.8000112.9
83A28.8Very low31.3Very low86 Ų86132.1 Ų132.171%0.71176%0.764SS**  trans64131.4164.100000118.1
84A28.5Very low31.3Very low88 Ų88133.9 Ų133.973%0.72776%0.76SS**  cis80.7138.84500000112.9
85T29.2Very low31.5Very low121 Ų121135.3 Ų135.374%0.74276%0.764SS**  cis-163160.114.6-150000112.5
86L28.9Very low31.4Very low154 Ų154129 Ų12981%0.80676%0.755SS**  trans67.1158.7160.7-59.1167.8000115.8
87T33.7Very low31.5Very low120 Ų120131.7 Ų131.774%0.73676%0.757SS**  cis-164.7163.66.46.50000107.5
88K32Very low31.3Very low155 Ų155128.8 Ų128.867%0.67475%0.747SS**  cis179.5161.8-22.9178.3-177.5175.7-171.90108.7
89F31.6Very low31.7Very low182 Ų182128.1 Ų128.180%0.79874%0.743SS**  trans88.5130.3162.5-75-66.5000121.5
90G35.6Very low32.1Very low71 Ų71127 Ų12773%0.73273%0.731SS**  trans103.9132.6149.800000117.2
91S35Very low32Very low106 Ų106126.5 Ų126.574%0.74174%0.736SS**  cis178.3134.4-32.840.10000110.3
92H33.5Very low32.4Very low174 Ų174123.7 Ų123.781%0.80672%0.723SS**  trans55.8126.8162.5-80.4-76.6000117.6
93I34.6Very low32.7Very low149 Ų149122.7 Ų122.776%0.76471%0.712SS**  cis-152.1167.442.4-101.2137.5000111.4
94D30.6Very low32.7Very low125 Ų125123 Ų12367%0.66871%0.708SS**  trans-53.6162.2-175.4-44-82.1000115.6
95V34.2Very low32.9Very low140 Ų140124.7 Ų124.785%0.84870%0.704SS**  cis-135.6149.327.9179.70000113.3
96C30.9Very low33Very low100 Ų100125.3 Ų125.368%0.67670%0.702SS**  trans-68.8152.6-178.5-710000114.3
97Q31.3Very low33.1Very low178 Ų178124.1 Ų124.183%0.83270%0.696SS**  cis75.2136.948.8-65.9-173-17.900113.2
98D27.9Very low32.9Very low109 Ų109122 Ų12258%0.58369%0.687SS**  -138.8179.776.6-128.420.8000112.5L326D98-L326 WeakPolarHBondContact OD2-CD1 3.47Å
99P40.1Very low32.6Very low106 Ų106121 Ų12169%0.68869%0.688SS**  cis-157.1179.138.647.8-25.8000121.3
100V37.3Very low32.5Very low82 Ų82118.1 Ų118.150%0.49769%0.686SS.*  trans65.5118.3155.8-164.80000122.2
101A34.4Very low32Very low98 Ų98121.5 Ų121.581%0.8169%0.686SS**  trans-165.2147.9140.300000113.8
102N33.9Very low31.8Very low93 Ų93124.7 Ų124.750%0.49769%0.689SS.*  cis-169.8-179.9-31.8-141.5-48000112.5R329N102-R329 PolarHBondContact O-NH2 3.07Å
103K34.7Very low31.4Very low139 Ų139121 Ų12160%0.60468%0.683SS**  trans71.7106.8139.2-89.6177.1-179.1177.30123.2R329K103-R329 VanDerWaalsContact C-NH2 3.27Å; K103-R329 PolarHBondContact O-NH1 3.34Å; K103-R329 PolarHBondContact O-NH2 3.41Å
104C30.1Very low31.4Very low93 Ų93122.7 Ų122.763%0.62869%0.687SS**  158.1148.899.9-85.80000113.4
105L31.6Very low31.3Very low123 Ų123124.8 Ų124.864%0.64470%0.699SS**  cis-173.9132.9-26.6-107.1-171.8000108.4
106L32.1Very low31Very low134 Ų134120.6 Ų120.670%0.70268%0.683SS**  trans62.1158.3148.8-50.6174.2000118.4
107N29.1Very low30.8Very low130 Ų130120.9 Ų120.970%0.69569%0.686SS**  cis-167.8170.6-12.3-108.711.5000108.2
108S29.7Very low30.6Very low76 Ų76119.3 Ų119.353%0.53168%0.684SS.*  cis-177.7-167.1-27.959.40000109.4
109N27.2Very low30.8Very low133 Ų133124.2 Ų124.271%0.71170%0.7SS**  trans85110.8158.9-64.99000121.6
110T28.3Very low30.1Very low121 Ų121124.1 Ų124.174%0.74270%0.702SS**  trans83.1128.5130.453.10000123.9
111L24.8Very low30Very low142 Ų142129.9 Ų129.974%0.74372%0.721SS**  trans66.9105.2140.2-70.1165.3000120.2
112H30.8Very low29.8Very low174 Ų174136.4 Ų136.481%0.80672%0.724SS**  -168.2167.797.3-105.282.4000114.7
113S25Very low29.5Very low97 Ų97136.4 Ų136.468%0.67873%0.731SS**  trans-78.5160.3174.254.20000113.5
114H35.1Very low29.4Very low183 Ų183138.5 Ų138.585%0.84774%0.743SS**  trans-129.3136.9158-111-89.2000112
115N29.1Very low29.5Very low170 Ų170138.5 Ų138.591%0.90974%0.741SS**  trans-153.5145.1158.1-149.6-9.8000108.8
116G27.9Very low29.3Very low51 Ų51143.4 Ų143.453%0.52675%0.752SS.*  trans85.4150.2-166.900000113.5
117S27Very low29.2Very low106 Ų106143.4 Ų143.474%0.74175%0.752SS**  cis-162153.2-4.848.60000111.3
118D25.8Very low29.3Very low145 Ų145145.5 Ų145.578%0.77576%0.755SS**  trans33.1126.7152.7-54.1-43.3000120.6
119F31.5Very low29.2Very low212 Ų212147.9 Ų147.993%0.9377%0.771SS**  -157.2146.9108.1-121-80.8000112.7
120S27Very low29.5Very low104 Ų104146.3 Ų146.373%0.72776%0.76SS**  trans-88.1138.8-179.2177.10000112.7
121K35.2Very low29.5Very low204 Ų204147.6 Ų147.689%0.88777%0.767SS**  trans-160.8127152.2-111.9160.7-171.4175.30113.7
122R30.4Very low29.7Very low235 Ų235147.5 Ų147.589%0.88776%0.763SS**  trans28101.4157.5-78.5-178.8166.9158.3-4.2120.3
123S27.9Very low29.7Very low92 Ų92147.5 Ų147.564%0.64377%0.767SS**  4.8132.3117.857.80000120.3
124Q32.2Very low29.7Very low183 Ų183148 Ų14886%0.85577%0.77SS**  trans71.5145.9140.5-66.5-177.7-600118.4
125V30.8Very low29.5Very low94 Ų94144.9 Ų144.957%0.5777%0.769SS**  cis-152.5149.3-3.3104.90000111L127V125-L127 HydrophobicContact CG2-CG 4.39Å
126Y27.5Very low29.6Very low226 Ų226142.9 Ų142.989%0.88677%0.769SS**  trans-153.5152.5131.5-126.9-87.8000109.9
127L30.8Very low29.6Very low134 Ų134149.7 Ų149.770%0.70278%0.784SS**  trans-125.6147.5-164.2-69.6157.4000111.3V125V125-L127 HydrophobicContact CG2-CG 4.39Å
128K30.4Very low30Very low174 Ų174152.4 Ų152.476%0.75779%0.789SS**  -176.2118.5112.8-98.1-162.3-170.9-151.60112.6Q130K128-Q130 HydrophobicContact CG-CG 4.48Å
129S28.6Very low30Very low125 Ų125152.3 Ų152.387%0.87479%0.788SS**  -136.1121.4125.154.80000106.8
130Q32.3Very low30Very low100 Ų100150 Ų15047%0.46779%0.785SS.*  trans-108.6138.5-179.7-75.5-179.8-72.200109.6K128 E132K128-Q130 HydrophobicContact CG-CG 4.48Å; Q130-E132 HydrophobicContact CB-CG 4.31Å; Q130-E132 VanDerWaalsContact NE2-CD 3.33Å; Q130-E132 PolarHBondContact NE2-OE1 2.73Å
131V29.4Very low29.9Very low149 Ų149153.5 Ų153.590%0.90379%0.787SS**  trans-122101.1147.3177.40000105
132E28.3Very low29.5Very low140 Ų140150.9 Ų150.965%0.65478%0.782SS**  trans-85.7128.5176.2-69.1176150.800109.9Q130Q130-E132 HydrophobicContact CB-CG 4.31Å; Q130-E132 VanDerWaalsContact NE2-CD 3.33Å; Q130-E132 PolarHBondContact NE2-OE1 2.73Å
133I31.2Very low29.6Very low173 Ų173149.2 Ų149.289%0.88778%0.782SS**  trans-141.5108.9138.2-54.1-178.2000107
134S25.8Very low30Very low107 Ų107150.4 Ų150.475%0.74879%0.787SS**  trans-161108.4171.358.40000112.5
135S29.8Very low29.9Very low118 Ų118147.4 Ų147.483%0.82579%0.787SS**  trans-171.8117.2156.741.70000111.7
136S32.3Very low30.1Very low128 Ų128148.5 Ų148.590%0.89580%0.799SS**  trans-17294.5156-79.50000108.3
137F27.9Very low30.7Very low195 Ų195142.9 Ų142.986%0.85579%0.79SS**  trans-84.6145.4159.8-105.6-99.1000108.5
138I35.6Very low30.7Very low162 Ų162144.3 Ų144.383%0.83180%0.797SS**  trans-162.3123.4147.8-100.1149.4000106.3
139D25.3Very low30.8Very low144 Ų144141.2 Ų141.277%0.7780%0.798SS**  trans-77.5148.2164.4-90.7-64.2000109.7
140L30.6Very low30.8Very low163 Ų163138.8 Ų138.885%0.85379%0.792SS**  trans-161.9135.7145.2-111.3164.3000110.7
141K26.5Very low30.9Very low178 Ų178138.9 Ų138.977%0.77481%0.81SS**  trans-86.5150.9165-58.4174.1-178.1173.60108.5
142D26.7Very low31Very low148 Ų148141.6 Ų141.679%0.79181%0.81SS**  165.2130.5113.2-81.4-21.8000112.5
143F31.3Very low31.1Very low201 Ų201138.8 Ų138.888%0.88281%0.811SS**  trans-94.1154.8153.5-90.9-84000106.3
144P36.6Very low31Very low116 Ų116137.3 Ų137.375%0.75381%0.805SS**  -155.417654.542.7-22.4000117.7
145S30.8Very low31.2Very low120 Ų120140.1 Ų140.184%0.83980%0.804SS**  176.7145.4117.542.50000112.3
146S34.6Very low31.3Very low118 Ų118142.1 Ų142.183%0.82580%0.8SS**  trans-156.4155.1169.960.80000109.3
147P40Very low31.2Very low107 Ų107140.3 Ų140.370%0.69579%0.788SS**  trans-134.3127.1167.432.5-15.1000115.1
148L30.8Very low31.3Very low164 Ų164138.9 Ų138.986%0.85979%0.788SS**  66.2144.1129.4-61.8170.7000119.8
149S31.7Very low30.9Very low110 Ų110140.2 Ų140.277%0.76978%0.783SS**  cis-166155-8.9-1760000111.7
150G30Very low31Very low73 Ų73142.4 Ų142.475%0.75378%0.781SS**  trans85.9147.5157.900000117.3
151A33.6Very low31.6Very low103 Ų103140.8 Ų140.885%0.85178%0.778SS**  cis-155.9178.5-7.400000112.1
152F30.9Very low32.1Very low205 Ų205137.2 Ų137.290%0.89977%0.773SS**  trans-59.4137-166.6-79-103.8000118.5
153A30.5Very low32.3Very low81 Ų81137.7 Ų137.767%0.66977%0.774SS**  54.5147.612200000124.9
154D30.5Very low32.4Very low142 Ų142132.4 Ų132.476%0.75976%0.763SS**  trans86.5114.3148.4-67.9-9.8000124.8
155F29.2Very low32.4Very low167 Ų167132.8 Ų132.873%0.73276%0.758SS**  trans52106.7138.1-76.2-89.1000123.7
156Q31.7Very low32.4Very low159 Ų159132.1 Ų132.174%0.74375%0.745SS**  66.9121123.9-81.9-167.124.600122.6
157S30.5Very low32.2Very low91 Ų91129.5 Ų129.564%0.63673%0.726SS**  97.7103.8126.1-65.80000121.7
158L29.9Very low32Very low164 Ų164127.3 Ų127.386%0.85971%0.713SS**  trans93.6161.6135.9-63171.5000120.9
159R27.1Very low32.3Very low191 Ų191123.8 Ų123.872%0.72170%0.702SS**  trans-80173.9-165-44.1177.3-171.8-175.95.1111.5
160Y28.2Very low32.5Very low190 Ų190124.4 Ų124.475%0.74571%0.707SS**  cis-156.7174.129.2-122.3-71.8000112.3
161V41.8Very low32.6Very low128 Ų128125.8 Ų125.878%0.77671%0.711SS**  trans-103.9148.2178.9-179.40000112.2
162P38Very low32.6Very low104 Ų104126.7 Ų126.768%0.67571%0.711SS**  trans-132.6132.7146.915.96.7000114.3
163L31.3Very low32.7Very low157 Ų157124.4 Ų124.482%0.82271%0.706SS**  94.9153.883.2-71.2178.1000113.7
164S32.1Very low32.6Very low91 Ų91125.4 Ų125.464%0.63671%0.709SS**  cis178.8-163-29.9-96.60000111.2
165L37.1Very low32.7Very low124 Ų124126 Ų12665%0.64971%0.711SS**  trans90.3152.3158.5-52.3124.6000116.7N429L165-N429 VanDerWaalsContact CD2-O 3.29Å; L165-N429 WeakPolarHBondContact CD2-O 3.43Å
166D30.4Very low32.5Very low105 Ų105122.2 Ų122.256%0.56171%0.705SS**  cis-148.9175.513.1-161.519.9000109.9Q430D166-Q430 CarbonylContact C-O 3.35Å; D166-Q430 WeakPolarHBondContact CA-O 3.14Å; D166-Q430 PolarHBondContact OD1-N 3.4Å
167C31.8Very low32.3Very low63 Ų63121.3 Ų121.343%0.42671%0.711SS.*  cis-165.9168.53-143.20000108Q430 V431C167-Q430 PolarHBondContact N-O 3.48Å; C167-V431 VanDerWaalsContact C-CB 3.49Å; C167-V431 WeakPolarHBondContact O-CG1 3.46Å
168S34.9Very low32.2Very low61 Ų61120.7 Ų120.743%0.42771%0.711SS.*  cis-165.3157-13.526.40000114.1
169S37.6Very low32Very low90 Ų90120.1 Ų120.163%0.62971%0.709SS**  trans74.7148152.973.70000122.6
170S35.1Very low32.3Very low124 Ų124116.2 Ų116.287%0.86771%0.711SS**  cis-155.9-174.61.453.60000114
171A32.6Very low32.3Very low102 Ų102112.2 Ų112.284%0.84371%0.706SS**  trans-144.3176.6-161.800000116.7
172S33.1Very low31.9Very low122 Ų122113.5 Ų113.585%0.85371%0.708SS**  trans-167.6167.4162.760.70000115.6
173I33.1Very low31.4Very low156 Ų156115.4 Ų115.480%0.871%0.712SS**  trans-141.5132177.8-69.2177.8000112
174S29.5Very low31.4Very low103 Ų103116 Ų11672%0.7271%0.711SS**  trans71.5165.4158.376.70000121.8
175L31.1Very low31.3Very low153 Ų153116.9 Ų116.980%0.80172%0.716SS**  trans78.298.4173-96.372.9000121
176S26.8Very low31.2Very low89 Ų89116.6 Ų116.662%0.62272%0.719SS**  46.7112.7118.866.70000123
177T26.7Very low31.3Very low140 Ų140118.2 Ų118.286%0.85973%0.727SS**  74144.7122.4-390000121.2
178A27.6Very low31.4Very low77 Ų77123.3 Ų123.364%0.63675%0.745SS**  trans89.9107.9157.100000120.7
179N26.9Very low31.4Very low152 Ų152124.7 Ų124.781%0.81376%0.755SS**  64.2116.2127.2-54.8-1000122.3
180S33Very low31.2Very low110 Ų110127.1 Ų127.177%0.76976%0.761SS**  -157.6134.7114-142.80000106.8
181V27.4Very low31Very low106 Ų106126.9 Ų126.964%0.64276%0.758SS**  cis71102.730.4-165.90000113.3
182L33.5Very low30.7Very low154 Ų154130 Ų13081%0.80676%0.759SS**  trans158.8105.4135.8-101.4106.5000106.7
183D27.8Very low31.1Very low145 Ų145129.3 Ų129.378%0.77575%0.752SS**  cis101.2162.232.1-165.123.1000112.8
184Q32.1Very low30.9Very low168 Ų168127.7 Ų127.779%0.78575%0.749SS**  trans84.8126-166.1-56.6177.814.600115.1
185C29.9Very low30.8Very low111 Ų111133 Ų13375%0.7576%0.755SS**  cis-143.2161.7-17.3-77.50000106.1
186V35.1Very low30.7Very low117 Ų117129.8 Ų129.871%0.70975%0.745SS**  -159.213553.5166.80000109
187D32.1Very low30.7Very low139 Ų139132.9 Ų132.974%0.74376%0.755SS**  trans44136156.9-44.3-14.6000120.2
188E33.2Very low30.9Very low171 Ų171131.8 Ų131.880%0.79975%0.751SS**  cis-159.9153.7-1.7-128.4-180170.800111
189S34.9Very low31.6Very low90 Ų90133.5 Ų133.563%0.62976%0.756SS**  trans15.7149150.662.30000123
190D33.6Very low32.6Very low141 Ų141130.8 Ų130.875%0.75475%0.747SS**  cis-170.4160.1-9.5-122.8-55.5000113.8
191C31.6Very low32.4Very low119 Ų119131.3 Ų131.380%0.80474%0.741SS**  trans54.5160.6149.3-74.80000125.5
192L26.5Very low32.7Very low166 Ų166133.5 Ų133.587%0.86975%0.748SS**  trans-109.1-177.4-177.9-68.7167000110.8
193P41.4Very low32.7Very low109 Ų109132 Ų13271%0.70874%0.737SS**  cis-132.8-159.9-28.223.61.7000112.6
194V28.8Very low33.3Very low121 Ų121134.1 Ų134.173%0.73374%0.742SS**  trans94116.8153.6-168.70000118.5
195Y27.7Very low33.6Very low215 Ų215134.7 Ų134.784%0.84375%0.745SS**  trans66.1163.1162.6-94.4-114.4000120
196S27.6Very low33.9Very low86 Ų86137 Ų13760%0.60175%0.745SS**  trans-24.2132.9172.950.70000117.7
197N27.8Very low33.9Very low153 Ų153136 Ų13682%0.81874%0.744SS**  -170.5171.4108.5-90.6-28.1000112.2
198C31.1Very low33.8Very low117 Ų117136 Ų13679%0.79174%0.744SS**  trans-82.8-125.6150.5-52.20000107.2
199P42.4Very low33.8Very low114 Ų114135 Ų13574%0.7474%0.742SS**  -99.6-106.7-66.118.93.3000107.1
200P46.7Very low33.8Very low94 Ų94136.5 Ų136.561%0.6175%0.748SS**  cis-133.3162-40.333.2-14.3000117
201N29.9Very low34.4Very low121 Ų121135.1 Ų135.165%0.64775%0.746SS**  trans65.5170.4140.4-67.530.9000117.9E203N201-E203 PolarHBondContact ND2-OE1 2.75Å
202L34.1Very low34.5Very low152 Ų152134.6 Ų134.680%0.79674%0.744SS**  cis-133.9153.617.5-58.7145.7000111.9
203E33.3Very low34.9Very low123 Ų123134.5 Ų134.558%0.57574%0.739SS**  cis-126.8-105.6-4.5-16472.9-69.500114.9N201N201-E203 PolarHBondContact ND2-OE1 2.75Å
204E39.4Very low34.5Very low189 Ų189135.4 Ų135.488%0.88374%0.738SS**  cis-142.6169.713-64.8-178.3100.300112.4
205E37.6Very low34.7Very low180 Ų180132.6 Ų132.684%0.84172%0.72SS**  trans-80.4159.1-175.2-67.3-177.7148.300113.6
206E37.3Very low35Very low159 Ų159126.6 Ų126.674%0.74370%0.7SS**  cis-157.3160.1-0.3-130-153117.300112.5
207S34.1Very low35.2Very low98 Ų98127.5 Ų127.569%0.68569%0.693SS**  trans17.2133.1148.7-50.20000122.2
208D30.4Very low35.5Very low139 Ų139124.6 Ų124.674%0.74368%0.681SS**  cis-149.7-101.8-8.8177.421000111.4
209L34.2Very low35.6Very low148 Ų148122.3 Ų122.378%0.77567%0.666SS**  cis-158.780.8-2.9-150.4175.4000113.6
210V34.7Very low35.2Very low122 Ų122125 Ų12574%0.73967%0.669SS**  trans67.8143.7154.31790000121.8
211P45.1Very low34.6Very low112 Ų112124.7 Ų124.773%0.72767%0.669SS**  trans-134.2-166.3-164.345.6-26.9000116.9
212S35.4Very low34.7Very low108 Ų108125 Ų12576%0.75568%0.675SS**  trans-159.8111.8153.6-71.60000109.4
213E33.8Very low34.6Very low164 Ų164127.6 Ų127.677%0.76668%0.675SS**  92.6136.593.8-69.6-128.2122.200114.6
214L33.1Very low34.5Very low129 Ų129129.1 Ų129.168%0.67568%0.682SS**  cis-169.2138.9-25.1-137.780.8000109.5
215V34Very low34.1Very low61 Ų61126.4 Ų126.437%0.3767%0.672SS.*  63.7122.8125.2151.30000122.2P1009 N1010V215-P1009 CarbonylContact C-O 2.91Å; V215-P1009 WeakPolarHBondContact CA-O 3.29Å; V215-P1009 WeakPolarHBondContact CB-O 3.31Å; V215-P1009 HydrophobicContact CG2-CB 4.11Å; V215-P1009 VanDerWaalsContact CG2-O 3.31Å; V215-P1009 WeakPolarHBondContact CG2-O 3.33Å; V215-N1010 CarbonylContact C-O 3.33Å; V215-N1010 HydrophobicContact CB-CB 4.28Å; V215-N1010 VanDerWaalsContact CG1-C 3.47Å; V215-N1010 HydrophobicContact CG1-CB 3.76Å; V215-N1010 WeakPolarHBondContact CG1-O 3.17Å; V215-N1010 HydrophobicContact CG2-CB 3.71Å
216Q33.9Very low34.1Very low89 Ų89122.6 Ų122.642%0.41666%0.663SS.*  cis112.8-163.74.84680.2-122.500122.9L1008 P1009 N1010Q216-L1008 VanDerWaalsContact NE2-C 3.25Å; Q216-P1009 CarbonylContact C-O 3.3Å; Q216-P1009 WeakPolarHBondContact CA-O 3.26Å; Q216-P1009 VanDerWaalsContact CB-C 3.45Å; Q216-P1009 WeakPolarHBondContact CB-O 3.41Å; Q216-P1009 HydrophobicContact CG-CB 3.89Å; Q216-P1009 HydrophobicContact CG-CG 3.68Å; Q216-P1009 WeakPolarHBondContact CG-O 3.35Å; Q216-P1009 PolarHBondContact N-O 3.15Å; Q216-P1009 VanDerWaalsContact N-O 3.15Å; Q216-P1009 PolarHBondContact OE1-O 3.38Å; Q216-N1010 CarbonylContact C-O 3.53Å; Q216-N1010 VanDerWaalsContact CA-O 3.31Å; Q216-N1010 WeakPolarHBondContact CA-O 3.46Å; Q216-N1010 PolarHBondContact N-O 3.41Å; Q216-N1010 CarbonylContact O-C 3.58Å
217F30.1Very low33.8Very low105 Ų105118.8 Ų118.846%0.46165%0.654SS.*  trans57.8162.5-176.5-98.5-146.8000120L1008 P1009 N1010 T1011F217-L1008 VanDerWaalsContact CA-O 3.27Å; F217-L1008 WeakPolarHBondContact CA-O 3.29Å; F217-L1008 VanDerWaalsContact CD2-O 3.27Å; F217-L1008 WeakPolarHBondContact CD2-O 3.16Å; F217-L1008 PolarHBondContact N-O 3.28Å; F217-P1009 VanDerWaalsContact CD2-C 3.47Å; F217-P1009 VanDerWaalsContact CD2-CA 3.49Å; F217-N1010 VanDerWaalsContact CB-N 3.26Å; F217-N1010 WeakPolarHBondContact CZ-OD1 3.48Å; F217-T1011 HydrophobicContact CB-CG2 4.06Å; F217-T1011 HydrophobicContact CD1-CG2 3.2Å; F217-T1011 HydrophobicContact CE1-CG2 3.8Å; F217-T1011 HydrophobicContact CG-CG2 3.89Å
218V34.9Very low33.6Very low93 Ų93120.4 Ų120.456%0.56466%0.655SS**  cis-179.3158.7-231160000107.2
219S33.5Very low33.6Very low69 Ų69121 Ų12148%0.48366%0.657SS.*  cis-161176.8-15.962.60000109.4
220E34.2Very low33.4Very low170 Ų170119.4 Ų119.479%0.79465%0.653SS**  trans59148.6149.1-74.4158.5105.700121.2
221S33.9Very low33.4Very low87 Ų87121.4 Ų121.461%0.60866%0.66SS**  cis-157.3154.26-132.70000113.1
222T31.6Very low32.6Very low127 Ų127121.2 Ų121.278%0.77966%0.656SS**  trans60.5137.3159.257.50000119.3
223R31.4Very low32.3Very low207 Ų207122.4 Ų122.478%0.78166%0.659SS**  cis-169.8144.939-124.2168-161.7-148.37.3111.2
224Q31.4Very low32.2Very low155 Ų155120.3 Ų120.372%0.72466%0.662SS**  trans58.5153.8146.3-68.1165.6-53.700121.1
225I31.3Very low32Very low132 Ų132118.9 Ų118.968%0.67767%0.669SS**  cis175.3152.8-30.2-116.2170.6000107.3
226P37Very low31.8Very low101 Ų101119.4 Ų119.466%0.65669%0.687SS**  -127-156.1-66.535.8-10.9000112.3
227S31.7Very low31.6Very low79 Ų79123.4 Ų123.455%0.55271%0.711SS**  trans31.2146.9140.4-69.10000122.9
228D29.1Very low31.7Very low132 Ų132123 Ų12371%0.70672%0.721SS**  cis-172.8-168-4.7-116.5-66.3000108.1
229L31.1Very low31.5Very low151 Ų151126.3 Ų126.379%0.79174%0.736SS**  cis-154.3-171.53.6-133.6-175.6000109.4
230V31Very low31.5Very low115 Ų115130 Ų13070%0.69775%0.749SS**  trans-109.5156.1161.5172.40000109.4V232V230-V232 HydrophobicContact CG1-CG2 4.24Å
231D33Very low31.3Very low163 Ų163129.6 Ų129.687%0.87275%0.747SS**  trans-139.9143175.6-147.5-12.5000113.1
232V29Very low31.2Very low108 Ų108132.8 Ų132.866%0.65576%0.757SS**  trans-147.5120-163169.90000111.5V230V230-V232 HydrophobicContact CG1-CG2 4.24Å
233V29.8Very low31.3Very low134 Ų134133.1 Ų133.181%0.81275%0.752SS**  trans55.8122.4155.6176.40000118.2
234S31.1Very low31.1Very low119 Ų119130.5 Ų130.583%0.83275%0.754SS**  -176.2175.7105.7-151.20000113.4
235A28.3Very low31.1Very low100 Ų100131.9 Ų131.983%0.82676%0.76SS**  trans-101.7170.5177.300000112.3
236G30Very low31Very low71 Ų71134.7 Ų134.773%0.73277%0.77SS**  trans179.573.8177.700000113.8
237D29.2Very low30.6Very low174 Ų174133.3 Ų133.393%0.9377%0.767SS**  trans-73.1129.5160.7-82.9-53.6000109.3
238S33.9Very low30.5Very low95 Ų95141.2 Ų141.266%0.66479%0.785SS**  trans-152.2117.9163.5440000109.6I240S238-I240 PolarHBondContact O-N 2.96Å
239D30.3Very low30.4Very low164 Ų164143.3 Ų143.388%0.87780%0.795SS**  trans-69.4119.1165.8-75.8-70.6000108
240I34.3Very low30.2Very low147 Ų147141.1 Ų141.175%0.75480%0.799SS**  trans-117.6139169-63.4-179000107.8S238S238-I240 PolarHBondContact O-N 2.96Å
241E28.5Very low30.1Very low161 Ų161140.6 Ų140.675%0.75280%0.8SS**  trans-70.9126.4-175.2-57.3179.2130.300111I243E241-I243 HydrophobicContact CB-CG1 4.26Å; E241-I243 PolarHBondContact O-N 3.03Å
242D31.3Very low30.1Very low153 Ų153141.2 Ų141.282%0.81880%0.803SS**  trans-69.879.8165.4-81.1-47.6000109
243I33.6Very low30.1Very low134 Ų134141.7 Ų141.769%0.68781%0.809SS**  trans-65.7140.4169.8-66.1173.9000109.2E241 H245E241-I243 HydrophobicContact CB-CG1 4.26Å; E241-I243 PolarHBondContact O-N 3.03Å; I243-H245 PolarHBondContact O-N 2.83Å; I243-H245 VanDerWaalsContact O-N 3.1Å
244D29Very low29.9Very low152 Ų152142 Ų14281%0.81381%0.805SS**  trans-56.7113.2-177.5-77.1-62.8000112.9E246D244-E246 PolarHBondContact O-N 3.1Å
245H30.8Very low30Very low185 Ų185142.3 Ų142.386%0.85680%0.804SS**  trans-85.252.5178.9-126.2-36.7000112.8I243 A247I243-H245 PolarHBondContact O-N 2.83Å; I243-H245 VanDerWaalsContact O-N 3.1Å; H245-A247 VanDerWaalsContact C-N 3.29Å; H245-A247 PolarHBondContact O-N 2.86Å
246E29.4Very low30.1Very low191 Ų191144.1 Ų144.189%0.89380%0.799SS**  trans-7278.7165.8-79.6-147.6140.600111.2D244D244-E246 PolarHBondContact O-N 3.1Å
247A28.1Very low30Very low72 Ų72148.3 Ų148.360%0.59580%0.803SS**  trans-16572.2165.100000114.4H245H245-A247 VanDerWaalsContact C-N 3.29Å; H245-A247 PolarHBondContact O-N 2.86Å
248R28.8Very low29.9Very low245 Ų245151.8 Ų151.893%0.92580%0.803SS**SBendtrans175.498.4148.4-99.2154-173.1-1460.4113.2
249L28.8Very low29.6Very low176 Ų176152.8 Ų152.892%0.92181%0.81SS**  trans176.775.1135.3-98.3170.6000109.8
250A25.8Very low29.8Very low105 Ų105150.9 Ų150.987%0.86881%0.807SS**  trans-135.553.6179.200000111
251S30.1Very low29.5Very low104 Ų104148.7 Ų148.773%0.72781%0.805SS**  trans-163.176.2-179.659.80000112.6
252L31.7Very low29.5Very low176 Ų176149.3 Ų149.392%0.92181%0.812SS**  trans-154.1123.9156.6-115.6165.4000108.8
253C29.5Very low29.4Very low117 Ų117144.4 Ų144.479%0.79180%0.798SS**  trans-83.2151.9-164.2-62.40000113.6P255C253-P255 WeakPolarHBondContact O-CD 3.44Å
254I26.4Very low29.3Very low142 Ų142146.8 Ų146.873%0.72881%0.806SS**  trans-62.6139.6159.4-62.7162.5000108.8I256I254-I256 HydrophobicContact CG2-CD1 4.24Å; I254-I256 HydrophobicContact CG2-CG1 3.43Å; I254-I256 VanDerWaalsContact CG2-CG1 3.43Å
255P33.4Very low29.3Very low124 Ų124143.9 Ų143.981%0.80580%0.797SS**  trans-124.3129132.134.1-28.4000111.3C253C253-P255 WeakPolarHBondContact O-CD 3.44Å
256I29Very low29.3Very low139 Ų139143.3 Ų143.371%0.71380%0.795SS**  trans-94157.6167.4-37.9-176.4000107.8I254I254-I256 HydrophobicContact CG2-CD1 4.24Å; I254-I256 HydrophobicContact CG2-CG1 3.43Å; I254-I256 VanDerWaalsContact CG2-CG1 3.43Å
257L28.2Very low29.4Very low158 Ų158141 Ų14183%0.82779%0.787SS**  trans72.395.9168.2-50.1178.3000116.7
258R27.4Very low29.5Very low248 Ų248144.4 Ų144.494%0.93680%0.795SS**  -166.3115.2109.5-108.6170.9174.7155.2-1.4113
259S27.9Very low29.6Very low115 Ų115138.7 Ų138.780%0.80478%0.783SS**  trans-104.1149.9138.150.80000107.6
260P33.5Very low29.7Very low125 Ų125136.7 Ų136.781%0.81277%0.773SS**  -133.7164.4115.237.3-28.9000112.7
261S27.4Very low29.9Very low101 Ų101136.2 Ų136.271%0.70677%0.769SS**  trans-114.7162.9-176.948.50000111.8
262L30.4Very low30Very low173 Ų173140.3 Ų140.391%0.90678%0.777SS**  165159.6123.3-90.8160.9000115
263G29.3Very low30.4Very low51 Ų51136.5 Ų136.553%0.52676%0.763SS.*  trans98.8136.3163.400000115.9
264H30.4Very low30.9Very low184 Ų184134.9 Ų134.985%0.85275%0.751SS**  cis-153.5146.8-10.4-78.9-69.3000108.1
265S30.2Very low31.2Very low90 Ų90133.5 Ų133.563%0.62975%0.749SS**  cis106.5100.81180.20000115.9
266H30.2Very low31.1Very low174 Ų174135 Ų13581%0.80675%0.75SS**  trans-127.3121.1160.7-94.6-112.2000107
267L30.3Very low31Very low141 Ų141133 Ų13374%0.73875%0.748SS**  67.5117.581.7-68.9-179.1000111.8
268L32Very low31.6Very low145 Ų145131 Ų13176%0.75975%0.745SS**  cis-128.5-1639.8-93.9167.7000110.3
269D29.9Very low31.7Very low124 Ų124127.7 Ų127.766%0.66374%0.739SS**  cis-153.8-143.315.9-15867000113.6
270N30.7Very low31.9Very low134 Ų134127.2 Ų127.272%0.71774%0.736SS**  trans-106.2164.3-164.9-64.3-70.5000112.9
271A31.2Very low31.8Very low95 Ų95127.3 Ų127.379%0.78574%0.74SS**  cis-156.6-170.2-10.900000109.8
272Q30.9Very low31.8Very low190 Ų190126.2 Ų126.289%0.88875%0.745SS**  trans-91.5149.3-160.9-64.2176.8-98.300117.6
273P40.1Very low31.8Very low96 Ų96124.1 Ų124.162%0.62374%0.743SS**  trans-97.1-161.2171.343.5-39.1000111.9
274P40.9Very low32.5Very low83 Ų83127.3 Ų127.354%0.53976%0.755SS.*  cis-146.4-146.99.444.9-21.2000116.7
275T31.5Very low32.6Very low114 Ų114126.7 Ų126.770%0.69975%0.752SS**  trans74.1160161.3350000119.3
276L30.7Very low32.8Very low155 Ų155126.9 Ų126.981%0.81275%0.753SS**  cis-145.4-154.57.7-134.6175.4000112.6
277S27.7Very low33.6Very low96 Ų96123.7 Ų123.767%0.67175%0.748SS**  trans-152173-174.17.20000111.5
278P42Very low33.6Very low118 Ų118125.1 Ų125.177%0.76675%0.749SS**  cis-139.6-170.3-19.139.7-19.2000116
279E29.3Very low33.4Very low177 Ų177125.4 Ų125.483%0.82775%0.751SS**  trans73.2102.7154.8-58.3-151.113800125.3
280S31.3Very low33.5Very low106 Ų106126.3 Ų126.374%0.74175%0.751SS**  102.2123118.678.60000124.5
281S30.6Very low33.5Very low126 Ų126126.9 Ų126.988%0.88175%0.752SS**  trans80.7137.1145.778.30000122.6
282G29Very low33.3Very low79 Ų79129 Ų12981%0.81475%0.75SS**  trans130.482.9160.200000118.1
283C30.2Very low33.4Very low128 Ų128126.5 Ų126.587%0.86574%0.742SS**  trans-124.9153.2172.2-65.20000112.2
284P42.7Very low32.8Very low119 Ų119126.5 Ų126.577%0.77374%0.744SS**  trans-121.3122.8166.835.3-22.4000115.5
285H33Very low32.4Very low170 Ų170127.8 Ų127.879%0.78776%0.755SS**  trans10.3135.3142.5-64.3-74.3000120.9
286S33.9Very low32.4Very low94 Ų94129.8 Ų129.866%0.65776%0.761SS**  cis86134.937.282.20000116.1
287P46.7Very low32.7Very low108 Ų108128.5 Ų128.570%0.70176%0.762SS**  trans-125.6126.6168.124.3-3.4000116
288F31.3Very low33Very low171 Ų171128.8 Ų128.875%0.7576%0.764SS**  trans61.5147.8155-59.3-71.1000119.1H290F288-H290 AromaticContact CD1-CD2 3.97Å; F288-H290 AromaticContact CD1-NE2 3.91Å; F288-H290 AromaticContact CE1-NE2 3.64Å
289D28.4Very low32.4Very low151 Ų151133.1 Ų133.181%0.80777%0.767SS**  cis-119.4166.521.1-97.1-47.8000117.3
290H30.6Very low32.3Very low143 Ų143130.9 Ų130.966%0.66276%0.756SS**  trans-60.2166.1166-64.5-89000112.7F288F288-H290 AromaticContact CD1-CD2 3.97Å; F288-H290 AromaticContact CD1-NE2 3.91Å; F288-H290 AromaticContact CE1-NE2 3.64Å
291I32.3Very low32.3Very low146 Ų146133.8 Ų133.875%0.74976%0.756SS**  cis-151.5132.719.8-118135.2000105.7
292D26.4Very low32.1Very low139 Ų139131.7 Ų131.774%0.74374%0.741SS**  88.4148.369.3-152.21.5000115
293I32.4Very low32Very low138 Ų138137.6 Ų137.671%0.70874%0.74SS**  trans78.284.6167.8-49.3-178.8000120.1
294S28.9Very low31.9Very low96 Ų96140.9 Ų140.967%0.67174%0.74SS**  50.7134129.771.90000126.4
295S31.8Very low31.3Very low109 Ų109139.6 Ų139.676%0.76273%0.734SS**  trans74.7115.5135.7580000123.2
296D32.1Very low31.1Very low156 Ų156140.3 Ų140.383%0.83474%0.737SS**  trans-53.5167.1147.5-68.5-68.5000113.6
297P36.9Very low30.7Very low129 Ų129142.4 Ų142.484%0.83875%0.746SS**  cis-126.9-167.611.836.6-16.5000115
298S32.7Very low30.3Very low101 Ų101142.4 Ų142.471%0.70675%0.746SS**  trans-104.5163.4-154.960.30000118.2
299Y30.7Very low30.2Very low209 Ų209142 Ų14282%0.8275%0.752SS**  trans75.9137.7173.8-88-111.9000115.9
300E27.2Very low30Very low130 Ų130139.3 Ų139.361%0.60774%0.744SS**  cis-158.8168.77.8-160.2-175-141.100112.5
301K29.5Very low30.2Very low168 Ų168141.3 Ų141.373%0.7376%0.756SS**  trans76147.7161.6-63.5-169.8177.471.60118.6
302S26.5Very low30.3Very low81 Ų81138.1 Ų138.157%0.56675%0.751SS**  cis179.6144.1-24.252.60000110.2
303Y28.5Very low30.6Very low204 Ų204137.4 Ų137.480%0.875%0.747SS**  167.6153.1124.3-103.9-75000114.5
304F28.1Very low30.5Very low197 Ų197135.7 Ų135.786%0.86474%0.739SS**  trans65.7130.9179.8-67.2-83.1000116
305S30Very low30.6Very low92 Ų92134.9 Ų134.964%0.64373%0.73SS**  cis-155.1142.21.454.50000115.1
306Q29.1Very low30.6Very low185 Ų185136.2 Ų136.286%0.86473%0.729SS**  trans71.7108.2149.5-70.3173.7-800121.7
307T25.6Very low30.4Very low137 Ų137136.9 Ų136.984%0.8473%0.725SS**  -121-178.1125.561.60000106.6
308P38.3Very low30Very low108 Ų108137.5 Ų137.570%0.70172%0.716SS**  cis-126.8-169.8-6.743.4-28.1000113.2
309D28.3Very low29.8Very low162 Ų162140.3 Ų140.387%0.86672%0.718SS**  trans-140163.8158.7-137.6-29.4000110.5
310C25.2Very low29.8Very low95 Ų95137 Ų13764%0.64271%0.712SS**  trans-130.5-171.7-160.9-65.40000114.4
311M33.3Very low29.8Very low186 Ų186137.7 Ų137.792%0.91672%0.72SS**  trans80.5155.8170.9-46.9-65.1-178.400116.7
312A34.7Very low29.7Very low78 Ų78135.2 Ų135.265%0.64572%0.724SS**  cis-169.8155.5-3100000111.7
313D32Very low30Very low124 Ų124136.2 Ų136.266%0.66373%0.728SS**  trans58.7115.4136.7-73.128.2000125.8
314N31.6Very low30Very low102 Ų102134.2 Ų134.255%0.54573%0.726SS.*  89.5126.4115.6-77.2-47.7000124.6E537N314-E537 WeakPolarHBondContact CA-OE1 3.47Å
315T31.1Very low29.9Very low79 Ų79130.9 Ų130.949%0.48572%0.717SS.*  trans-36.2144.4152.157.40000116.9E537T315-E537 VanDerWaalsContact CG2-CD 3.46Å; T315-E537 WeakPolarHBondContact CG2-OE1 3.46Å; T315-E537 WeakPolarHBondContact CG2-OE2 3.48Å; T315-E537 PolarHBondContact N-OE1 3.13Å
316N30.5Very low29.9Very low137 Ų137131.8 Ų131.873%0.73371%0.714SS**  -173.2113.7111.4-103.8-74.2000114.7
317K28.2Very low29.9Very low171 Ų171127.6 Ų127.674%0.74371%0.705SS**  43.9141.5121.3-105.7172.1-179.9175.30123.3
318H28.7Very low30.2Very low142 Ų142125.7 Ų125.766%0.65769%0.689SS**  trans92.9127.7145.8-85.6-74.2000121.7
319H29Very low29.8Very low160 Ų160128 Ų12874%0.74168%0.684SS**  trans67.5140.5165.1-63.4-67.5000117.1
320I30.3Very low30.1Very low138 Ų138125 Ų12571%0.70866%0.664SS**  cis-148.8152.913.3-137.3158000112.7
321L27.8Very low30.3Very low146 Ų146124.1 Ų124.176%0.76467%0.672SS**  trans61.9103.3167.1-65.8169.5000120.4
322S27.8Very low30.2Very low116 Ų116121.1 Ų121.181%0.81166%0.664SS**  -104.5157.8113.1-54.20000107
323P32.7Very low29.9Very low101 Ų101122.3 Ų122.366%0.65667%0.667SS**  -149164.577.841.5-23.8000117.1
324E27.6Very low29.8Very low163 Ų163124.4 Ų124.476%0.76268%0.678SS**  trans67.4124.6138.5-79.8-166.2138.900125.4
325L26.6Very low29.6Very low127 Ų127127.3 Ų127.367%0.66569%0.689SS**  trans88.4113.6131.4-67169.2000122.3
326L28.6Very low29.4Very low111 Ų111130.3 Ų130.358%0.58170%0.701SS**  89.6131.8127.8-78.3167.1000122.1D98D98-L326 WeakPolarHBondContact OD2-CD1 3.47Å
327S29.9Very low29.1Very low96 Ų96131.9 Ų131.967%0.67171%0.706SS**  trans81144.3141-69.60000120.8
328L32.4Very low28.9Very low98 Ų98129.1 Ų129.151%0.51371%0.708SS.*  cis-173.7134.2-32.1-126.3165.3000110.5Q330L328-Q330 HydrophobicContact CD2-CG 3.79Å
329R28.9Very low28.8Very low156 Ų156127.9 Ų127.959%0.58972%0.715SS**  trans-174.6127.4139.4-99157.8-156.8-126.71.6107.8N102 K103N102-R329 PolarHBondContact O-NH2 3.07Å; K103-R329 VanDerWaalsContact C-NH2 3.27Å; K103-R329 PolarHBondContact O-NH1 3.34Å; K103-R329 PolarHBondContact O-NH2 3.41Å
330Q34.7Very low28.7Very low99 Ų99127 Ų12746%0.46372%0.715SS.*  66.9144.252.6-63.6174.1-14.700112L328L328-Q330 HydrophobicContact CD2-CG 3.79Å
331G30.3Very low28.7Very low77 Ų77126 Ų12679%0.79471%0.711SS**  cis-88.5-171.721.600000119.4
332T31.1Very low28.6Very low122 Ų122124.9 Ų124.975%0.74871%0.706SS**  trans-140.2166.3-164.147.80000113.1
333S29.2Very low28.7Very low103 Ų103127.5 Ų127.572%0.7271%0.711SS**  trans-34158.1169.253.60000119.5
334D28.6Very low28.4Very low168 Ų168128 Ų12890%0.89871%0.708SS**  trans-134.9165139-117.3-31.1000109.8
335E27.6Very low28.7Very low164 Ų164125.7 Ų125.777%0.76671%0.709SS**  trans-105.5171.9-157.5-61-16995.500118
336L26.4Very low28.8Very low142 Ų142126.1 Ų126.174%0.74371%0.712SS**  trans62.3101.5146-77.4160.3000120.2
337M25.5Very low28.8Very low169 Ų169128.3 Ų128.383%0.83373%0.725SS**  -175.6113.5109.4-100.3-67.6-178.900111.6
338S24.2Very low28.9Very low113 Ų113131 Ų13179%0.7973%0.73SS**  trans-112.5106.1167.648.60000110.3
339C26.4Very low28.7Very low117 Ų117133.3 Ų133.379%0.79174%0.743SS**  trans-137.9105.4172.2-85.70000108.7
340N27.5Very low29.1Very low141 Ų141131.2 Ų131.275%0.75475%0.75SS**  trans-82.1147.3-173.4-107.656000113.1
341D28.6Very low28.6Very low116 Ų116134.6 Ų134.662%0.6277%0.77SS**  trans72.996.7145.1-63.4-43.2000121.2
342N26.5Very low28.5Very low123 Ų123139 Ų13966%0.65877%0.772SS**  77.496.1118.6-58.7-40.4000120.2L344N342-L344 HydrophobicContact CB-CD1 4.47Å
343D29Very low28.4Very low172 Ų172137.4 Ų137.492%0.9277%0.766SS**  trans-118.5118.4131.6-106.1-43.5000109.1S345D343-S345 PolarHBondContact O-N 3.2Å
344L28.3Very low28.4Very low111 Ų111139.1 Ų139.158%0.58177%0.772SS**  trans-79.8117.5176.3-83.481.4000109.9N342N342-L344 HydrophobicContact CB-CD1 4.47Å
345S32.6Very low28.6Very low114 Ų114136.4 Ų136.480%0.79776%0.763SS**  trans-104.4121.8154.865.60000109.2D343 N347D343-S345 PolarHBondContact O-N 3.2Å; S345-N347 PolarHBondContact O-N 3.33Å
346N29Very low28.7Very low136 Ų136137.4 Ų137.473%0.72777%0.768SS**  trans-78117.9176.6-68.3-13.6000109.1
347N28.1Very low28.9Very low158 Ų158135.9 Ų135.985%0.84576%0.764SS**  trans-149114.9152.6-90.1-33.9000107.4S345S345-N347 PolarHBondContact O-N 3.33Å
348I31.4Very low29Very low153 Ų153135.9 Ų135.979%0.78577%0.767SS**  trans-131157.4170.6-65.9179.8000105.7
349D28.3Very low29.3Very low145 Ų145136.1 Ų136.178%0.77576%0.764SS**  trans91.5133.7-178-57.4-35.3000116
350P37.1Very low29.5Very low113 Ų113135.1 Ų135.173%0.73476%0.758SS**  -134.5170.9-68.520.70.9000113.9
351L25.8Very low29.5Very low170 Ų170136.4 Ų136.489%0.8977%0.766SS**  trans-83125.5168.3-82.5164.3000111.8
352M27.9Very low29.3Very low169 Ų169140.2 Ų140.283%0.83378%0.777SS**  trans-123.9107.2154.3-73.3-75.1-178.400105.4
353S28.1Very low29.5Very low88 Ų88141.6 Ų141.662%0.61578%0.783SS**  7811565.3790000113.1
354T30.2Very low29.5Very low139 Ų139137.6 Ų137.685%0.85377%0.768SS**  trans-136.4113.6164.850.40000107.8
355P32.2Very low29.5Very low111 Ų111137.3 Ų137.372%0.72178%0.776SS**  trans-91.4142.7-175.834.3-33.4000112.8
356H30.3Very low29.2Very low186 Ų186140.2 Ų140.286%0.86178%0.782SS**  trans-132.8107.9145.4-90.3-86.6000105.9
357V31.1Very low29.1Very low109 Ų109141 Ų14166%0.66179%0.787SS**  57.786.185.5-176.80000111.1
358N27.5Very low29.6Very low169 Ų169138 Ų13890%0.90478%0.776SS**  trans-144.7102.8139-106.4-19.6000107.2
359T30.6Very low29.5Very low119 Ų119141.2 Ų141.273%0.7378%0.779SS**  trans-90.2168177.943.70000111.4
360S29.6Very low29.7Very low95 Ų95139.6 Ų139.666%0.66478%0.775SS**  trans55.299.7164.155.50000117.1
361N27.5Very low29.4Very low169 Ų169138.7 Ų138.790%0.90477%0.771SS**  -123.9120.2114.6-111.4-26.1000108.6
362F25.1Very low29.5Very low196 Ų196137.7 Ų137.786%0.8677%0.767SS**  trans-111110.8-179-124-82.6000107.1
363I30.5Very low29.6Very low151 Ų151134.7 Ų134.777%0.77476%0.763SS**  trans-133.4123.5163.4-66.8-172.5000108.7
364S29.2Very low29.6Very low89 Ų89138.5 Ų138.562%0.62278%0.776SS**  trans-14.5124.5162.949.90000116
365S28.2Very low29.5Very low105 Ų105140.4 Ų140.473%0.73478%0.775SS**  58.4107.269.580.30000114
366N25.5Very low29.4Very low175 Ų175143.7 Ų143.794%0.93678%0.781SS**  trans-112.7115161.2-97.4-10.6000109.5
367N26.5Very low29.3Very low153 Ų153142.9 Ų142.982%0.81878%0.782SS**  trans-160.4157.4176.3-135.410.9000104.8
368P39.6Very low29.1Very low95 Ų95145.6 Ų145.662%0.61779%0.793SS**  cis-129.6-173.7-23.940.5-25000111.9
369Y29.2Very low29.3Very low220 Ų220146.4 Ų146.486%0.86379%0.793SS**  trans-126.9116.6148-92-105.1000105.1
370T31.2Very low29.4Very low110 Ų110144.4 Ų144.468%0.67579%0.789SS**  52.2129.69366.20000113.6
371S31.2Very low29.3Very low95 Ų95147.1 Ų147.166%0.66480%0.796SS**  cis-169.315712.446.70000114.1
372N28Very low29.3Very low148 Ų148144 Ų14479%0.79179%0.786SS**  trans77.6142.3148.6-64.3-7.3000121.6
373S30.8Very low29.6Very low107 Ų107139.5 Ų139.575%0.74878%0.779SS**  trans51.8104.4151.557.30000119.9
374D27Very low29.5Very low167 Ų167137 Ų13789%0.89378%0.775SS**  trans-132.6115132-92.5-43.5000108.7
375H28.3Very low29.4Very low180 Ų180138.8 Ų138.883%0.83379%0.786SS**  trans-158.8122.7173.3-157.135.2000106.5
376Q30.5Very low29.6Very low180 Ų180140.1 Ų140.184%0.84179%0.789SS**  trans69.3110.6-153.6-48.7169.4-39.100109.5
377D28.8Very low29.9Very low168 Ų168137.2 Ų137.290%0.89877%0.772SS**  cis-114.6148.833.6-84.3-46.7000117.1
378L26.1Very low30Very low167 Ų167135.7 Ų135.787%0.87476%0.759SS**  trans-148.979.2169.2-171.5111.4000111.8
379M31.1Very low29.6Very low185 Ų185141.5 Ų141.591%0.91177%0.77SS**  trans-150138.9164.7-79.8-70.5-160.300106.9
380A33.6Very low29.6Very low77 Ų77135.4 Ų135.464%0.63676%0.76SS**  cis-152.7156.5-1800000105.7
381N27.6Very low29.6Very low152 Ų152136.4 Ų136.481%0.81377%0.766SS**  48.5138.660.9-83.3-18.7000113.1
382C28.1Very low29.7Very low105 Ų105137.1 Ų137.171%0.70977%0.771SS**  cis-152.9-151.8-0.4-134.60000107.2
383S30.5Very low30Very low101 Ų101138.1 Ų138.171%0.70677%0.771SS**  cis-157.6156.811-127.30000106.5
384S28.4Very low30.1Very low99 Ų99139.1 Ų139.169%0.69277%0.768SS**  cis67.8146.742.5-154.60000114.7
385C27Very low30.4Very low125 Ų125136 Ų13685%0.84576%0.758SS**  trans-144.7145.9-172.8-760000111.9
386V33.1Very low30.7Very low134 Ų134134.9 Ų134.981%0.81275%0.754SS**  trans-144107.3179.7-1770000112.9
387M31.5Very low30.8Very low114 Ų114134.3 Ų134.356%0.56275%0.751SS**  trans37.3126.8143.6-56.4-57.5-109.200125.2
388H28.7Very low30.9Very low120 Ų120132.5 Ų132.556%0.55674%0.737SS**  trans61.9127143.1-60.6-51.5000121.4
389Y30.3Very low31.2Very low217 Ų217131.7 Ų131.785%0.85173%0.732SS**  -164.4128.269.2-117.4-91.5000115.6
390S30.1Very low31.3Very low93 Ų93128.7 Ų128.765%0.6572%0.719SS**  trans46.1148.6142.9-540000127.7
391T31.5Very low31.5Very low130 Ų130130.7 Ų130.780%0.79873%0.725SS**  trans70.8120.716348.40000118.6
392S33.2Very low31.5Very low111 Ų111129.7 Ų129.778%0.77673%0.725SS**  91.6137.155.6-64.20000111.8
393E33Very low31.4Very low168 Ų168132.5 Ų132.579%0.78573%0.733SS**  cis-148.3160.424.4-71.2-172.9135.500114.9
394L34.2Very low31.5Very low129 Ų129134.4 Ų134.468%0.67574%0.74SS**  trans59.6146144.6-70.9166.7000120.8E396L394-E396 HydrophobicContact CD2-CG 4.02Å
395S32.9Very low31.3Very low100 Ų100134.8 Ų134.870%0.69974%0.741SS**  cis-164.9155.96.944.30000109.5
396E34.1Very low31.5Very low158 Ų158136.5 Ų136.574%0.73874%0.742SS**  cis-165.6-148.5-10.8-112178.6102.100108L394L394-E396 HydrophobicContact CD2-CG 4.02Å
397H32.2Very low31.2Very low168 Ų168140.1 Ų140.178%0.77875%0.747SS**  trans66.9-157.9172.7-68.9-82.5000115.5
398E31.4Very low31Very low129 Ų129144.5 Ų144.560%0.60376%0.759SS**  -144.6172.2-98.1-97.9-179.186.800109.7L400E398-L400 HydrophobicContact CG-CD1 4.2Å; E398-L400 HydrophobicContact CG-CG 4.26Å; E398-L400 WeakPolarHBondContact OE1-CD1 3.48Å
399I33.8Very low31.1Very low150 Ų150146.9 Ų146.977%0.76977%0.767SS**  cis-113.7116.25.6-64.1173.7000106.5
400L32.3Very low31Very low123 Ų123142.4 Ų142.464%0.64476%0.763SS**  51.9148.396.7-76.3173.8000116.5E398E398-L400 HydrophobicContact CG-CD1 4.2Å; E398-L400 HydrophobicContact CG-CG 4.26Å; E398-L400 WeakPolarHBondContact OE1-CD1 3.48Å
401P36.9Very low30.9Very low118 Ų118143 Ų14377%0.76677%0.767SS**  cis-121.1167.4-0.338.7-24.7000114.9
402T28.3Very low30.7Very low132 Ų132144 Ų14481%0.8177%0.767SS**  trans-120.6158.5175.3470000111.9
403N26.9Very low30.6Very low164 Ų164143.4 Ų143.488%0.87776%0.762SS**  trans-100.3133.7175.2-79.4-33.1000111.4
404V31.3Very low30.5Very low141 Ų141141.3 Ų141.386%0.85576%0.761SS**  trans-139.7147.4159-178.10000108.2
405C25.5Very low30.4Very low106 Ų106141 Ų14172%0.71677%0.77SS**  trans-100.3179.6-171.6-68.30000114.5
406D29.5Very low30.4Very low161 Ų161141.6 Ų141.686%0.86177%0.774SS**  trans84.1123.7157.7-60.7-19.8000119.9
407K27.7Very low30.2Very low211 Ų211138.8 Ų138.892%0.91778%0.778SS**  trans-145131.7168.4-155.8171.6-171.7175.20109.7
408Y28Very low30Very low205 Ų205139.9 Ų139.980%0.80478%0.783SS**  trans-100.9155.7-175-115.3-94.4000111.9
409K29.4Very low30Very low171 Ų171140.8 Ų140.874%0.74380%0.798SS**  trans54.1114.3159.8-77.1156.8177.9178.10117.7
410T28.3Very low29.6Very low123 Ų123138.5 Ų138.576%0.75580%0.795SS**  62.5114.664.272.60000116.4
411S27.7Very low29.4Very low105 Ų105140.1 Ų140.173%0.73480%0.803SS**  151.5156.999.262.50000116.4
412L29.3Very low29Very low152 Ų152139.7 Ų139.780%0.79680%0.799SS**  trans81.5120.6156.2-10070.8000123.6
413S29.3Very low29.2Very low98 Ų98139 Ų13969%0.68580%0.799SS**  trans72.7145.5135.7670000121.7
414T30.7Very low29.3Very low124 Ų124137.6 Ų137.676%0.76179%0.792SS**  cis-168.9153.5-23.727.50000109.8
415S32.4Very low29.1Very low122 Ų122137.9 Ų137.985%0.85379%0.788SS**  trans67.4147.2163.576.90000117
416S33Very low29.5Very low113 Ų113141 Ų14179%0.7980%0.797SS**SBendcis-152150.2-0.756.80000109.5
417A30.6Very low29.5Very low99 Ų99138.9 Ų138.982%0.81879%0.793SS**  cis-145.1154.21.200000110.8
418E27.4Very low29.8Very low191 Ų191134.7 Ų134.789%0.89379%0.785SS**  trans-107.3144.8173.5-57.7169.411200110.4
419T32.2Very low30Very low147 Ų147129.6 Ų129.690%0.90277%0.772SS**  trans-144.3111.3145.348.80000109.5
420S25Very low30.5Very low103 Ų103124.1 Ų124.172%0.7275%0.749SS**  trans-79156.7161.753.10000110.4
421L28.4Very low30.8Very low156 Ų156121.6 Ų121.682%0.81773%0.733SS**  trans156.1140.5132.8-83.6161.2000113.9
422V29.2Very low31.2Very low110 Ų110123.2 Ų123.267%0.66773%0.729SS**  trans58.8120.8146.91780000120.6N424V422-N424 HydrophobicContact CG1-CB 4.37Å
423S30.7Very low31.5Very low116 Ų116121 Ų12181%0.81172%0.722SS**  trans-178.5128.5130.1-76.90000107
424N29.2Very low31.7Very low136 Ų136125.2 Ų125.273%0.72773%0.728SS**  cis71.5119.614.4-11914.3000116V422V422-N424 HydrophobicContact CG1-CB 4.37Å
425N27.9Very low31.6Very low146 Ų146125.5 Ų125.578%0.78173%0.73SS**  trans-23.2127.4177.2-47.9-42000118.1
426L33.3Very low31.5Very low172 Ų172127.7 Ų127.790%0.90173%0.727SS**  -165.9172.4112.3-130.165.4000112.8
427C29.6Very low31.5Very low116 Ų116130.8 Ų130.878%0.78473%0.729SS**  trans-95.6157.1-171.6-53.20000114.2
428V33.7Very low31.4Very low123 Ų123130.8 Ų130.875%0.74572%0.723SS**  trans162.793.3139.8154.10000104.6
429N33.1Very low31.6Very low98 Ų98128.9 Ų128.952%0.52472%0.717SS.*  72.7133.6101.6-76.5-0.1000113L165L165-N429 VanDerWaalsContact CD2-O 3.29Å; L165-N429 WeakPolarHBondContact CD2-O 3.43Å
430Q39.1Very low31.5Very low56 Ų56129 Ų12926%0.26271%0.708SS.*  cis-161.5166.90.1-128.5166.6-23.300114.9D166 C167D166-Q430 CarbonylContact C-O 3.35Å; D166-Q430 WeakPolarHBondContact CA-O 3.14Å; D166-Q430 PolarHBondContact OD1-N 3.4Å; C167-Q430 PolarHBondContact N-O 3.48Å
431V35Very low31.5Very low70 Ų70130.7 Ų130.742%0.42471%0.708SS.*  trans73.8128.5153.4160.90000121.1C167C167-V431 VanDerWaalsContact C-CB 3.49Å; C167-V431 WeakPolarHBondContact O-CG1 3.46Å
432E36Very low31.6Very low139 Ų139131.3 Ų131.365%0.6571%0.707SS**  cis-159.2-83.2-28-137.3-164.4-12800116.3
433T36.3Very low31.6Very low106 Ų106134 Ų13465%0.6571%0.71SS**  trans-138.1150-143.935.60000116.2
434F32.9Very low31.6Very low186 Ų186135.1 Ų135.182%0.81671%0.706SS**  cis-167.9170.4-25.1-138-113.7000108.8
435T28.9Very low31.6Very low131 Ų131135.6 Ų135.680%0.80471%0.713SS**  trans-114.4163.817042.80000112.6
436Q30.6Very low31.7Very low168 Ų168136.1 Ų136.179%0.78571%0.709SS**  trans-85.3168.9-176-66.8-170.7-18.500114.6
437Q32.7Very low31.5Very low178 Ų178133.5 Ų133.583%0.83270%0.695SS**  trans81143.5160.2-56.3-171.615.100116.6
438S29.3Very low31.4Very low98 Ų98134 Ų13469%0.68569%0.694SS**  cis-173158.7-15.6175.80000108.4
439I29.7Very low31.3Very low152 Ų152134.7 Ų134.778%0.77969%0.693SS**  trans-174.2120.7140.5-97.8152.7000113
440Q30.2Very low31.1Very low150 Ų150138.3 Ų138.370%0.70171%0.713SS**  trans41124.8148.9-64.1-176.3-55.700124.8
441N25.6Very low30.6Very low137 Ų137145.8 Ų145.873%0.73374%0.738SS**  trans67.3106.3130.8-56.9-10000120.9
442Q30.3Very low30.8Very low169 Ų169146.6 Ų146.679%0.7975%0.745SS**  178.6173.497.8-95.6-171.1-2.500113.1
443F30Very low30.5Very low166 Ų166147.3 Ų147.373%0.72875%0.754SS**  trans63.7105.6163.1-77.5-72000122.1
444I29.3Very low30.2Very low141 Ų141145.7 Ų145.772%0.72375%0.751SS**  35.6109.4129.7-54.8180000117.4
445V30.3Very low29.9Very low145 Ų145142 Ų14288%0.87975%0.748SS**  trans-68.4136.3164.4176.20000110.6
446K30.9Very low30.2Very low158 Ų158141.3 Ų141.369%0.68774%0.743SS**  trans-139.1158.7167.9-134.9-177.1158-105.20110.3
447D27.7Very low30.2Very low116 Ų116139.6 Ų139.662%0.6274%0.74SS**  trans5969.9156.3-51.6-27.1000117.6
448V28.8Very low30Very low126 Ų126138 Ų13876%0.76474%0.737SS**  27.5129.8109.8177.50000117.9
449L30.2Very low30Very low138 Ų138140.9 Ų140.972%0.72374%0.744SS**  trans70.2111.1165-72.6165.6000118.6R451L449-R451 HydrophobicContact CD2-CB 4.47Å
450N29.3Very low30.2Very low174 Ų174139.6 Ų139.693%0.9375%0.748SS**  -143.5105113.8-119.3-18.1000112.9
451R27.8Very low30.2Very low213 Ų213138.9 Ų138.980%0.80475%0.749SS**  trans-117.6174.8161.8-127.5-170.7-171.3-168.64.9103.8L449L449-R451 HydrophobicContact CD2-CB 4.47Å
452P40.8Very low30.3Very low88 Ų88141 Ų14157%0.57175%0.753SS**  cis-145.7-161.6-5.236.2-12.3000114
453N28.3Very low30.3Very low154 Ų154139.7 Ų139.782%0.82475%0.746SS**  trans70.5153.7136.2-75-1.6000122.3
454A30.2Very low30.1Very low71 Ų71137.4 Ų137.459%0.58775%0.749SS**  cis-170.2154.6-19.700000113.9
455S27.7Very low30.2Very low110 Ų110136.4 Ų136.477%0.76974%0.744SS**  trans66.7163.2148.4690000117.1
456V33.5Very low30.5Very low115 Ų115137 Ų13770%0.69774%0.741SS**  cis-139.9139.619.9-1800000112.2
457N31.8Very low30.8Very low132 Ų132134.1 Ų134.171%0.70674%0.736SS**  trans23.5120.8155.8-49.9-16.3000123.4
458N28.7Very low31Very low144 Ų144135.1 Ų135.177%0.7774%0.742SS**  67.4144.9122.4-62.8-9.3000124.1
459L29.3Very low31.4Very low159 Ų159134.4 Ų134.483%0.83274%0.738SS**  trans68.596.3153.1-70.2158.9000119.1
460S33.5Very low31.6Very low125 Ų125138.1 Ų138.187%0.87474%0.742SS**  -172.3161.9110.632.60000113.1
461D30.9Very low31.7Very low136 Ų136133.9 Ų133.973%0.72773%0.727SS**  trans-100.4143.1-160.4-80.9-56.3000115.7
462F26.7Very low32.2Very low182 Ų182129.6 Ų129.680%0.79872%0.724SS**  trans71.3169.1137.7-87.8-100.2000123.8
463Q29.9Very low32.1Very low141 Ų141130.6 Ų130.666%0.65973%0.73SS**  trans68.5105.7174.9-105.260.1-25.700117.2I465Q463-I465 HydrophobicContact CG-CG1 4.48Å
464C26.6Very low32.4Very low117 Ų117130.4 Ų130.479%0.79173%0.729SS**  cis87.8178.724.8-153.40000115.1
465I32.2Very low32.7Very low121 Ų121132.5 Ų132.562%0.62173%0.734SS**  trans66.7140-176.3-12.4-177.3000112Q463 T467Q463-I465 HydrophobicContact CG-CG1 4.48Å; I465-T467 HydrophobicContact CG2-CG2 3.63Å
466I35.5Very low33.2Very low158 Ų158133.3 Ų133.381%0.8174%0.737SS**SBendcis-133.9135.418.4-67.9161000109.7
467T37.3Very low33.2Very low96 Ų96132.4 Ų132.459%0.58974%0.736SS**  cis-147-136.9-22.132.20000104.8I465I465-T467 HydrophobicContact CG2-CG2 3.63Å
468N32.4Very low33.3Very low137 Ų137130.9 Ų130.973%0.73374%0.736SS**  cis-164.6153.9-7.7-133.8-22.5000105.8
469T36.8Very low33.5Very low111 Ų111129.8 Ų129.868%0.68173%0.734SS**  cis-133-168.98.460.80000108.1
470R33.6Very low33.3Very low216 Ų216127.6 Ų127.682%0.81573%0.731SS**  cis-156.5171.26.4-146.9-168.1170.7118.9-0.1111
471S33Very low33.3Very low86 Ų86127.8 Ų127.860%0.60173%0.726SS**  trans-52.9136.7158.955.60000114
472V36.8Very low33.2Very low122 Ų122128 Ų12874%0.73973%0.728SS**  cis-153.5142.5-13.5-151.90000108.4
473P40.1Very low33.5Very low110 Ų110126.6 Ų126.671%0.71472%0.724SS**  trans-81159.6161.134.4-35.8000111.8
474N34.4Very low33.6Very low150 Ų150126.5 Ų126.580%0.80272%0.721SS**  trans-162.3138167.9-114.6-17.5000116.6
475V37Very low34.1Very low114 Ų114127.6 Ų127.669%0.69171%0.714SS**  trans50.4128.7150.1-172.70000122.1
476P38.3Very low34.1Very low127 Ų127128.6 Ų128.683%0.82572%0.721SS**  trans-128.3118.8151.535.2-20.1000114.3
477S33Very low33.9Very low97 Ų97124.9 Ų124.968%0.67872%0.722SS**  trans-168.8126.7160.458.50000116.3
478S34.5Very low33.7Very low100 Ų100124.5 Ų124.570%0.69973%0.728SS**  trans61.1134.5140.260.60000125.1
479T31.8Very low33.6Very low120 Ų120125.3 Ų125.374%0.73673%0.732SS**  trans78.5112.6140.345.80000123.6
480C25.6Very low33.4Very low113 Ų113128.8 Ų128.876%0.76474%0.737SS**  trans64.1126.3131.6-56.60000121.8
481V32.4Very low33.5Very low129 Ų129124.6 Ų124.678%0.78274%0.735SS**  -177129.699.2152.30000111.2
482D29.1Very low33.7Very low142 Ų142126.2 Ų126.276%0.75974%0.744SS**  trans21.3169.1155.8-63.7-74.8000127.1
483E33Very low33.3Very low152 Ų152125.3 Ų125.371%0.7174%0.743SS**  trans87.8133.5160.2-55.3-142.2148.700119.1
484K32.4Very low32.9Very low138 Ų138126.6 Ų126.660%0.675%0.748SS**  cis-171.5160-21.6-124.4166.4-168.5166.30110.7
485H37Very low32.7Very low141 Ų141125 Ų12565%0.65374%0.744SS**  trans64.7161.3151.1-66.9-33.7000120.2
486N31.5Very low32.3Very low142 Ų142126.3 Ų126.376%0.75975%0.747SS**  cis-164.4135.9-35.5-1099.3000109.8
487G32.7Very low32Very low80 Ų80125.4 Ų125.483%0.82574%0.739SS**  trans69.7-178.3153.100000118.2
488A31.7Very low32Very low87 Ų87127.9 Ų127.972%0.71974%0.743SS**  cis-163.8155.4-15.400000112.5
489L31.4Very low31.8Very low155 Ų155128.4 Ų128.481%0.81275%0.745SS**  trans72.4144.8145.7-76.8161.4000122.6
490K33.1Very low31.6Very low184 Ų184128.8 Ų128.880%0.875%0.748SS**  trans77.4104.3149.2-74.9169.9-179.8-179.80121.4
491V33.7Very low32.3Very low127 Ų127128.4 Ų128.477%0.7774%0.744SS**  trans-63.8155.8131.5-134.40000109.3
492P37.7Very low32.3Very low121 Ų121129 Ų12979%0.78674%0.743SS**  -144.1175.183.439.9-23.2000116.2
493S29Very low32.4Very low103 Ų103129 Ų12972%0.7274%0.743SS**  trans-73.8-165.7-176.4-35.70000115.4
494V31.1Very low32.5Very low136 Ų136127.8 Ų127.882%0.82475%0.745SS**  trans97.4132.9161.7-178.40000115
495V30Very low32.4Very low116 Ų116131.6 Ų131.670%0.70376%0.756SS**  cis-166.2-169.7-3193.30000108.2
496N29.4Very low32.1Very low143 Ų143134.5 Ų134.577%0.76577%0.766SS**  trans84.6135.4171.7-70.4-19.1000116.2
497V32.9Very low31.8Very low108 Ų108136.4 Ų136.466%0.65577%0.771SS**  cis-160.5143-0.498.40000113
498I31.9Very low32Very low148 Ų148137.4 Ų137.476%0.75976%0.763SS**  trans60.6133.7154.2-68.7165.9000118.5
499C31.1Very low31.7Very low111 Ų111140.3 Ų140.375%0.7576%0.764SS**  cis-159.4173.4-7.3-115.60000113.1
500T26.9Very low31.6Very low128 Ų128142.2 Ų142.279%0.78577%0.765SS**  trans-141.8-176.2168.260.50000108.2
501P40.7Very low31.4Very low105 Ų105138.8 Ų138.868%0.68277%0.765SS**  cis-124.7-170.2-3335.3-17.3000112
502N31.7Very low31.1Very low143 Ų143137.8 Ų137.877%0.76576%0.764SS**  -175.5158123.1-93-7000113.8
503D31.4Very low30.8Very low141 Ų141140.8 Ų140.875%0.75476%0.764SS**  trans-14.2150.4177.1-59.7-70.2000120.9
504V34.3Very low30.9Very low126 Ų126140.9 Ų140.976%0.76477%0.765SS**  cis-151.6137.445.7169.40000114.5
505R31.9Very low30.9Very low218 Ų218140.9 Ų140.982%0.82376%0.76SS**  trans17.4122.4152.1-57.9175.9179.9-179.20.6123.1
506K30.1Very low30.9Very low202 Ų202143.5 Ų143.588%0.87877%0.77SS**  67.1135.7127.9-63.4-172.3176.3-171.50122.6
507Q25.4Very low30.8Very low182 Ų182142.8 Ų142.885%0.8577%0.774SS**  trans-103.9-170.7161.4-64.1-169.9-6.800110.5
508P37.7Very low30.7Very low102 Ų102147 Ų14766%0.66279%0.787SS**  -132.8-168.3-52.231.5-11.8000113.8
509M25.4Very low30.6Very low148 Ų148150.8 Ų150.873%0.72979%0.792SS**  trans100.2129.7152.5-67.9-70.3-174.400121.4
510F27.6Very low30.6Very low194 Ų194151.2 Ų151.285%0.85179%0.79SS**  trans56.8144.8162.5-61.2-64.6000118.3
511S28.7Very low30.7Very low113 Ų113152 Ų15279%0.7979%0.789SS**  cis-152.5-178.51658.10000113.6
512S28.5Very low30.3Very low106 Ų106152 Ų15274%0.74179%0.792SS**  trans-69155.1-174.355.80000117.7
513K30.8Very low30.2Very low183 Ų183151.2 Ų151.280%0.79679%0.793SS**  -168.1163.2118.9-114.9-171.9169.7-146.90114.7D515K513-D515 IonicContact NZ-OD2 3.3Å; K513-D515 PolarHBondContact NZ-OD2 2.83Å
514S31.7Very low30.3Very low105 Ų105151.3 Ų151.373%0.73480%0.798SS**  trans-124.7146.6166.456.20000108.5
515D30.6Very low30Very low137 Ų137148.7 Ų148.773%0.73380%0.797SS**  trans-152.2168.6165.2-92.7-52.5000110.9K513K513-D515 IonicContact NZ-OD2 3.3Å; K513-D515 PolarHBondContact NZ-OD2 2.83Å
516L30.9Very low29.9Very low171 Ų171141.3 Ų141.390%0.89579%0.789SS**  trans-97.3179.4-165.2-10978.1000115.1
517C25.8Very low29.9Very low128 Ų128139.2 Ų139.287%0.86579%0.787SS**  trans-62.5149.9-177.1-47.70000115.5
518E31.7Very low29.9Very low195 Ų195140.9 Ų140.991%0.91179%0.787SS**  trans-127.2166.3154.2-164159.7-131.200109.3
519R29.1Very low29.5Very low229 Ų229144 Ų14486%0.86479%0.793SS**  trans-156.9160.9-170.5-169.2-176.8-176.4178.62.7109.8
520V32Very low29.7Very low120 Ų120146.1 Ų146.173%0.72780%0.801SS**  trans78.7126.5175.3-171.80000111.2
521D28.4Very low29.5Very low143 Ų143144.1 Ų144.177%0.76580%0.799SS**  cis-140.7167.3-4.8-102-21.9000107.7
522S33.2Very low29.6Very low106 Ų106148 Ų14874%0.74180%0.802SS**  cis-158.5169.546.9-56.80000113.9
523T29.7Very low29.6Very low127 Ų127148.2 Ų148.278%0.77980%0.803SS**  trans-25.5153.3160.9570000117.4
524V32.1Very low29.6Very low142 Ų142144.4 Ų144.486%0.86180%0.799SS**  cis-155.415043.21720000111.8
525G29.2Very low29.5Very low71 Ų71149.2 Ų149.273%0.73281%0.808SS**  trans107.2110.5140.600000119.7
526G29.2Very low29.7Very low64 Ų64147.6 Ų147.666%0.6681%0.805SS**  trans-83.9-164.915000000111
527N29.6Very low29.7Very low158 Ų158144.6 Ų144.685%0.84579%0.786SS**  cis-157.4178.427-66.4-49000110.8
528Y26.5Very low30Very low216 Ų216145 Ų14585%0.84778%0.775SS**  trans-141.3105.7152.5-120-81.8000111.8
529H28.4Very low29.9Very low169 Ų169141.4 Ų141.478%0.78276%0.761SS**  trans147.7107.7143-87.8-66.1000112.5
530Q30Very low30.2Very low191 Ų191137.3 Ų137.389%0.89375%0.754SS**  -176.9132.3112.2-99.3179.612.600110.2
531D24.1Very low30.1Very low153 Ų153138.4 Ų138.482%0.81876%0.756SS**  trans-83.9131.7166.3-71.5-69.9000110.7
532K30Very low30.4Very low194 Ų194137.7 Ų137.784%0.84376%0.757SS**  trans-180130.5130.5-100.8162.3-175.6-178.60112
533S28.9Very low30.2Very low110 Ų110139.4 Ų139.477%0.76976%0.758SS**  trans28.7130148.258.10000119.1
534S31.1Very low30.8Very low103 Ų103138.6 Ų138.672%0.7276%0.755SS**  cis-168.3133.249.753.40000116
535F29Very low30.9Very low207 Ų207139.9 Ų139.991%0.90875%0.751SS**  trans50.7153.6144.1-76.7-91.4000124.2
536P34.9Very low30.9Very low103 Ų103141 Ų14167%0.66975%0.748SS**  trans-121.4175-176.844-31.2000115.5
537E30Very low30.9Very low107 Ų107144.1 Ų144.150%0.575%0.754SS.*  trans-128.5132154.2-70.6178.491.600107.7N314 T315N314-E537 WeakPolarHBondContact CA-OE1 3.47Å; T315-E537 VanDerWaalsContact CG2-CD 3.46Å; T315-E537 WeakPolarHBondContact CG2-OE1 3.46Å; T315-E537 WeakPolarHBondContact CG2-OE2 3.48Å; T315-E537 PolarHBondContact N-OE1 3.13Å
538Q33Very low30.9Very low137 Ų137144.3 Ų144.364%0.6475%0.754SS**  cis78.2136.748-71-157.6-1200113.6
539I30.6Very low31.1Very low120 Ų120139.6 Ų139.662%0.61575%0.751SS**  cis-141.4159-14.5-84.4145.5000105.6
540I33.8Very low31.1Very low142 Ų142140.5 Ų140.573%0.72876%0.755SS**  171.7107.3107.2-77.4164.3000108
541N31Very low31.2Very low144 Ų144139 Ų13977%0.7775%0.753SS**  156.5132.4109.6-110.9-15.7000115
542V35Very low32Very low127 Ų127136.3 Ų136.377%0.7774%0.744SS**  trans60.393.7148.6-171.90000119.1
543D28.8Very low32.1Very low142 Ų142135.9 Ų135.976%0.75974%0.742SS**  trans-58.1167.3148.6-112.4-44000111.9
544P42.1Very low32.3Very low111 Ų111135.5 Ų135.572%0.72173%0.73SS**  cis-153.7170.84347.4-27.1000120.5
545Q32.8Very low32.9Very low169 Ų169137 Ų13779%0.7974%0.738SS**  trans79.176152.2-49.1-142.4-22.500121.6
546S30.3Very low33Very low93 Ų93133.9 Ų133.965%0.6573%0.73SS**  47.8120.3111.665.70000123.6
547T29.6Very low32.7Very low131 Ų131136.3 Ų136.380%0.80474%0.737SS**  trans68.4124.8131.857.80000123.2
548I29.4Very low32.5Very low162 Ų162140.7 Ų140.783%0.83175%0.749SS**  trans-164.4163.9133.4-106161.3000109.2
549C29.5Very low32.3Very low116 Ų116142.3 Ų142.378%0.78475%0.754SS**  trans77.9138.4-177.1-65.20000115.8
550E30Very low32.4Very low188 Ų188142.4 Ų142.488%0.87976%0.76SS**  cis-124.4-179.86.8-72.7-164.3133.900114.8
551L30.4Very low32.2Very low161 Ų161140.9 Ų140.984%0.84376%0.758SS**  trans-137.3-170.1-172.8-80166000108.6
552P42Very low32.2Very low96 Ų96141.4 Ų141.462%0.62376%0.76SS**  -128.1-162.5-58.939.4-24.1000110.5
553F32.5Very low32.2Very low185 Ų185143.2 Ų143.281%0.81176%0.764SS**  -166.595128.4-119.4-87.3000113.7
554I33Very low32.2Very low101 Ų101139.7 Ų139.752%0.51876%0.761SS.*  trans27.7149.4145.5-2.1173.9000122.7N556I554-N556 HydrophobicContact CG2-CB 3.87Å; I554-N556 WeakPolarHBondContact CG2-ND2 3.5Å
555P44.2Very low31.9Very low135 Ų135139.8 Ų139.888%0.87776%0.764SS**  -131.2162.492.938.5-30.8000115.1
556N29.3Very low31.9Very low141 Ų141136.4 Ų136.475%0.75476%0.759SS**  trans-130.6149.8-157.5-117.3-25.7000114.5I554I554-N556 HydrophobicContact CG2-CB 3.87Å; I554-N556 WeakPolarHBondContact CG2-ND2 3.5Å
557L29.1Very low32Very low154 Ų154137.1 Ų137.181%0.80676%0.764SS**  trans-148.7110.9167.7-94.8174.7000113.4
558R26.8Very low32.3Very low199 Ų199139.4 Ų139.475%0.75177%0.766SS**  trans39.9151.2150.1-54.2-173.2178.6-163.21.1121.2
559F28.7Very low32.2Very low172 Ų172139.7 Ų139.775%0.75477%0.769SS**  cis-126.6-153.18.6-80.7-81.7000109.8
560T32.2Very low32.4Very low121 Ų121139 Ų13974%0.74277%0.771SS**  cis-137.6-173.48.555.10000110.2
561T29.8Very low32.5Very low110 Ų110135 Ų13568%0.67576%0.764SS**  cis70.7139.524.711.30000115.6
562L29.6Very low32.6Very low155 Ų155135.6 Ų135.681%0.81277%0.767SS**  cis-121.7165.63.2-81.1155000110.2
563I35.3Very low32.1Very low166 Ų166134.4 Ų134.485%0.85177%0.765SS**  -158.4166.265.5-77.5170000109.9
564G30.3Very low32Very low68 Ų68131.8 Ų131.870%0.70177%0.765SS**  trans-73.1-164.7-178.800000116.9
565S35.7Very low32.2Very low113 Ų113135.1 Ų135.179%0.7978%0.782SS**  cis-161.9148.730.649.90000117.6
566S31.9Very low31.6Very low98 Ų98133 Ų13369%0.68577%0.77SS**  trans34.1132.8144.163.30000125.2
567S32.9Very low31.8Very low108 Ų108134.5 Ų134.576%0.75577%0.773SS**  trans77.2154.7144.481.60000117.9
568Q35.5Very low31.9Very low179 Ų179132.2 Ų132.284%0.83677%0.77SS**  cis-134.9161.218.4-61.8176.6-5.700114
569N27.6Very low32.3Very low168 Ų168127.7 Ų127.790%0.89877%0.769SS**  trans-118.7138.5164.3-91.8-18.8000109.5
570A33.3Very low32.4Very low100 Ų100124.5 Ų124.583%0.82677%0.768SS**  trans-153.2160.9164.100000109.3
571S33Very low32.4Very low104 Ų104124.5 Ų124.573%0.72777%0.773SS**  trans-141.2171.6-155.4-49.50000115.1
572L31.6Very low32.3Very low174 Ų174127.1 Ų127.191%0.91178%0.781SS**  trans78.4142.3163.9-62.5160.6000116.2
573A31.9Very low32.3Very low71 Ų71124.8 Ų124.859%0.58778%0.778SS**  cis-158.6160.6-5.900000113.9
574T31.2Very low32.1Very low130 Ų130121.7 Ų121.780%0.79877%0.772SS**  trans52.5122.1152.147.80000121.8
575I35.8Very low32.1Very low172 Ų172127.7 Ų127.788%0.88278%0.778SS**  -161.8159.7106.1-96.8159.4000109.6
576S32.2Very low31.7Very low91 Ų91128.8 Ų128.864%0.63678%0.775SS**  trans-90.4150.6-15848.50000117.2
577Q32.4Very low31.7Very low171 Ų171132.4 Ų132.480%0.79978%0.782SS**  156.1137.3113.9-81-169.313.500113.6
578S32.9Very low31.5Very low107 Ų107132.9 Ų132.975%0.74878%0.78SS**  trans48.7138.3157.754.80000121.6
579S34.1Very low31.4Very low104 Ų104133.8 Ų133.873%0.72778%0.781SS**  cis-168.3141.1-1045.40000111.2
580S32.1Very low31.7Very low105 Ų105130.1 Ų130.173%0.73477%0.769SS**  trans11.2122.1160.654.40000119.9
581S31.5Very low31.5Very low121 Ų121130.7 Ų130.785%0.84677%0.767SS**  cis85.4141.335.685.90000116.4
582L26.9Very low31.5Very low164 Ų164132.9 Ų132.986%0.85977%0.77SS**  trans-89.3166.7-177.4-78.8158.1000113.7
583S30.4Very low31.7Very low106 Ų106131.1 Ų131.174%0.74176%0.76SS**  trans87.6130.3146.3750000121.9
584S31.5Very low32Very low102 Ų102134.2 Ų134.271%0.71377%0.766SS**  trans88.9106.2138.9-59.80000122.9
585F28.9Very low32Very low193 Ų193137.2 Ų137.285%0.84676%0.762SS**  trans74.3151.3134.3-83.8-84.4000123.1
586D28.4Very low31.9Very low136 Ų136134.6 Ų134.673%0.72775%0.746SS**  trans-77.9173.3-169.5-51.4-90.6000113.7
587Q32.3Very low32Very low174 Ų174135.7 Ų135.781%0.81375%0.754SS**  cis-158.7146.945.1-85.4-165.9-1300117.3
588V28.3Very low32.1Very low118 Ų118134 Ų13472%0.71575%0.749SS**  trans64.4128.1134.2176.10000121.5
589F33.6Very low32Very low199 Ų199133.6 Ų133.687%0.87375%0.745SS**  trans-146.8127.6136.6-119.6-83.9000112.6
590S33.1Very low32Very low90 Ų90136.3 Ų136.363%0.62975%0.746SS**  trans52.477.8156.4-63.10000122.8
591S29.6Very low32.3Very low113 Ų113136.3 Ų136.379%0.7975%0.746SS**  49.9114.1113.9-52.70000122.3
592N32.5Very low32.3Very low150 Ų150138 Ų13880%0.80275%0.746SS**  trans-154.2144.1145.6-105.3-106.3000107.3
593I36.7Very low32.6Very low136 Ų136139.2 Ų139.270%0.69774%0.744SS**  cis-152.8167.8-11.4-148.2-179.5000111.3
594I36.4Very low32.5Very low137 Ų137140 Ų14070%0.70375%0.748SS**  trans-22.2140.2163-66.1167.2000116.8
595R31.4Very low32.5Very low193 Ų193142.9 Ų142.973%0.72875%0.75SS**  cis177.3169.4-14.9-114.3170.2160-138.52.1108.6
596E33.8Very low32.7Very low117 Ų117141 Ų14155%0.54775%0.749SS.*  cis-97.3-97.3-1.5-60.5-76.5168.500111.6
597S34.5Very low32.7Very low113 Ų113138.1 Ų138.179%0.7975%0.752SS**  cis-164.4138-10.855.30000112.3
598I35.7Very low32.7Very low137 Ų137140.8 Ų140.870%0.70376%0.756SS**  cis-159.2142.3-32.1-158.2170000108.4
599C30.8Very low33Very low97 Ų97140.2 Ų140.266%0.65575%0.752SS**  trans61.4143.9170.9-67.10000118.1
600E34.1Very low33Very low162 Ų162137.8 Ų137.876%0.75775%0.749SS**  cis-161.2149.6-7.1-130.2160.7-138.300113.8
601S37Very low32.9Very low104 Ų104136.5 Ų136.573%0.72775%0.75SS**  trans60.7152159.666.90000120.2
602N32.1Very low33Very low157 Ų157140.5 Ų140.584%0.8475%0.753SS**  cis141.4113.1-20.6-93.9-24.2000109.5
603K34Very low33Very low189 Ų189139.6 Ų139.682%0.82275%0.753SS**  175.4150.5125.9-101.5-171.3175.2-153.50113.9
604C27.3Very low32.6Very low123 Ų123138.2 Ų138.283%0.83176%0.756SS**  trans-140.1141.1166.9-58.90000108.9
605E32.8Very low32.4Very low162 Ų162139.2 Ų139.276%0.75776%0.761SS**  trans174.2156.6166.6-101.7165158.100106.7
606N31.4Very low32.4Very low154 Ų154134.3 Ų134.382%0.82476%0.756SS**  cis174.3127.3-34.1-115.5-20.2000106.4
607G30.2Very low32.3Very low76 Ų76133.3 Ų133.378%0.78476%0.762SS**  trans84.1127.815000000121.5
608Y32.2Very low32.4Very low230 Ų230135.4 Ų135.490%0.90276%0.757SS**  -155.6169.5128.2-142.4-99.3000111.5
609V34.7Very low32.2Very low105 Ų105136.3 Ų136.364%0.63676%0.758SS**  trans-141.8159.1-169.4-165.40000111
610D32.6Very low32.3Very low149 Ų149135.5 Ų135.580%0.79777%0.766SS**  trans66.8153.2172.5-62-47000117.9
611G31.5Very low32.2Very low63 Ų63131.8 Ų131.865%0.64977%0.771SS**  cis171.5151.7-11.300000115.9
612F30.9Very low31.9Very low196 Ų196132.3 Ų132.386%0.8677%0.774SS**  trans69.9156.9149.2-81.5-82.9000125.5
613T32.1Very low32.1Very low131 Ų131130.8 Ų130.880%0.80477%0.771SS**  trans80114.3159.635.10000121.6
614S29.5Very low32.1Very low108 Ų108126.9 Ų126.976%0.75576%0.763SS**  trans-96.2178.2162.455.40000111.3
615I32Very low32.5Very low158 Ų158129.3 Ų129.381%0.8176%0.762SS**  trans144.7140.9157.3-81.7158.7000109.5
616S30.5Very low32.5Very low89 Ų89127.8 Ų127.862%0.62276%0.763SS**  cis-172.9-175-23.5690000110.1
617S33.3Very low33.1Very low96 Ų96125.9 Ų125.967%0.67176%0.76SS**  trans79.8157.1149-68.20000120
618K34.7Very low33.2Very low157 Ų157129.3 Ų129.368%0.68376%0.759SS**  cis174.1160.9-27.4-106.2174.3172.7-83.30107.4
619E33.4Very low33.5Very low157 Ų157125.2 Ų125.273%0.73475%0.752SS**  cis-170.5154.3-16.7-155.1156.2-116.700111.4
620G31.8Very low33.4Very low79 Ų79127.5 Ų127.581%0.81476%0.759SS**  trans94155.6145.600000121.3
621G31.7Very low34Very low84 Ų84126 Ų12687%0.86676%0.757SS**  trans118.7137.3153.700000117.7
622S30.3Very low34.2Very low115 Ų115129 Ų12980%0.80476%0.762SS**  trans-167.6170.8-152.1-175.40000113.8
623V37.7Very low34.8Very low125 Ų125124.6 Ų124.676%0.75875%0.754SS**  trans86.6148160.4-150.90000120.3
624T33.3Very low34.8Very low108 Ų108122.4 Ų122.466%0.66374%0.744SS**  trans82.1140.4170.284.50000118.2
625H36Very low34.9Very low174 Ų174126.1 Ų126.181%0.80675%0.747SS**  cis-126.9165.910.5-82.1-93.4000115
626T33.1Very low34.8Very low129 Ų129125.7 Ų125.779%0.79174%0.741SS**  trans-109.5-175.5179.3490000110.6
627P44.4Very low34.9Very low115 Ų115129.7 Ų129.775%0.74775%0.752SS**  cis-134.9-146.31338.2-12.3000113
628L32.2Very low35Very low147 Ų147129.6 Ų129.677%0.7776%0.757SS**  cis-162.1169.59.5-136.6-167.1000111.5
629I36.9Very low35.3Very low145 Ų145128 Ų12874%0.74476%0.762SS**  trans70.3128.5165-55.9176.8000117.4
630I33.8Very low35.3Very low153 Ų153129.1 Ų129.179%0.78577%0.767SS**  trans-142.3130.4179.5-62.1171.8000110.5
631P45Very low36Very low116 Ų116130.6 Ų130.675%0.75376%0.763SS**  trans-107.4165.9165.337.4-29.2000113.7
632T36.4Very low36Very low126 Ų126132.7 Ų132.777%0.77376%0.759SS**  trans-152.1-179-179.757.20000108.7
633P43.5Very low36.1Very low105 Ų105131.7 Ų131.768%0.68275%0.751SS**  cis-136.4-165.6-45.533.4-12.7000113.6
634S31.4Very low35.9Very low84 Ų84131.1 Ų131.159%0.58775%0.748SS**  trans91126.9137-73.30000124.5
635F32Very low35.9Very low186 Ų186134.7 Ų134.782%0.81676%0.758SS**  trans63152.2139.2-63.5-44.7000121.6
636H30.2Very low35.7Very low149 Ų149130.7 Ų130.769%0.6975%0.749SS**  cis-167.2138.9-32-150.4-4000110.2
637M30.9Very low35.6Very low173 Ų173130.4 Ų130.485%0.85275%0.747SS**  trans70.6164.2162.3-52.3-15212300120.2
638A36.2Very low35Very low94 Ų94133.8 Ų133.878%0.77775%0.75SS**  trans-107.3-177.6-173.200000110.7
639P40.5Very low35Very low123 Ų123132.2 Ų132.280%0.79975%0.747SS**  cis-141.8-165.221.743.2-20.9000117.3
640H34.8Very low34.8Very low181 Ų181131.9 Ų131.984%0.83875%0.751SS**  trans-77179.3178.6-62.3-80.1000114.9
641P44.9Very low34.8Very low111 Ų111129 Ų12972%0.72174%0.744SS**  cis-137.9-171.7-2322.63000115.7
642V32.7Very low34.2Very low128 Ų128132 Ų13278%0.77675%0.748SS**  trans111.9122.7143.9-1690000120.7
643S32.8Very low34.6Very low93 Ų93131.2 Ų131.265%0.6575%0.745SS**  trans68.4109.3150.772.50000125.8
644T33.9Very low34.2Very low114 Ų114132.4 Ų132.470%0.69975%0.75SS**  68.5116.8125.1600000124.8
645Q33.3Very low34.4Very low183 Ų183134.2 Ų134.286%0.85576%0.758SS**  65.5145.1128.3-65.3177.8-7.600120.7
646S31.2Very low34.8Very low90 Ų90131.4 Ų131.463%0.62976%0.759SS**  cis-170.5147.6-15.449.80000113.3
647T31.8Very low34.8Very low122 Ų122127.7 Ų127.775%0.74876%0.76SS**  trans62.6136.1146.150.10000123.8
648F31.2Very low34.9Very low186 Ų186126 Ų12682%0.81676%0.76SS**  trans71.8102.5146.3-91.7-104.8000122.6
649V32.3Very low34.9Very low115 Ų115129.3 Ų129.370%0.69776%0.762SS**  73.3125.4122.4175.30000121.7
650V32.5Very low34.4Very low138 Ų138128.5 Ų128.584%0.83676%0.76SS**  trans79.4156.9159.31630000118.4
651S33.1Very low34.7Very low91 Ų91125.7 Ų125.764%0.63676%0.758SS**  trans-145.7141-144-48.90000114.4
652H33.6Very low34.2Very low180 Ų180124.2 Ų124.283%0.83375%0.754SS**  trans72.7169.9143.5-67.619.6000117.8
653P43.8Very low34.1Very low109 Ų109126 Ų12671%0.70876%0.755SS**  -144.2-177-51.243.2-27.4000115.9
654V35.2Very low34Very low131 Ų131128.5 Ų128.579%0.79476%0.76SS**  trans89.3125.3157.1-178.30000120.9
655T35.8Very low33.8Very low122 Ų122131.4 Ų131.475%0.74877%0.765SS**  trans-56.1-177.7174.357.40000118.1
656P39.6Very low33.6Very low127 Ų127127.2 Ų127.283%0.82576%0.756SS**  cis-134.4169.9-0.539.4-22.6000117
657G31.1Very low33.5Very low70 Ų70128 Ų12872%0.72276%0.761SS**  trans160.9105.8155.100000121.2
658V33.4Very low33.4Very low139 Ų139126.7 Ų126.784%0.84276%0.764SS**  68.2123.6126.1177.90000122
659I34.6Very low33.9Very low162 Ų162123.2 Ų123.283%0.83176%0.76SS**  trans76.9132170.2-14.8-171.3000121.4
660S31.7Very low33.9Very low107 Ų107124.7 Ų124.775%0.74876%0.762SS**  trans-94-151.9167.3-32.10000110.3
661P40.7Very low33.7Very low122 Ų122123.9 Ų123.979%0.79276%0.757SS**  cis-115.5-172.10.345-30.9000112.3
662A34.6Very low33.6Very low79 Ų79126.5 Ų126.565%0.65376%0.763SS**  cis-138.6136.25.600000109.3
663E30.9Very low33.1Very low167 Ų167122.7 Ų122.778%0.7876%0.757SS**  61.4124.897.1-57.2-168.7124.400114.7
664L29.4Very low32.3Very low145 Ų145124.7 Ų124.776%0.75976%0.761SS**  69.6145.550.7-55.8165.9000111.6
665Q30.5Very low32.1Very low174 Ų174128.4 Ų128.481%0.81377%0.766SS**  cis-149.3-163.96.9-141.8162.622.900112.7
666S28.8Very low32Very low96 Ų96126 Ų12667%0.67177%0.766SS**  trans-101.9166.4-168.358.10000115.6
667S29.7Very low31.9Very low105 Ų105131.7 Ų131.773%0.73477%0.771SS**  trans68.4102.1143.455.70000121.9
668A29.8Very low32Very low96 Ų96132.3 Ų132.379%0.79377%0.769SS**  trans69.9165.6139.800000119.7
669P40.1Very low31.6Very low113 Ų113131.2 Ų131.273%0.73477%0.766SS**  cis-118-129.9-12.632.1-11000111
670I32.1Very low31.7Very low146 Ų146128.6 Ų128.675%0.74976%0.758SS**  trans75.3101.7167.3-62169.4000114.1
671V28.7Very low31.9Very low121 Ų121131.9 Ų131.973%0.73376%0.761SS**  87.5126.275.7159.90000113.9
672L30.8Very low31.3Very low146 Ų146130.1 Ų130.176%0.76476%0.757SS**  trans53.7118.6169.1-64.8165.4000117.3
673S24.9Very low31.4Very low99 Ų99131.5 Ų131.569%0.69276%0.76SS**  69.7141.563.2-64.50000116.5
674L26.6Very low31.6Very low152 Ų152131.8 Ų131.880%0.79676%0.761SS**  trans67.887.5158.3-65.2163.7000118.9
675K31.1Very low31.6Very low208 Ų208129.4 Ų129.490%0.90476%0.757SS**  -171.3147.698.1-85.6136-164163.50107.5
676G33.7Very low31.5Very low73 Ų73129.3 Ų129.375%0.75376%0.756SS**  cis148.7165.115.400000105.6
677R37.7Very low31.4Very low246 Ų246131.8 Ų131.893%0.92876%0.761SS**  cis-158.1161.68.5-90173.7169.8165.7-6.7104.9
678A32Very low31.2Very low82 Ų82131 Ų13168%0.67876%0.761SS**  cis-163.2-172.5-12.800000108
679C25Very low30.9Very low116 Ų116130.9 Ų130.978%0.78475%0.754SS**  trans-7.9152147.8-45.80000117.1
680V37Very low30.2Very low108 Ų108132.7 Ų132.766%0.65576%0.757SS**  -155.5149.459.8161.50000112.5
681E35Very low29.9Very low175 Ų175130.7 Ų130.782%0.81876%0.756SS**  trans55131.3169.2-75.7133.6-143.500119.1
682A28.3Very low30.1Very low86 Ų86130.3 Ų130.371%0.71175%0.754SS**  cis88.3160.728.500000113.7
683P38.2Very low30.2Very low108 Ų108127.9 Ų127.970%0.70175%0.749SS**  -136.2-148.8-91.137.3-16.4000113.2
684Q33.8Very low30.4Very low172 Ų172128.9 Ų128.980%0.80476%0.756SS**  trans84.2126.1171.2-52.9178.4-0.900115
685S29.6Very low30.5Very low96 Ų96124.9 Ų124.967%0.67175%0.751SS**  cis99.1109.116.984.30000116.5
686Q28.1Very low30.3Very low171 Ų171120.9 Ų120.980%0.79975%0.749SS**  trans70.7126.6144.6-67.7-170.2-4.700121.2
687L26.3Very low30Very low148 Ų148123.8 Ų123.878%0.77575%0.751SS**  trans66.6135.5133.3-66.8168.5000120.7
688A25.6Very low29.8Very low89 Ų89119.9 Ų119.974%0.73675%0.748SS**  trans49.5132.5137.400000119.3
689S24.5Very low29.5Very low93 Ų93123.6 Ų123.665%0.6576%0.756SS**  cis174.5-176.57.648.90000108
690L25.1Very low30.3Very low152 Ų152122.9 Ų122.980%0.79675%0.75SS**  trans55103.4152.9-68.9162000117
691S25.1Very low30.1Very low104 Ų104124.5 Ų124.573%0.72775%0.754SS**  114.1163.194.1700000110.3
692T33Very low30Very low113 Ų113123.8 Ų123.869%0.69375%0.75SS**  cis-141.2176.615.143.90000111.5
693S32.8Very low30.4Very low94 Ų94125.6 Ų125.666%0.65775%0.747SS**  trans52.2119.2149.456.50000120.2
694S29.3Very low30.4Very low120 Ų120127 Ų12784%0.83975%0.747SS**  cis77.212449.7810000115.3
695G30Very low30.4Very low68 Ų68125.5 Ų125.570%0.70174%0.744SS**  trans122.1109.4-17800000109.4
696C25.9Very low30.5Very low125 Ų125125.7 Ų125.785%0.84575%0.746SS**  80.1120.157.1-67.10000114.1
697V28.4Very low30.7Very low134 Ų134125.3 Ų125.381%0.81275%0.748SS**  trans81.4141158.1-174.30000117.2
698L31.8Very low31.4Very low164 Ų164122.7 Ų122.786%0.85974%0.74SS**  trans92.2108.1175.9-54.2-168.8000120.1
699L26.2Very low31.7Very low160 Ų160124.7 Ų124.784%0.83874%0.743SS**  trans-52.7-176.6141.1-85.671.6000112.5
700P42.1Very low32Very low101 Ų101126.1 Ų126.166%0.65675%0.748SS**  cis-135-166.3-2.121.15.5000115
701L33.1Very low32.3Very low141 Ų141124.1 Ų124.174%0.73875%0.747SS**  trans122.290.8139.2-59.3176.9000114.2
702Q33.6Very low33.2Very low160 Ų160125.3 Ų125.375%0.74875%0.752SS**  97.2151.7100.6-65.8-130.8-15.700111.8
703I36.1Very low33.1Very low124 Ų124123.5 Ų123.564%0.63676%0.756SS**  cis-156.1143.629.3-146.7145.6000111.8
704I37.6Very low32.9Very low139 Ų139127.3 Ų127.371%0.71377%0.765SS**  trans63.3134.8153-68.6168.9000119
705N34.8Very low33Very low139 Ų139126 Ų12674%0.74376%0.756SS**  cis-157.8164.3-5.8-112.75.4000115.2
706S31.6Very low33Very low100 Ų100129.7 Ų129.770%0.69976%0.758SS**  trans-38.1157.9171.649.20000120.7
707L31.3Very low33.2Very low163 Ų163130.7 Ų130.785%0.85376%0.755SS**  cis96.616820.7-121.182.8000116.5
708P42.6Very low33.3Very low94 Ų94131.4 Ų131.461%0.6175%0.753SS**  -141.2-162-108.749-30.4000119
709T30.1Very low33.1Very low130 Ų130130.4 Ų130.480%0.79875%0.749SS**  trans69.1171.9154.2500000121.5
710V31.5Very low33.4Very low123 Ų123128.2 Ų128.275%0.74574%0.742SS**  -173.4129.2-59.5140.20000112
711S31.8Very low32.8Very low111 Ų111132.1 Ų132.178%0.77675%0.748SS**  trans53.4-172.3159.3-57.80000119.2
712P43.2Very low32.8Very low129 Ų129131.8 Ų131.884%0.83875%0.747SS**  cis-139.5-177.6-7.544.2-26.4000118.2
713G31.1Very low32.7Very low74 Ų74130.8 Ų130.876%0.76375%0.747SS**  trans100.6158153.800000118.4
714M29.4Very low32.3Very low175 Ų175132.4 Ų132.486%0.86276%0.757SS**  cis-171.3160.4-11.3-125.5-69-158.900110.5
715S30.1Very low32Very low93 Ų93131.4 Ų131.465%0.6576%0.757SS**  trans71.6157.9156.9-65.60000121.1
716I30.6Very low31.8Very low144 Ų144130 Ų13074%0.73875%0.753SS**  cis-170.2167.4-21.6-105.6165.8000110
717L30.7Very low31.8Very low147 Ų147136.2 Ų136.277%0.7776%0.761SS**  trans79.2102.5159.2-87.2167000124.2
718L30.8Very low31.8Very low148 Ų148135.3 Ų135.378%0.77575%0.753SS**  28.3122122.3-67.1176.7000125.2
719N26.7Very low31.2Very low144 Ų144136.9 Ų136.977%0.7776%0.756SS**  83.4161110.7-156.915.4000123
720V32Very low31.2Very low114 Ų114134.9 Ų134.969%0.69175%0.748SS**  trans91.293.8160.8-163.90000120.7
721K31.2Very low31.2Very low183 Ų183135.2 Ų135.280%0.79675%0.75SS**  20.9144.8129.6-72.7-176.9177.4177.10123.4
722N31.7Very low31.5Very low133 Ų133135.4 Ų135.471%0.71175%0.749SS**  117.2146.3125.5-92.110.3000120.6
723N31.9Very low31Very low139 Ų139135.5 Ų135.574%0.74375%0.751SS**  trans67.6120167.4-54.1-17.9000115.8
724N27.6Very low31Very low158 Ų158139.1 Ų139.185%0.84575%0.752SS**  cis74150.226.6-149.91000114.5
725V31.4Very low31.6Very low119 Ų119136.2 Ų136.272%0.72175%0.746SS**  trans95.2102.6174.4-176.90000118.8
726V31.5Very low31.5Very low110 Ų110137.7 Ų137.767%0.66775%0.746SS**  trans61.5121.7137174.60000118.5
727R31.8Very low31.5Very low229 Ų229139.1 Ų139.186%0.86475%0.748SS**  -142.9136.460.3-73.7-179.1178171.5-0.1111.8
728Q30.8Very low31.6Very low145 Ų145137.5 Ų137.568%0.67874%0.744SS**  85.1130.258.4-93.4-170.3-14.400115.8
729N29.6Very low31.3Very low126 Ų126135.7 Ų135.767%0.67474%0.744SS**  trans75109.4149.5-60.35000117.2
730S30.4Very low31.5Very low89 Ų89134.7 Ų134.762%0.62274%0.743SS**  74.910869.578.70000112.2
731T32.1Very low31.6Very low130 Ų130135.6 Ų135.680%0.79874%0.743SS**  55.4159.391.966.70000115.2
732P38.1Very low31.7Very low115 Ų115133.5 Ų133.575%0.74774%0.741SS**  cis-128.6-175.3-2.742.1-26.9000113.7
733C31.5Very low31.8Very low130 Ų130130.4 Ų130.488%0.87873%0.734SS**  trans-167.5120.2136.8-116.60000112.5
734L30.3Very low31.8Very low151 Ų151130.1 Ų130.179%0.79174%0.737SS**  trans-121141167.9-96.7147000107.6
735P42.3Very low32Very low114 Ų114126.3 Ų126.374%0.7473%0.727SS**  -126.8138.4112.6318.5000110.5
736N27.9Very low31.9Very low123 Ų123125.8 Ų125.866%0.65873%0.729SS**  84.6149.958.9-77.7-14.9000115.2
737F30.6Very low31.8Very low175 Ų175128.9 Ų128.977%0.76874%0.736SS**  trans85.599.2164.8-65.1-66.2000120.2
738T32.8Very low31.6Very low113 Ų113122.2 Ų122.269%0.69373%0.725SS**  42.2126.4121.755.50000119.6
739S25.7Very low31.7Very low109 Ų109122.9 Ų122.976%0.76273%0.733SS**  72.1155.556.3-166.50000114
740V31Very low31.8Very low124 Ų124120.2 Ų120.275%0.75274%0.735SS**  trans73119.8-170.1-172.70000112.6
741N32.8Very low31.7Very low132 Ų132121.6 Ų121.671%0.70675%0.745SS**  cis-156.1-174.1-10.7-115.83.5000106.8
742N33.4Very low31.6Very low140 Ų140121.2 Ų121.275%0.74974%0.742SS**  cis-159.9177.112.7-1383.8000107.1
743A33.7Very low31.2Very low67 Ų67124 Ų12455%0.55474%0.743SS**  cis-157.1161.6-800000108.9
744V33.5Very low31.2Very low133 Ų133125 Ų12581%0.80674%0.738SS**  trans55.6102149174.20000117
745A31.7Very low31.6Very low78 Ų78125.3 Ų125.365%0.64574%0.74SS**  61.4100.274.700000112.6
746S27.9Very low31.2Very low109 Ų109125 Ų12576%0.76274%0.738SS**  94.514265.467.80000114.2
747E29.3Very low31.7Very low175 Ų175124.4 Ų124.482%0.81874%0.739SS**  trans80.4109.2163.7-54.7-158.5151.400121.5
748S29.5Very low32.4Very low89 Ų89121.8 Ų121.862%0.62274%0.74SS**  83.8144.6127.280.30000121.1
749N31.9Very low32.3Very low159 Ų159119 Ų11985%0.8573%0.734SS**  trans64.8153.2167.1-47.4-50.3000115.2
750G31.2Very low32.4Very low70 Ų70121 Ų12172%0.72273%0.734SS**  cis-175.8155.2-5.800000109.5
751S29.4Very low32.3Very low117 Ų117119.7 Ų119.782%0.81873%0.726SS**  trans-50.8143.9176.753.10000114
752V30.3Very low32.5Very low122 Ų122119.7 Ų119.774%0.73973%0.731SS**  -177.8121127.2142.60000112.5
753F28.2Very low32.5Very low174 Ų174118.9 Ų118.976%0.76373%0.727SS**  trans65.2146.1145.3-79-126.3000123.2
754L32.9Very low32.8Very low150 Ų150122 Ų12279%0.78573%0.734SS**  trans65.4112.6145-70.9167.4000120.6
755L37.7Very low32.9Very low158 Ų158123.1 Ų123.183%0.82774%0.735SS**  -47.3132.7129.1-75.3154.7000108.6
756P35Very low33Very low108 Ų108122.8 Ų122.870%0.70174%0.739SS**  -140.7163.969.339.3-24.8000116P758P756-P758 WeakPolarHBondContact O-CD 3.27Å
757T37.6Very low33.2Very low110 Ų110125.2 Ų125.268%0.67574%0.744SS**  trans-66.6128.9164.7490000111.8
758P45.7Very low33.3Very low121 Ų121123.1 Ų123.179%0.78674%0.743SS**  trans-66.2123.9130.831.6-29.1000107P756P756-P758 WeakPolarHBondContact O-CD 3.27Å
759G29.6Very low33.4Very low55 Ų55123.4 Ų123.457%0.56775%0.745SS**  cis73.3153.710.800000111.9
760I28.1Very low33.5Very low150 Ų150121.8 Ų121.877%0.76974%0.736SS**  cis-158.8138.81.3-137.2152.4000107.4
761V29.3Very low33.6Very low97 Ų97125.8 Ų125.859%0.58874%0.739SS**  trans48.9129137.1176.70000116.9N763V761-N763 HydrophobicContact CG1-CB 3.97Å; V761-N763 VanDerWaalsContact CG1-ND2 3.32Å; V761-N763 WeakPolarHBondContact CG1-ND2 3.46Å
762T38Very low34.3Very low132 Ų132125.3 Ų125.381%0.8173%0.734SS**  -148.6138.985.337.50000113.5
763N32.9Very low34.5Very low122 Ų122125.6 Ų125.665%0.65274%0.735SS**  66.7130.355.3-88.3-6.8000112.8V761V761-N763 HydrophobicContact CG1-CB 3.97Å; V761-N763 VanDerWaalsContact CG1-ND2 3.32Å; V761-N763 WeakPolarHBondContact CG1-ND2 3.46Å
764L38.6Very low34.8Very low134 Ų134123.6 Ų123.670%0.70274%0.737SS**  cis-138.9170.2-1.9-57.895.9000107.7
765N35.9Very low34.9Very low155 Ų155124.2 Ų124.283%0.82974%0.736SS**  -170.7163.752.8-78.4-69.9000110.5
766G34.9Very low34.4Very low72 Ų72122.7 Ų122.774%0.74273%0.728SS**  trans110.197152.400000116.9
767N31.6Very low34.6Very low159 Ų159123.3 Ų123.385%0.8573%0.732SS**SBendtrans-17.9119.8164.1-56-16.1000117.9
768V31.2Very low34.3Very low131 Ų131122.7 Ų122.779%0.79473%0.728SS**SBendtrans68.3124.9156.5-173.40000117.3
769S31.7Very low33.6Very low95 Ų95123.9 Ų123.966%0.66472%0.723SS**  trans83153.5165.579.40000120
770N33.6Very low33.7Very low125 Ų125128.3 Ų128.367%0.66873%0.729SS**  trans84.297.5152.8-60.2-23.3000123.4
771I34Very low33.7Very low154 Ų154131.4 Ų131.479%0.7973%0.731SS**  65.8-154.5119.1-57.4153.3000114.4
772P44.2Very low33.7Very low108 Ų108133 Ų13370%0.70174%0.741SS**  -84.9170.2-89.434.8-28.2000116.6
773V34.9Very low33.3Very low127 Ų127133.8 Ų133.877%0.7774%0.74SS**  cis-103-91.1-7.7-157.70000110.3
774V33.9Very low33.4Very low133 Ų133135 Ų13581%0.80675%0.746SS**  cis-151.5127.3-24.2-170.30000106.2
775Q34.1Very low33Very low163 Ų163135.9 Ų135.976%0.76275%0.749SS**  cis-144.7169-25-152.7-157.1-93.600108.7
776L27.7Very low33.4Very low126 Ų126133.7 Ų133.766%0.6674%0.744SS**  trans-118.7172.8-177.3-96.856000109.7T778L776-T778 HydrophobicContact CB-CG2 4.12Å; L776-T778 HydrophobicContact CD2-CG2 3.56Å; L776-T778 HydrophobicContact CG-CG2 3.75Å
777P39.3Very low33.2Very low120 Ų120135.6 Ų135.678%0.77975%0.746SS**  cis-135.9-179.325.218.78.8000116.8
778T30.8Very low33.3Very low98 Ų98134 Ų13460%0.60174%0.742SS**  cis-171.1159.8-39.833.70000110.2L776L776-T778 HydrophobicContact CB-CG2 4.12Å; L776-T778 HydrophobicContact CD2-CG2 3.56Å; L776-T778 HydrophobicContact CG-CG2 3.75Å
779Q32.1Very low33.3Very low146 Ų146134.7 Ų134.768%0.68274%0.74SS**  trans65.7102.9148.6-68.4-76.61600120.3
780Q31Very low33.3Very low148 Ų148134.4 Ų134.469%0.69274%0.738SS**  54.1126.7120.5-72.1-16829.800123.6
781R28.4Very low33.3Very low214 Ų214134.9 Ų134.981%0.80875%0.746SS**  80.2117129.7-76.9-174160.8-165.8-5.3121.5
782V29.1Very low33Very low131 Ų131133 Ų13379%0.79475%0.747SS**  trans63.386.3132.1-170.20000116.9
783N29.2Very low32.4Very low148 Ų148134.6 Ų134.679%0.79175%0.754SS**  trans-143.8153.5152.6-84.8-32.1000105.8
784L35.1Very low32.1Very low149 Ų149136.6 Ų136.678%0.7876%0.759SS**  cis-154.4172.7-9.8-118.9163.6000108.9
785I31Very low32Very low151 Ų151135 Ų13577%0.77475%0.754SS**  trans-99.6-178.9178.9-17.4-178.7000109.7
786P42.9Very low31.7Very low110 Ų110135 Ų13571%0.71476%0.759SS**  -123.9-142.5-10645.8-30000113.8
787S31.2Very low31.8Very low111 Ų111134.6 Ų134.678%0.77677%0.767SS**  trans94137.1178.281.70000113.8
788T33.6Very low31.4Very low125 Ų125137.5 Ų137.577%0.76777%0.77SS**  cis-134.1-1798.557.30000110
789L32.4Very low31.3Very low147 Ų147140.8 Ų140.877%0.7778%0.783SS**  cis-155.6159.7-0.6-133.8166.6000109.4
790S31.8Very low31.2Very low89 Ų89138.5 Ų138.562%0.62278%0.783SS**  trans23.7112.9156.762.10000122.4
791T32.6Very low31.2Very low135 Ų135137.6 Ų137.683%0.82879%0.788SS**SBend-144.1144.6100.542.30000109.5
792S28.3Very low31.1Very low115 Ų115137 Ų13780%0.80479%0.791SS**SBendtrans65.9152.7-168.180.30000115.3
793V30.2Very low31.2Very low141 Ų141138.8 Ų138.886%0.85579%0.791SS**  trans62.363.6-178.5-159.10000115.8
794L29.3Very low31.3Very low168 Ų168136.4 Ų136.488%0.8879%0.786SS**  trans-92.9153.3135.3-73.4167000107.4
795S31.7Very low31.2Very low99 Ų99135 Ų13569%0.69279%0.788SS**  cis-169.1137-15.546.80000108.6
796N28.9Very low31.2Very low164 Ų164132 Ų13288%0.87779%0.787SS**  trans-70.5137.4175.1-72.1-26.2000111.6H798N796-H798 PolarHBondContact O-N 2.86Å
797S29Very low30.8Very low118 Ų118132.8 Ų132.883%0.82579%0.789SS**  trans-77.890.2175.858.20000112.2
798H30.9Very low30.9Very low181 Ų181134.7 Ų134.784%0.83879%0.79SS**  trans49.8132.7148.4-77.6-95.2000121.9N796N796-H798 PolarHBondContact O-N 2.86Å
799L28.9Very low31.1Very low167 Ų167133.8 Ų133.887%0.87479%0.787SS**  trans-80.9122.1165.2178.872.5000111
800S29Very low31.1Very low98 Ų98132.1 Ų132.169%0.68578%0.778SS**  trans-138.892158.549.30000108.6
801T31.5Very low30.8Very low128 Ų128135.2 Ų135.279%0.78579%0.788SS**  77.6138.2105.251.10000115.6
802F27Very low30.6Very low202 Ų202137 Ų13789%0.88679%0.785SS**  trans-73.7172.3-176.7-105.2-104.2000113.7
803Q31.8Very low30.5Very low168 Ų168136.7 Ų136.779%0.78578%0.782SS**  trans77.2100158.1-77.1169.2-14.300119.2
804S30.7Very low30.4Very low99 Ų99134.4 Ų134.469%0.69277%0.769SS**  38.3118.1123.256.90000120.7
805S31.6Very low30.4Very low118 Ų118133.8 Ų133.883%0.82577%0.765SS**  trans60.895.714360.80000119.8
806A32.4Very low30.5Very low89 Ų89134.4 Ų134.474%0.73677%0.766SS**  -166.9148.3121.800000112.8
807T33.7Very low30.4Very low126 Ų126130.1 Ų130.177%0.77376%0.76SS**  trans36.7105.4150.854.10000121.3
808L33.8Very low30.3Very low151 Ų151131.5 Ų131.579%0.79176%0.759SS**  34.9150.1121.8-69.3167.4000121.8
809P37.6Very low30.3Very low107 Ų107128.8 Ų128.870%0.69575%0.749SS**  cis-127.5151.714.338.7-23.5000117.1
810N32.2Very low30.4Very low112 Ų112128 Ų12860%0.59974%0.738SS**  trans39.4114.5138.8-50.7-6.2000118.3F812N810-F812 HydrophobicContact CB-CD2 4.44Å
811N25.5Very low30.7Very low153 Ų153132.9 Ų132.982%0.81874%0.744SS**  cis58.991.734.1-148.929.3000113.1
812F29.4Very low30.7Very low174 Ų174131 Ų13176%0.76374%0.736SS**  trans-152.9102.5161.6-106.7-68.4000112.8N810 T814N810-F812 HydrophobicContact CB-CD2 4.44Å; F812-T814 WeakPolarHBondContact CD1-OG1 3.46Å
813S24.9Very low30.9Very low107 Ų107127.8 Ų127.875%0.74873%0.732SS**  trans-101.9107.914446.60000107.4
814T29.3Very low30.9Very low94 Ų94123.9 Ų123.958%0.57773%0.729SS**  trans-179.7108.3154.317.80000113.9F812F812-T814 WeakPolarHBondContact CD1-OG1 3.46Å
815I29.1Very low31Very low155 Ų155123.3 Ų123.380%0.79573%0.731SS**  trans60.8-162.3137.3-42.8163.4000114.6
816P33.2Very low31.2Very low112 Ų112125.7 Ų125.773%0.72773%0.729SS**  -97.6155.2-90.933.8-25.3000116.7
817G27.4Very low31.4Very low73 Ų73128.7 Ų128.775%0.75373%0.732SS**  trans71.8-180145.700000117.2
818D25.6Very low31.8Very low147 Ų147127.3 Ų127.379%0.78672%0.724SS**  cis-163.9171.9-18.7-148.3-31.3000108.3
819I32.6Very low31.8Very low125 Ų125128.6 Ų128.664%0.64173%0.731SS**  trans65.6132.4154.2-76.7169000117.1
820K30.4Very low31.6Very low149 Ų149127 Ų12765%0.64873%0.734SS**  cis-152.8166.3-5.7-95.2162.2-160.6161.70105.7
821Y34.3Very low31.6Very low202 Ų202127.9 Ų127.979%0.79274%0.744SS**  cis-144.813037.2-77.4-96000109.2
822S31.4Very low32.1Very low89 Ų89128.9 Ų128.962%0.62274%0.744SS**  74.8139.595-54.20000115.2
823T32.3Very low32.1Very low133 Ų133126.3 Ų126.382%0.81674%0.737SS**  cis-177.4160-11.627.90000107.1
824A31.7Very low32.3Very low87 Ų87130 Ų13072%0.71974%0.74SS**  cis-177.2-177.6-18.800000108.7
825A33.5Very low32.4Very low87 Ų87132.4 Ų132.472%0.71975%0.748SS**  trans71.315317000000117.5
826Q34.3Very low32.5Very low168 Ų168131.7 Ų131.779%0.78575%0.745SS**  cis-162.1136.6-14-112.6169.1-6.600110.9
827L36.6Very low32.3Very low152 Ų152137.4 Ų137.480%0.79675%0.752SS**  trans32.9161137.7-61.7169.6000123.2
828P42.9Very low32.6Very low96 Ų96139 Ų13962%0.62375%0.749SS**  cis-149.9-170.4-48.545-26.3000116.5
829L34.1Very low32.6Very low178 Ų178138.7 Ų138.793%0.93275%0.753SS**  trans80.7141.7151.4-105.488.4000122.9
830G32.3Very low32.6Very low74 Ų74138 Ų13876%0.76376%0.759SS**  trans141.7101.5164.700000115.2
831T32.9Very low32.5Very low130 Ų130140.4 Ų140.480%0.79877%0.77SS**  trans-124.7137.9-17246.50000115.7
832Q35.3Very low32.7Very low175 Ų175135.5 Ų135.582%0.81876%0.763SS**  trans-164161.2160.8-66.5-53.3-1.600108.8
833L31.1Very low32.6Very low119 Ų119137.9 Ų137.962%0.62377%0.768SS**  cis-165.9161.7-40.2-129.5-176.7000108.8
834F27.9Very low32.6Very low184 Ų184137.9 Ų137.981%0.80776%0.762SS**  trans66.1154.1163.2-72.8-60.5000118
835I31.6Very low32.9Very low145 Ų145141.7 Ų141.774%0.74477%0.768SS**  cis-149.3149.425.3-72.4-174.7000112.9
836L31.3Very low32.7Very low140 Ų140144.3 Ų144.373%0.73377%0.77SS**  trans64.3119.7155.1-74.1167000126.9
837R28Very low33.3Very low232 Ų232141.1 Ų141.188%0.87576%0.764SS**  75.4161129.7-82.3-170.8-178.71610.9122.3
838P34.3Very low33.1Very low107 Ų107139 Ų13970%0.69576%0.758SS**  trans-128.7172.1-137.745.4-33.9000117.8
839T26.9Very low32.6Very low141 Ų141145.2 Ų145.287%0.86577%0.771SS**  trans-170.3177.2141.58.90000114.6
840S31.5Very low32.5Very low111 Ų111145.3 Ų145.378%0.77676%0.764SS**  trans69.7103.1163.356.70000123.3
841K27.8Very low32.4Very low198 Ų198147.9 Ų147.986%0.86176%0.76SS**  8.6156.6114.3-72.7-176.4177.6-178.30118.7
842P38.1Very low32.3Very low100 Ų100147.3 Ų147.365%0.64976%0.756SS**  cis-161.1-175.146.246.8-25.1000121.1
843N30.6Very low32.1Very low138 Ų138144.4 Ų144.474%0.73876%0.755SS**  trans70.6156.4144.1-70.9-5.9000121.4
844I31.7Very low32.2Very low133 Ų133146.6 Ų146.668%0.68277%0.767SS**  cis-160.9155.8-13.9-113.8166.9000110.1
845I39.1Very low32.4Very low167 Ų167143 Ų14386%0.85676%0.762SS**  trans-166.4153.2133.6-100160.5000109.4
846N29.2Very low32.5Very low142 Ų142143.2 Ų143.276%0.75977%0.77SS**  trans-114.9-177-163.5-133.3-13.6000110.3
847P45.9Very low32.5Very low101 Ų101140.7 Ų140.766%0.65676%0.764SS**  cis-148.616741.341.9-20.8000119.9
848T33.7Very low32.7Very low108 Ų108136.4 Ų136.466%0.66376%0.763SS**  trans63.2141.7151.746.10000119.7
849Y32.4Very low32.7Very low227 Ų227137.5 Ų137.589%0.8976%0.762SS**  cis-126.5-179.410.6-107.9-85.6000112.9
850F31.5Very low32.9Very low180 Ų180139.1 Ų139.179%0.78977%0.766SS**  trans-97.4151.4-169.4-102.8-118.5000115.5
851N29.5Very low33Very low128 Ų128136.1 Ų136.168%0.68475%0.752SS**  trans28.2144.9133.4-63.75.3000120.9
852T31.9Very low33.2Very low117 Ų117132.7 Ų132.772%0.71875%0.748SS**  cis-164.6164.58.840000111.4
853S30.8Very low32.9Very low114 Ų114136 Ų13680%0.79775%0.753SS**  trans66.4140.3159.1520000121
854L33.5Very low32.9Very low166 Ų166136 Ų13687%0.86975%0.753SS**  trans-18.6149.8163.5-64.1150.1000117.2
855P31.6Very low32.9Very low109 Ų109133.9 Ų133.971%0.70875%0.75SS**  cis-143.8-175.731.942.9-24.8000116.4
856V32.7Very low32.4Very low149 Ų149133.7 Ų133.790%0.90375%0.749SS**  trans-139.598.3157.7-1780000110.7
857S32.3Very low32.3Very low87 Ų87131.8 Ų131.861%0.60875%0.747SS**  trans-167.8100.3161.259.90000112.1I859S857-I859 WeakPolarHBondContact O-CD1 3.48Å
858T31.5Very low31.5Very low141 Ų141133.3 Ų133.387%0.86575%0.754SS**  trans-147.1102.7167.613.40000107.2
859I34.9Very low31.1Very low130 Ų130133.3 Ų133.367%0.66776%0.759SS**  cis88.2118.350-63.8163.5000112.2S857S857-I859 WeakPolarHBondContact O-CD1 3.48Å
860N31.9Very low31Very low175 Ų175128 Ų12894%0.93676%0.755SS**  trans-169.3117.4134.8-93.9-22.5000109
861G32.2Very low30.9Very low48 Ų48125.1 Ų125.150%0.49575%0.752SS.*  cis173.3159.8-11.300000113.6
862T33.1Very low30.9Very low126 Ų126124.5 Ų124.577%0.77375%0.753SS**  trans62.4144158.363.80000118.9
863F30.8Very low30.7Very low170 Ų170126.4 Ų126.475%0.74676%0.759SS**  cis-147.5152.412.5-101.1-69.7000111.2
864N31.3Very low30.7Very low139 Ų139125.9 Ų125.974%0.74376%0.762SS**  trans49.8151.1145.3-65.4-4.8000122.5
865S32.1Very low30.5Very low88 Ų88121.1 Ų121.162%0.61575%0.752SS**  cis-173.7141.7-18.152.50000112.3
866L28.1Very low30.5Very low162 Ų162123.3 Ų123.385%0.84876%0.757SS**  trans60.5140143.9-68.1167.6000123.3
867S27.2Very low30.4Very low103 Ų103121.8 Ų121.872%0.7275%0.749SS**  trans105.3114.3131.874.30000123
868V28.4Very low30.3Very low133 Ų133123.3 Ų123.381%0.80675%0.754SS**  81.9137.5118.9170.90000122.5
869S26.4Very low30.1Very low107 Ų107121.5 Ų121.575%0.74874%0.742SS**  trans82.1140.9154.974.50000122.3
870S30.2Very low29.7Very low117 Ų117124.5 Ų124.582%0.81875%0.751SS**  trans-141.5105.1169.950.20000109.5
871T28.2Very low29.6Very low119 Ų119120.3 Ų120.373%0.7374%0.74SS**  trans-159.6149.6176.719.80000111.9
872T30.9Very low29.3Very low115 Ų115124.9 Ų124.971%0.70675%0.754SS**  trans58.3118.6155.251.10000120.8
873N27.1Very low29.5Very low157 Ų157123.9 Ų123.984%0.8475%0.749SS**  35.4137.4115.4-57.7-4000119.5
874A29.8Very low29.3Very low103 Ų103122.5 Ų122.585%0.85175%0.75SS**  cis-166.9169.6-2.800000110.9
875G30.3Very low29.1Very low65 Ų65123.4 Ų123.467%0.6775%0.749SS**  trans145.683.8174.200000113
876L30.6Very low29Very low155 Ų155127 Ų12781%0.81275%0.754SS**  70.292.1107.1-69.9171.1000114.2
877T30.6Very low28.8Very low118 Ų118126 Ų12672%0.72475%0.749SS**  76.1140.893.854.50000114.2
878V30.4Very low28.9Very low119 Ų119130.1 Ų130.172%0.72175%0.754SS**  cis-157.7135.315.6103.80000108.1
879V27.7Very low28.8Very low102 Ų102128 Ų12862%0.61875%0.745SS**  51.5131.5103.1164.50000115.2
880F25.9Very low28.8Very low194 Ų194130 Ų13085%0.85175%0.747SS**  cis-161.2-173.1-22.3-82.4-37.1000104.9
881A30.6Very low28.7Very low86 Ų86130.1 Ų130.171%0.71175%0.749SS**  cis-158.4171.87.100000107.2
882N25.7Very low28.7Very low145 Ų145127.8 Ų127.878%0.77575%0.748SS**  cis72.9130.115.4-16669.6000117.2
883P37.7Very low28.7Very low104 Ų104130.7 Ų130.768%0.67576%0.76SS**  cis-120.3174.6-12.631.1-9.9000112.3
884N25.7Very low28.8Very low142 Ų142131.1 Ų131.176%0.75976%0.761SS**  cis80.2111.636.9-108.8-13.4000117.5
885H28.2Very low29Very low157 Ų157133 Ų13373%0.72776%0.762SS**  trans37.1121.5141.6-91.9-133.2000123.3
886K28.9Very low28.9Very low165 Ų165139.1 Ų139.172%0.71777%0.77SS**  38.2111.3125.8-75.4-177.5177.2173.70120
887N25.2Very low28.7Very low139 Ų139139.5 Ų139.574%0.74377%0.772SS**  158.8167.9102.4-85.3-27.6000114.7
888F27.9Very low29Very low190 Ų190139.5 Ų139.583%0.83377%0.774SS**  trans86.1122.3152.6-89-71.2000122.7
889S26.1Very low29Very low88 Ų88140.3 Ų140.362%0.61578%0.779SS**  trans62.1126139.354.10000123.5
890D28Very low29.2Very low149 Ų149142.6 Ų142.680%0.79779%0.793SS**  trans75.1127.5130.1-57.8-20.5000123.4
891S27.1Very low29.4Very low121 Ų121138.2 Ų138.285%0.84679%0.786SS**  trans33.7125.7145.4640000120.6
892G29.3Very low29.5Very low70 Ų70138.7 Ų138.772%0.72279%0.785SS**  trans159.820.3157.700000120.6L894G892-L894 VanDerWaalsContact C-N 3.28Å; G892-L894 PolarHBondContact O-N 3.24Å
893N30.3Very low29.7Very low176 Ų176138.5 Ų138.594%0.94178%0.777SS**  trans-73.979.7175.2-88.3-6000112.2
894L29.5Very low29.4Very low166 Ų166136.7 Ų136.787%0.86977%0.767SS**  trans-104.9138.3153.1-83.3174.4000109.4G892G892-L894 VanDerWaalsContact C-N 3.28Å; G892-L894 PolarHBondContact O-N 3.24Å
895V32.9Very low29.6Very low143 Ų143134.9 Ų134.987%0.86776%0.757SS**  trans-78.6142.2-170.61770000111.1
896F28.1Very low29.7Very low193 Ų193134.4 Ų134.485%0.84676%0.758SS**  trans-55.7134176.3-87.7-106.1000113.2
897L28.1Very low29.7Very low163 Ų163134.7 Ų134.785%0.85376%0.76SS**  trans-121.6138.2142.1-80171.2000108.1
898P36.8Very low30.3Very low118 Ų118133.9 Ų133.977%0.76676%0.762SS**  trans-80.5151.1-168.731.8-35.9000113.7
899T28.8Very low30.3Very low136 Ų136131.5 Ų131.583%0.83476%0.757SS**  trans-76.6136.1178.852.30000113.5
900V32.5Very low30.3Very low149 Ų149133.8 Ų133.890%0.90377%0.772SS**  trans-136.6144.8145.4-170.20000108.1
901S30.4Very low30.3Very low102 Ų102131 Ų13171%0.71377%0.769SS**  trans-96.4134.6-165.9-166.40000114.7
902S31.7Very low30.5Very low96 Ų96130.9 Ų130.967%0.67176%0.764SS**  trans45.1121.214263.90000121.1
903K30.3Very low30.8Very low142 Ų142134.9 Ų134.962%0.61777%0.769SS**  -164.2139.5121.3-109.8170.9-178.5177.50114.2I62I62-K903 HydrophobicContact CD1-CG 4.18Å; I62-K903 HydrophobicContact CG1-CG 4.46Å; I62-K903 HydrophobicContact CG2-CB 4.45Å; I62-K903 HydrophobicContact CG2-CD 3.77Å; I62-K903 HydrophobicContact CG2-CG 3.85Å
904S31.6Very low31.1Very low65 Ų65131.9 Ų131.946%0.45576%0.758SS.*  trans55120.4156.647.50000122.1
905N29.9Very low31.1Very low104 Ų104130.9 Ų130.956%0.55675%0.753SS**  trans63.4117.2137.3-50.4-0.7000117.9S61S61-N905 PolarHBondContact OG-ND2 2.83Å
906I30.1Very low31Very low147 Ų147130.1 Ų130.175%0.75475%0.749SS**  6996.451.9-53.8175.7000112.7
907F28.5Very low31Very low172 Ų172125.3 Ų125.375%0.75474%0.739SS**  36.2154.8120-75.3-79000120.5L909F907-L909 HydrophobicContact CD1-CD1 4.37Å; F907-L909 HydrophobicContact CE1-CD1 4.04Å; F907-L909 HydrophobicContact CE1-CG 4.44Å
908P39.5Very low31.1Very low122 Ų122123.6 Ų123.679%0.79273%0.73SS**  cis-132.917027.838.1-19000119
909L26.2Very low30.9Very low139 Ų139122 Ų12273%0.72871%0.711SS**  trans-63.4151.3162.3-63138.3000111.1F907F907-L909 HydrophobicContact CD1-CD1 4.37Å; F907-L909 HydrophobicContact CE1-CD1 4.04Å; F907-L909 HydrophobicContact CE1-CG 4.44Å
910C27Very low31Very low137 Ų137119.8 Ų119.893%0.92670%0.701SS**  -148.7148.8125.7-108.80000108.8
911A28.1Very low30.9Very low89 Ų89118 Ų11874%0.73669%0.691SS**  trans-134.8146.4179.900000109.5
912T31.6Very low31.1Very low120 Ų120119 Ų11974%0.73669%0.693SS**  trans-178.5127.3136.133.60000108.5
913D35.4Very low31.1Very low154 Ų154118.9 Ų118.982%0.82469%0.692SS**  trans-66.7165.6164.5-51.7-85.3000110.8
914P36.4Very low31Very low112 Ų112117.1 Ų117.173%0.72770%0.698SS**  -146.5140.493.536.4-19.9000116.9
915L28.5Very low30.8Very low145 Ų145118 Ų11876%0.75971%0.708SS**  trans56.9124.6132.6-61174.7000121.9
916T30.7Very low30.8Very low128 Ų128122.3 Ų122.379%0.78572%0.723SS**  trans71.7148137.358.70000120.4
917S28.9Very low30.9Very low91 Ų91122 Ų12264%0.63672%0.721SS**  cis-173.2176.7-22.753.90000110
918I31.2Very low31.1Very low127 Ų127119 Ų11965%0.65172%0.717SS**  trans59.2150.4167.316175.2000116.8
919F31.1Very low30.8Very low84 Ų84118.3 Ų118.337%0.36871%0.711SS.*  cis-136.91305.4-92.9-77.4000107.2S1168F919-S1168 VanDerWaalsContact CE2-OG 3.27Å; F919-S1168 WeakPolarHBondContact CE2-OG 3.46Å
920S31Very low31.2Very low91 Ų91115.4 Ų115.464%0.63670%0.699SS**  77.5162.783.990.70000114.5
921T31.5Very low31.6Very low110 Ų110112.4 Ų112.468%0.67568%0.676SS**  cis-158.91747.9-15.20000111.6
922T33.5Very low31.9Very low124 Ų124113.2 Ų113.276%0.76167%0.672SS**  trans64.3142.3153.148.80000118.7
923S31.3Very low31.9Very low93 Ų93112.8 Ų112.865%0.6567%0.67SS**  cis-159.5141.5-1.3-107.30000108.5
924S29.2Very low31.8Very low106 Ų106112.6 Ų112.674%0.74167%0.668SS**  51.9128.575.182.60000114.3
925A27.8Very low31.5Very low82 Ų82112.2 Ų112.268%0.67867%0.668SS**  cis-167.3-166.8-300000110.2
926F29.2Very low31.8Very low195 Ų195110 Ų11086%0.85566%0.664SS**  trans84.4138.2161.3-74.6-79.3000121.8
927I32.4Very low31.8Very low140 Ų140109.4 Ų109.472%0.71867%0.666SS**  trans82.585.8143.6-69.9164.4000119.2
928T31.8Very low32.1Very low109 Ų109110.5 Ų110.567%0.66967%0.673SS**  52.7127.2126.763.30000122.7
929T33.9Very low31.9Very low108 Ų108109.7 Ų109.766%0.66368%0.679SS**  trans67.9139.7132.6580000122.3T1199T929-T1199 HydrophobicContact CG2-CG2 4.13Å
930T35.6Very low32.4Very low79 Ų79111.3 Ų111.349%0.48570%0.698SS.*  cis179.8160.5-39.6150000109.8S1198 T1199T930-S1198 VanDerWaalsContact CB-O 3.31Å; T930-S1198 WeakPolarHBondContact CB-O 3.39Å; T930-S1198 PolarHBondContact OG1-O 2.81Å; T930-T1199 WeakPolarHBondContact CB-OG1 3.31Å; T930-T1199 PolarHBondContact O-OG1 2.82Å; T930-T1199 VanDerWaalsContact O-OG1 3.05Å; T930-T1199 WeakPolarHBondContact OG1-CG2 2.9Å; T930-T1199 PolarHBondContact OG1-OG1 2.94Å
931T35.1Very low32.4Very low73 Ų73111.8 Ų111.845%0.44870%0.701SS.*  trans57.6168.2159.860.10000119.3T1199T931-T1199 VanDerWaalsContact CG2-N 3.27Å; T931-T1199 PolarHBondContact OG1-N 3.19Å; T931-T1199 PolarHBondContact OG1-O 2.8Å; T931-T1199 PolarHBondContact OG1-OG1 3.09Å
932T33.8Very low32.4Very low106 Ų106110.8 Ų110.865%0.6570%0.699SS**  cis-159.9152-27.634.10000106.1
933T31.6Very low32.2Very low112 Ų112113.1 Ų113.169%0.68771%0.706SS**  174.8179.278.639.50000109.9
934L32.6Very low32.1Very low149 Ų149113.5 Ų113.578%0.7871%0.709SS**  trans89112.6145-83.4165.2000121
935S30.9Very low32Very low105 Ų105113.2 Ų113.273%0.73471%0.707SS**  trans69.2146.4148.323.10000119.3
936S34.3Very low32.1Very low97 Ų97116.1 Ų116.168%0.67872%0.716SS**  cis-166.5146.6-4.942.40000112.3
937S32Very low32Very low117 Ų117112.2 Ų112.282%0.81871%0.713SS**  trans58.8149.5148.461.40000119.7
938S34Very low31.9Very low113 Ų113111.6 Ų111.679%0.7972%0.721SS**  cis-149.4136.413.452.40000113.4
939S26.8Very low31.6Very low110 Ų110112.4 Ų112.477%0.76973%0.731SS**  trans-81.9-163.6153.1-29.90000109.1
940P41.5Very low31.3Very low118 Ų118112.5 Ų112.577%0.76674%0.736SS**  cis-122.3-152.38.236.9-13000110.9
941S32.1Very low31Very low101 Ų101114.1 Ų114.171%0.70675%0.751SS**  cis-169.516714.412.90000109.3
942S31.4Very low30.6Very low90 Ų90115.3 Ų115.363%0.62976%0.762SS**  cis173.7140-30.854.90000109.3
943L28.9Very low30.2Very low172 Ų172121.3 Ų121.390%0.90177%0.773SS**  trans66160.9160.6-56.9157.9000115.5
944S30.3Very low30Very low102 Ų102120.7 Ų120.771%0.71377%0.769SS**  cis-139.5160.61.3610000113.6
945S26.1Very low29.6Very low100 Ų100121.8 Ų121.870%0.69977%0.77SS**  trans-42.1160.3152.251.10000113.7
946T29.7Very low29.5Very low142 Ų142124.8 Ų124.887%0.87178%0.776SS**  -142.1163.167.447.80000116.3
947S26.9Very low29.1Very low114 Ų114125.3 Ų125.380%0.79778%0.78SS**  trans-132153.5170.257.20000110.1
948S30.3Very low28.9Very low127 Ų127126.2 Ų126.289%0.88878%0.78SS**  trans-175.8148142.147.40000111
949S26.5Very low28.4Very low125 Ų125128.8 Ų128.887%0.87478%0.784SS**  trans-127.9159.7174.252.90000109.6
950S26.9Very low28.6Very low110 Ų110129.2 Ų129.277%0.76978%0.783SS**  trans-94.6142.5-179.8520000112.7
951S28.8Very low28.1Very low113 Ų113128.3 Ų128.379%0.7978%0.779SS**  trans-178.8141.9135.3310000114.9
952S28.2Very low27.9Very low98 Ų98131 Ų13169%0.68578%0.78SS**  trans65.6118143.659.70000124.1
953W25.6Very low27.8Very low232 Ų232133.2 Ų133.288%0.87979%0.785SS**  94.6113121-81.544.3000122.4
954T26.2Very low28Very low99 Ų99130.5 Ų130.561%0.60777%0.77SS**  trans72.7127.8132.256.80000122.7
955H25.5Very low28Very low173 Ų173131.2 Ų131.280%0.80177%0.766SS**  trans52.4107153.8-66.3-71.3000119.2
956I27.5Very low28.3Very low167 Ų167131.3 Ų131.386%0.85676%0.763SS**  -148.313386.9-89.2153.1000108.7
957S25.1Very low28.4Very low109 Ų109132.5 Ų132.576%0.76276%0.762SS**  trans-139.6107.2169.6-58.60000108.3
958T28.8Very low28.6Very low136 Ų136133 Ų13383%0.83476%0.761SS**  trans170.275.5153.627.50000110.7
959L24.6Very low28.7Very low167 Ų167132.3 Ų132.387%0.87476%0.756SS**  -88.3147.2123.5-67.1166.4000104.5
960T30.2Very low28.8Very low119 Ų119134.1 Ų134.173%0.7376%0.756SS**  cis-140.9161.238.352.10000114.2
961S30.1Very low28.8Very low99 Ų99133.8 Ų133.869%0.69275%0.753SS**  trans47.5104.8146.558.90000119.3
962H28.6Very low28.9Very low156 Ų156134.4 Ų134.472%0.72275%0.752SS**  trans-59.5152.8139-92.2-69.5000110.1I964H962-I964 WeakPolarHBondContact ND1-CD1 3.47Å
963D28.7Very low28.9Very low138 Ų138135.4 Ų135.474%0.73876%0.755SS**  -137.6144.8123-93.6-49.3000109.5
964I32.9Very low29.2Very low115 Ų115131.7 Ų131.759%0.5975%0.751SS**  trans-143.5130.1179.7-69-179.1000108.7H962 T966H962-I964 WeakPolarHBondContact ND1-CD1 3.47Å; I964-T966 HydrophobicContact CG2-CG2 4.4Å
965N30.3Very low29.3Very low116 Ų116133.7 Ų133.762%0.6276%0.758SS**  trans-165142.7147.3-100.1-10.2000108.7F1072N965-F1072 WeakPolarHBondContact ND2-CZ 3.47Å
966T33.8Very low29.3Very low103 Ų103130 Ų13063%0.63275%0.751SS**  cis174.6135.9-2821.60000105.2I964I964-T966 HydrophobicContact CG2-CG2 4.4Å
967L30.3Very low29.4Very low166 Ų166127.9 Ų127.987%0.86975%0.752SS**  trans-157.498.8154.9-106.5176.7000111.4
968V32.5Very low29.5Very low125 Ų125128 Ų12876%0.75875%0.752SS**  trans41.3114.9140.6-174.80000117.7
969S31.3Very low29.6Very low113 Ų113127.3 Ų127.379%0.7975%0.748SS**  -162.6158.888.9-67.20000113.5
970N29.2Very low29.9Very low162 Ų162124.9 Ų124.987%0.86674%0.74SS**  trans-112.1154.9-168.4-81.7-21000116.6
971S27.9Very low29.8Very low103 Ų103125.5 Ų125.572%0.7274%0.744SS**  trans-16.7143.616259.90000123.2
972T30.6Very low29.8Very low126 Ų126125.2 Ų125.277%0.77375%0.747SS**  trans-163.7119.5133.931.90000107.7
973T27.6Very low29.9Very low119 Ų119124.5 Ų124.573%0.7375%0.749SS**  65.2150.38063.10000116.5
974L31.5Very low30Very low154 Ų154124.2 Ų124.281%0.80675%0.752SS**  trans86142.2179.5-55.1176.7000116
975N28.4Very low29.9Very low142 Ų142123.8 Ų123.876%0.75976%0.76SS**  cis-156.3173.2-29.9-138.23.2000111.9
976S25.7Very low29.9Very low94 Ų94125 Ų12566%0.65777%0.766SS**  trans-53.1140.3176.454.10000117
977S30.2Very low29.8Very low124 Ų124127.6 Ų127.687%0.86777%0.773SS**  -167.2157.4130-83.90000113.2
978S26.4Very low29.6Very low110 Ų110126.1 Ų126.177%0.76977%0.766SS**  trans-81.7172.9-169.446.80000115.9
979V30.7Very low29.4Very low123 Ų123130.3 Ų130.375%0.74578%0.775SS**  trans127.5106.8147.81760000116.2
980T30.6Very low29.1Very low116 Ų116136 Ų13671%0.71278%0.779SS**  trans54.9104.415358.10000123.5
981T28.3Very low29.1Very low132 Ų132134.5 Ų134.581%0.8178%0.775SS**  54.5119.3124.960.90000122.5
982A30.5Very low29.1Very low92 Ų92135.2 Ų135.276%0.7678%0.78SS**  -159.9112.1117.600000113.9
983N29.8Very low29.1Very low142 Ų142135 Ų13576%0.75978%0.779SS**  trans49120.5138.7-60.8-6.2000124
984T31Very low29.1Very low131 Ų131136 Ų13680%0.80478%0.78SS**  trans60.6141.6130.361.90000120.6
985S31.9Very low29.2Very low107 Ų107135.2 Ų135.275%0.74878%0.782SS**  cis-164.3-178.1-5.456.10000107
986N30.8Very low29.4Very low142 Ų142135.5 Ų135.576%0.75978%0.782SS**  cis-164148.315.9-159.2-8.5000109.7
987M30.1Very low29.7Very low156 Ų156139.2 Ų139.277%0.76880%0.795SS**  trans169.9140.4143.7-98.8-62.2-171.500112.5
988N26.5Very low29.5Very low135 Ų135139 Ų13972%0.72278%0.784SS**  trans54.5105.2160.4-60.5-29.2000119.8
989F28.6Very low29.8Very low214 Ų214140.6 Ų140.694%0.93979%0.789SS**  -155.2159.7120.3-114-75.7000110.6
990R24.4Very low29.9Very low232 Ų232138.8 Ų138.888%0.87578%0.782SS**  trans-147.998.1-174.3-173.8-167.6-164.3-152.15111.5
991T28.9Very low30Very low130 Ų130140.4 Ų140.480%0.79879%0.786SS**  trans-177.9117.2158.632.10000112
992S28.8Very low30.1Very low118 Ų118139.4 Ų139.483%0.82578%0.784SS**  trans-178.2123.1152.7-810000103.4
993V29.7Very low29.9Very low123 Ų123144.4 Ų144.475%0.74579%0.789SS**  cis60.189.937.5-166.60000110.5
994D29.1Very low30.4Very low140 Ų140142.9 Ų142.975%0.74979%0.787SS**  -165.6-178.890.1-131.4-43.4000113.4
995T33.2Very low30.4Very low137 Ų137144.3 Ų144.384%0.8479%0.788SS**  trans81.5145.7173.569.50000118.4
996L31.3Very low30.2Very low148 Ų148145.1 Ų145.178%0.77579%0.789SS**  trans-119.5163-161-67.4154.5000111.9
997N33.8Very low30.1Very low171 Ų171146 Ų14691%0.91479%0.793SS**  trans-162.3125.5137-106.2-17.9000110.9
998D26.1Very low30.3Very low120 Ų120143.7 Ų143.764%0.64278%0.783SS**  trans-100.9152.9176.5-73.6-62.1000111.8
999T32.9Very low31.2Very low144 Ų144140.6 Ų140.688%0.88377%0.77SS**  trans173.2141.5151.320.70000107.1
1000S32.5Very low31.3Very low85 Ų85133.7 Ų133.759%0.59474%0.743SS**  cis-155.1159.7-5.349.70000106.7
1001L32.2Very low31.7Very low150 Ų150126.5 Ų126.579%0.78573%0.726SS**  -164.3-174.772.7-88.5171.7000112.3
1002S29.3Very low32.3Very low111 Ų111125.5 Ų125.578%0.77672%0.721SS**  trans-118.9160.4-155.7-54.30000116.9
1003F27.6Very low32.6Very low196 Ų196127.5 Ų127.586%0.8672%0.717SS**  trans-35.7161.1146.3-75.1-82.1000114.4
1004P39.8Very low32.8Very low111 Ų111129 Ų12972%0.72172%0.716SS**  cis-142.3-173.245.742.6-20.3000114.2
1005L30.3Very low32.8Very low160 Ų160127.7 Ų127.784%0.83871%0.713SS**  cis-151.6151.241.7-109.3142.5000113.6
1006T28.1Very low32.5Very low125 Ų125127.5 Ų127.577%0.76771%0.712SS**  trans-118.2144.3173.944.70000111.7
1007L29.2Very low32.4Very low161 Ų161126.3 Ų126.384%0.84371%0.71SS**  trans-146.5136.5152.9-86177.9000108.1
1008L34.5Very low32.1Very low107 Ų107125.3 Ų125.356%0.5670%0.704SS**  trans-158.847.5-159.7-157.580.6000117.2Q216 F217Q216-L1008 VanDerWaalsContact NE2-C 3.25Å; F217-L1008 VanDerWaalsContact CA-O 3.27Å; F217-L1008 WeakPolarHBondContact CA-O 3.29Å; F217-L1008 VanDerWaalsContact CD2-O 3.27Å; F217-L1008 WeakPolarHBondContact CD2-O 3.16Å; F217-L1008 PolarHBondContact N-O 3.28Å
1009P44.7Very low32.2Very low69 Ų69124.5 Ų124.545%0.44871%0.708SS.*  trans-78.1127-162.32-1000124.8V215 Q216 F217V215-P1009 CarbonylContact C-O 2.91Å; V215-P1009 WeakPolarHBondContact CA-O 3.29Å; V215-P1009 WeakPolarHBondContact CB-O 3.31Å; V215-P1009 HydrophobicContact CG2-CB 4.11Å; V215-P1009 VanDerWaalsContact CG2-O 3.31Å; V215-P1009 WeakPolarHBondContact CG2-O 3.33Å; Q216-P1009 CarbonylContact C-O 3.3Å; Q216-P1009 WeakPolarHBondContact CA-O 3.26Å; Q216-P1009 VanDerWaalsContact CB-C 3.45Å; Q216-P1009 WeakPolarHBondContact CB-O 3.41Å; Q216-P1009 HydrophobicContact CG-CB 3.89Å; Q216-P1009 HydrophobicContact CG-CG 3.68Å; Q216-P1009 WeakPolarHBondContact CG-O 3.35Å; Q216-P1009 PolarHBondContact N-O 3.15Å; Q216-P1009 VanDerWaalsContact N-O 3.15Å; Q216-P1009 PolarHBondContact OE1-O 3.38Å; F217-P1009 VanDerWaalsContact CD2-C 3.47Å; F217-P1009 VanDerWaalsContact CD2-CA 3.49Å
1010N30.2Very low32Very low69 Ų69122.9 Ų122.937%0.36970%0.703SS.*  trans60.5133.1155.5-58.3-16000118V215 Q216 F217V215-N1010 CarbonylContact C-O 3.33Å; V215-N1010 HydrophobicContact CB-CB 4.28Å; V215-N1010 VanDerWaalsContact CG1-C 3.47Å; V215-N1010 HydrophobicContact CG1-CB 3.76Å; V215-N1010 WeakPolarHBondContact CG1-O 3.17Å; V215-N1010 HydrophobicContact CG2-CB 3.71Å; Q216-N1010 CarbonylContact C-O 3.53Å; Q216-N1010 VanDerWaalsContact CA-O 3.31Å; Q216-N1010 WeakPolarHBondContact CA-O 3.46Å; Q216-N1010 PolarHBondContact N-O 3.41Å; Q216-N1010 CarbonylContact O-C 3.58Å; F217-N1010 VanDerWaalsContact CB-N 3.26Å; F217-N1010 WeakPolarHBondContact CZ-OD1 3.48Å
1011T34.1Very low32Very low82 Ų82127.9 Ų127.950%0.50372%0.716SS.*  cis96158.933.7630000114.9F217F217-T1011 HydrophobicContact CB-CG2 4.06Å; F217-T1011 HydrophobicContact CD1-CG2 3.2Å; F217-T1011 HydrophobicContact CE1-CG2 3.8Å; F217-T1011 HydrophobicContact CG-CG2 3.89Å
1012P41.2Very low32.1Very low108 Ų108125.5 Ų125.570%0.70171%0.712SS**  cis-141.9-154.9-31.436.9-16.4000113
1013Q34.7Very low32.1Very low160 Ų160128.4 Ų128.475%0.74872%0.718SS**  trans111.1139.8168.4-62.1-170.335.300113.6
1014Q33.3Very low32.3Very low156 Ų156122.7 Ų122.773%0.72971%0.708SS**  cis-154.2176.5-2.8-125.7177.230.300113.2
1015T29.8Very low31.7Very low111 Ų111122.4 Ų122.468%0.68171%0.708SS**  trans-29.8140.5167.938.50000117.7
1016V27.5Very low31.6Very low133 Ų133122 Ų12281%0.80671%0.706SS**  79.7147.660.9175.30000114
1017V28.6Very low31.4Very low123 Ų123121.7 Ų121.775%0.74570%0.704SS**  trans102.593.7174.3-168.80000118.5
1018L28.2Very low31.4Very low150 Ų150119.2 Ų119.279%0.78570%0.7SS**  34.2111.4128.5-61.3168.3000123
1019S26.5Very low31Very low104 Ų104118.9 Ų118.973%0.72771%0.707SS**  84.2143.211776.80000124.1
1020S29.9Very low30.3Very low110 Ų110121.3 Ų121.377%0.76972%0.716SS**  trans82.878.9151.169.60000121.4
1021Q32.7Very low30.4Very low189 Ų189123.5 Ų123.588%0.88373%0.728SS**  -109.1121.7121-74.7-177.92.500106
1022S32.9Very low30.4Very low100 Ų100124.6 Ų124.670%0.69973%0.73SS**  cis90.156.149.579.60000114.3
1023L31.2Very low29.7Very low172 Ų172126.4 Ų126.490%0.90173%0.734SS**  trans-157169.7152.9-111165.7000110.9
1024A30.9Very low29.5Very low77 Ų77123.4 Ų123.464%0.63673%0.731SS**  trans-28.6131.6-17600000116.2
1025S27.8Very low29.3Very low104 Ų104123.3 Ų123.373%0.72774%0.735SS**  49.9106.974.1-570000110.8
1026L26.7Very low29.2Very low151 Ų151125.2 Ų125.279%0.79174%0.742SS**  131.3163.760.4-106.7169.7000105.1
1027T24Very low29.4Very low119 Ų119125.5 Ų125.573%0.7374%0.738SS**  trans-29.8158.4171.550.90000119.5
1028S29.4Very low29.3Very low109 Ų109128 Ų12876%0.76274%0.739SS**  trans85135.2178.874.90000114.6
1029S26.4Very low29.5Very low100 Ų100127.4 Ų127.470%0.69974%0.735SS**  cis127.9169.41.7-790000109.5
1030N31.1Very low29.7Very low120 Ų120127 Ų12764%0.64273%0.732SS**  trans86.8126.3166.1-68.748.1000116.8
1031D31.6Very low29.8Very low115 Ų115126.5 Ų126.562%0.61573%0.729SS**  cis-135.2136.1-7.8-84.3-47.1000111.3
1032N33.5Very low29.9Very low105 Ų105125.6 Ų125.656%0.56173%0.725SS**  cis78.9152.246.5-60.3-32.5000111.5
1033N27.8Very low29.7Very low147 Ų147126.9 Ų126.979%0.78672%0.724SS**  cis-129135.935.8-90.5-57.6000117.7
1034S29.4Very low29.6Very low97 Ų97126.9 Ų126.968%0.67872%0.717SS**  trans-80.3144.2145.7-61.90000109.8
1035N28.9Very low29.4Very low153 Ų153129.5 Ų129.582%0.81872%0.72SS**SBendtrans14.1112.8157-57.4-20.8000120.5
1036N28.5Very low29.6Very low152 Ų152129.9 Ų129.981%0.81372%0.718SS**  trans65.1133.4135.2-83.6-9.6000123.1
1037L30.3Very low30Very low139 Ų139131.1 Ų131.173%0.72872%0.72SS**  trans77.3116.1157.3-85.781.5000121.1
1038F28.5Very low30.3Very low174 Ų174128.8 Ų128.876%0.76371%0.713SS**  trans93.4107.4132.2-89.1-131.6000122.4
1039I31.4Very low30.2Very low138 Ų138132.8 Ų132.871%0.70872%0.717SS**  trans8494.9135.8-60.4-176.7000119.7
1040S30.6Very low30.4Very low96 Ų96135.5 Ų135.567%0.67172%0.722SS**  80.9133.8123.2-162.80000123.2
1041S33.1Very low30.3Very low100 Ų100135 Ų13570%0.69973%0.727SS**  trans64.1145145.547.40000121.2
1042Q33.7Very low30.5Very low170 Ų170134.8 Ų134.879%0.79473%0.733SS**  cis-165.8133.8-31.2-130.2-176.535.100110.4
1043N29.4Very low30.3Very low126 Ų126135.3 Ų135.367%0.67474%0.744SS**  trans49.3113.5149.9-64.5-10000124.5
1044F28Very low30.5Very low173 Ų173133 Ų13376%0.75975%0.746SS**  67110.1126.4-78.2-86.3000124.4
1045N28.3Very low30.6Very low131 Ų131135 Ų13570%0.70175%0.754SS**  24.6139.3120.9-51.8-8.3000121.8
1046T31.3Very low30.7Very low113 Ų113134.1 Ų134.169%0.69375%0.754SS**  -174.6166.6111.422.90000109.5
1047H34.5Very low30.8Very low176 Ų176134.7 Ų134.782%0.81576%0.757SS**  -166.6154.361.5-78.5-83.9000110.9
1048A31.2Very low30.7Very low71 Ų71132.7 Ų132.759%0.58775%0.754SS**SBendcis-160140.2-11.900000110.7
1049F27.8Very low30.6Very low193 Ų193128.5 Ų128.585%0.84675%0.752SS**SBend177.7115.9119.4-108-78.7000109.7
1050I29.4Very low30.4Very low156 Ų156127.7 Ų127.780%0.876%0.758SS**  trans62.4135.7168.5-41.3-179.3000116.5
1051S28.6Very low30.2Very low109 Ų109128 Ų12876%0.76276%0.76SS**  cis-170.6157.9-42.9-95.70000107.2
1052P36.4Very low30.1Very low112 Ų112128 Ų12873%0.72776%0.76SS**  trans-129.1-164-15141.7-26.1000115.9
1053S29.1Very low29.8Very low115 Ų115124.9 Ų124.980%0.80476%0.758SS**  trans101150.5160.9-33.20000116.1
1054A33.1Very low29.8Very low99 Ų99126.5 Ų126.582%0.81876%0.763SS**  cis-146.2166.86.300000112.9
1055T31.2Very low29.8Very low139 Ų139122.4 Ų122.485%0.85376%0.756SS**  trans-128.8141.5178.338.30000113.8
1056T31.1Very low29.9Very low134 Ų134120.6 Ų120.682%0.82275%0.754SS**  trans-157.9156.417147.40000108.2
1057L30.8Very low29.8Very low165 Ų165120.9 Ų120.986%0.86476%0.76SS**  cis-150.6-176.2-18.2-122.3172.9000108.7
1058S27.1Very low29.5Very low96 Ų96117.5 Ų117.567%0.67176%0.756SS**  trans-119.2139.3-168.559.20000116.4
1059A27.2Very low29.2Very low87 Ų87119.6 Ų119.672%0.71977%0.765SS**  trans62.1134.9142.800000122.3
1060S26.2Very low29.4Very low120 Ų120117.4 Ų117.484%0.83977%0.767SS**  trans58.4136.1150.860.40000118.5
1061S27.7Very low29.3Very low102 Ų102114.5 Ų114.571%0.71376%0.761SS**  cis-164.8177.431.854.90000111.3
1062S31.1Very low29.3Very low100 Ų100116.2 Ų116.270%0.69976%0.755SS**  trans61.5126.617051.60000116.4
1063S27.4Very low28.9Very low106 Ų106115.7 Ų115.774%0.74175%0.746SS**  cis62.9138.545.590.20000112.2
1064M29.2Very low28.9Very low159 Ų159116.1 Ų116.178%0.78374%0.739SS**  cis-132.2156.113-69.6-177.260.500110.3
1065S27.7Very low28.6Very low88 Ų88118.3 Ų118.362%0.61574%0.737SS**  43.1151.698.498.90000116
1066S31Very low28.6Very low93 Ų93117.3 Ų117.365%0.6574%0.736SS**  cis-153.4148.826.9-28.10000109.3
1067S28Very low28.4Very low118 Ų118118.7 Ų118.783%0.82574%0.737SS**  67.7155.1100-48.20000114.8
1068S28.1Very low28.5Very low106 Ų106116.3 Ų116.374%0.74173%0.732SS**  cis-153.7164.517.252.70000113.7
1069C24.6Very low28.5Very low115 Ų115116.8 Ų116.878%0.77774%0.735SS**  trans-6147.4152.4-430000120.6
1070V32.2Very low28.8Very low146 Ų146117.7 Ų117.789%0.88573%0.734SS**  -171.7152.1115.2144.50000109.9
1071S27.4Very low28.7Very low96 Ų96116.7 Ų116.767%0.67173%0.727SS**  trans-91.4153.5179-45.60000112.7
1072F29.8Very low28.8Very low144 Ų144119 Ų11963%0.63273%0.73SS**  169.8138.6114.3-103.2-77.9000113.8N965N965-F1072 WeakPolarHBondContact ND2-CZ 3.47Å
1073D26.9Very low28.7Very low102 Ų102119.6 Ų119.655%0.54573%0.734SS.*  trans50.6124.5144.1-83.729.3000126.4
1074N28.6Very low28.9Very low123 Ų123119.5 Ų119.566%0.65873%0.732SS**  81.4122.2128.2-84.6-55.5000123.2
1075N27.4Very low29.1Very low145 Ų145119 Ų11978%0.77573%0.731SS**  trans77.5146.1148.6-72.5-43.2000121.7
1076S31.4Very low29.4Very low118 Ų118121.5 Ų121.583%0.82574%0.738SS**  trans81.9113.3170.1-51.40000117.8
1077L27.1Very low29.4Very low163 Ų163119.8 Ų119.885%0.85374%0.735SS**  trans-54.1162.5144.5-78.487.6000110.5
1078P31.6Very low29.6Very low116 Ų116119.5 Ų119.575%0.75373%0.733SS**  cis-135.7165.91743.7-28.2000116.6
1079S27.2Very low29.8Very low106 Ų106121 Ų12174%0.74173%0.731SS**  trans-67.1176.5153.5-30.70000111
1080P34.4Very low30Very low106 Ų106123 Ų12369%0.68873%0.73SS**  cis-140.4149.70.342.3-24.5000116.8
1081S25Very low30Very low98 Ų98121.3 Ų121.369%0.68572%0.72SS**  58.3162.5127.679.90000124.8
1082I28.2Very low30.2Very low152 Ų152121.1 Ų121.178%0.77972%0.719SS**  trans73.5117.4160.7-55.8164.4000118.3
1083S29.5Very low30.3Very low112 Ų112123.1 Ų123.178%0.78373%0.727SS**  trans-176.7150.9138.831.70000109.2
1084C30.8Very low30.6Very low103 Ų103122.5 Ų122.570%0.69673%0.731SS**  cis-151.8-166-19.7-100.50000105.8
1085L34.4Very low30.6Very low148 Ų148123.8 Ų123.878%0.77574%0.737SS**  cis-164.7161.536.2-66.6158.1000106.1
1086N33.7Very low30.7Very low142 Ų142125.7 Ų125.776%0.75974%0.742SS**  cis-159.4162.4-5.3-110.9-10.7000107.9
1087G30.6Very low30.5Very low56 Ų56125.1 Ų125.158%0.57774%0.738SS**  cis164.3178.4-3.400000112.3
1088S33.6Very low30.8Very low112 Ų112124.4 Ų124.478%0.78374%0.74SS**  trans68132170.4-55.20000117
1089L31Very low30.8Very low137 Ų137124.4 Ų124.472%0.71774%0.738SS**  cis-161.8176.20.4-137.651.7000107
1090E29.7Very low30.9Very low158 Ų158123.8 Ų123.874%0.73873%0.734SS**  cis-149.5-73.47.9-171.9131.9-130.500113.2
1091T32.2Very low30.7Very low110 Ų110123.9 Ų123.968%0.67574%0.737SS**  trans-143.4136.5-160.843.90000112.4
1092S30.8Very low30.9Very low93 Ų93124.6 Ų124.665%0.6574%0.742SS**  75.5140.359.1104.80000113.5
1093K32.3Very low31.1Very low185 Ų185122.9 Ų122.980%0.80474%0.738SS**  cis-163.7142.919.1-134160.7-172.9172.90113.1
1094S32.4Very low31.2Very low90 Ų90127.6 Ų127.663%0.62975%0.745SS**  trans35.1128146.661.60000124.6
1095N28.4Very low31.2Very low149 Ų149125.9 Ų125.980%0.79775%0.745SS**  trans61.8152.2136.9-56.1-7.8000119.4
1096Q30.6Very low31Very low186 Ų186124.5 Ų124.587%0.86975%0.747SS**  cis-150.218013.8-143.6165.624.600111.3
1097S28.1Very low31.4Very low105 Ų105123.3 Ų123.373%0.73475%0.747SS**  trans-98.7139.2-166.155.40000117
1098V31.5Very low31.7Very low148 Ų148128.1 Ų128.190%0.89776%0.759SS**  trans-142.3165154.1-172.40000110.1
1099T32Very low31.5Very low116 Ų116130.8 Ų130.871%0.71276%0.763SS**  trans-92146.9-151.453.60000119.2
1100S29.9Very low32.1Very low94 Ų94129.5 Ų129.566%0.65776%0.764SS**  trans60.2113.313468.60000124.1
1101S29Very low32.3Very low107 Ų107127.1 Ų127.175%0.74876%0.764SS**  79.6131.8119-56.30000124.1
1102S31.1Very low32.6Very low113 Ų113128 Ų12879%0.7977%0.769SS**  trans81.2149.1146.985.70000118.6
1103V32.5Very low32.6Very low116 Ų116128 Ų12870%0.70377%0.769SS**  cis-165.8155.4-10.9120.20000111.6
1104F30.9Very low32.4Very low212 Ų212124.2 Ų124.293%0.9377%0.766SS**  trans59.8154.2172.8-71.7-52.3000118.6
1105G29.5Very low32.2Very low67 Ų67127.6 Ų127.669%0.69178%0.776SS**  cis-165.7164.4-1.500000113.6
1106S31.1Very low32.1Very low119 Ų119125.8 Ų125.883%0.83278%0.775SS**  trans-86.6180-167-40.90000115.3
1107P42.4Very low32Very low117 Ų117122.2 Ų122.276%0.7677%0.771SS**  -151.2-178.394.843.4-27000117.1
1108L36Very low32Very low156 Ų156123.8 Ų123.882%0.81778%0.776SS**  trans72.355.6162.6-58.4-177.3000120.5
1109L29.3Very low31.9Very low168 Ų168124 Ų12488%0.8877%0.77SS**  39.5150.1117.7-68.9171.5000123.9
1110P44.6Very low31.8Very low111 Ų111123.2 Ų123.272%0.72177%0.77SS**  trans-114.3-165.4-17746.3-36.1000113.8
1111S33.3Very low31.6Very low108 Ų108126.8 Ų126.876%0.75578%0.781SS**  trans-155.4148.1159.658.80000111.6
1112V38.1Very low31.6Very low127 Ų127125.6 Ų125.677%0.7779%0.786SS**  cis-151.1135.3-26-94.80000106.3
1113S31Very low31.5Very low94 Ų94125.5 Ų125.566%0.65779%0.785SS**  84.5120.858.6-62.10000112.6
1114S29Very low31.3Very low106 Ų106127 Ų12774%0.74179%0.789SS**  80.8152.456.7-65.90000112.2
1115L28.6Very low31.3Very low161 Ų161123.1 Ų123.184%0.84377%0.772SS**  cis-159.4178.8-2.9-121.9166.7000109.2
1116S25.1Very low31.3Very low110 Ų110126.2 Ų126.277%0.76977%0.773SS**  trans-95135.5166.9-49.60000112.1
1117S29Very low31.4Very low112 Ų112124.9 Ų124.978%0.78376%0.763SS**  trans-175.9112.8137.858.50000114.6
1118V28.5Very low30.9Very low137 Ų137125.1 Ų125.183%0.8376%0.763SS**  trans20.4120.8140.7-164.70000119.5
1119I29Very low30.9Very low153 Ų153124.9 Ų124.979%0.78576%0.762SS**  -173.2139.2120-97.6164.9000111.2
1120S30.1Very low31.1Very low100 Ų100122.4 Ų122.470%0.69976%0.759SS**  trans51.7117.2162.7-66.40000122.9
1121N26.2Very low30.7Very low168 Ų168127.3 Ų127.390%0.89877%0.769SS**  27122.9126.7-55.1-11.2000120.1
1122G27.6Very low30.4Very low82 Ų82127.3 Ų127.385%0.84578%0.776SS**  trans-177.689.4166.600000115
1123S30.9Very low30.1Very low111 Ų111124.4 Ų124.478%0.77677%0.772SS**  trans-57.4133.8-176.5-54.10000116.6
1124N27.4Very low30.1Very low147 Ų147126.8 Ų126.879%0.78678%0.782SS**  trans64.5144.4138.7-79-35000121.8
1125K31Very low30.1Very low132 Ų132129.2 Ų129.257%0.57479%0.786SS**  trans76148.7157.2-72.2174179.3-175.60117.7
1126D30Very low30Very low132 Ų132126.2 Ų126.271%0.70678%0.778SS**  cis-141176.35.3-117.3-33.4000113.5
1127S32.1Very low30.3Very low91 Ų91127 Ų12764%0.63678%0.779SS**  trans-26.5154.8163.452.60000118.2
1128T32.1Very low30.3Very low121 Ų121127.5 Ų127.574%0.74278%0.782SS**  cis-173.9152319.70000109.9
1129N35.1Very low30.6Very low151 Ų151128.3 Ų128.381%0.80778%0.782SS**  -173.8148.6124.7-104.5-23.7000115.5
1130S34.4Very low30.7Very low117 Ų117127.5 Ų127.582%0.81878%0.779SS**  trans60.3126.5157.4-56.90000121
1131K35.5Very low30.8Very low214 Ų214131 Ų13193%0.9379%0.785SS**  trans-89.8167.4176.8-79.4179.9176.2175.10113.6
1132A28.6Very low31Very low108 Ų108130.1 Ų130.189%0.89378%0.775SS**  trans-58163.9176.500000116.2
1133G30.5Very low31.3Very low66 Ų66134.1 Ų134.168%0.6878%0.777SS**  trans-154.547.2-174.300000117.5
1134T32.2Very low31.3Very low143 Ų143134.4 Ų134.488%0.87777%0.77SS**  trans62.5175.2156.142.40000120.7
1135L28.1Very low31.5Very low157 Ų157133 Ų13382%0.82277%0.766SS**  trans-99.9174.9-165.5-82.572.6000114.1
1136S27.4Very low31.6Very low98 Ų98136.9 Ų136.969%0.68578%0.783SS**  trans90102.7137.242.60000121.8
1137T29.7Very low31.6Very low128 Ų128136.3 Ų136.379%0.78579%0.785SS**  75.9125.212657.50000122.9
1138S30.2Very low31.5Very low121 Ų121137.6 Ų137.685%0.84679%0.794SS**  trans90.5134.5140.1-66.20000121.1
1139N33.5Very low31.4Very low154 Ų154138.2 Ų138.282%0.82480%0.797SS**  trans-59.8164.1167.8-73.4-34000113.4
1140N31.6Very low31.2Very low136 Ų136138.1 Ų138.173%0.72780%0.795SS**  cis-177.6-178.9-24-166.5-2.2000106.6
1141Q32Very low31.1Very low175 Ų175139 Ų13982%0.81880%0.795SS**  trans76148.3170-61.7177.1-6.700113.5
1142Q30.8Very low30.6Very low148 Ų148136.2 Ų136.269%0.69279%0.79SS**  cis-151.4148.446.7-171.6170.21.600115.2D1144Q1142-D1144 WeakPolarHBondContact CG-OD2 3.31Å; Q1142-D1144 PolarHBondContact NE2-OD2 2.69Å
1143N33.7Very low31.2Very low166 Ų166136.3 Ų136.389%0.88878%0.781SS**  trans-167.3118150.3-102.5-28.4000109.7
1144D31.1Very low31.2Very low118 Ų118138.5 Ų138.563%0.63179%0.786SS**  trans-86.5-173.9177.9-58.3-84.7000110.4Q1142Q1142-D1144 WeakPolarHBondContact CG-OD2 3.31Å; Q1142-D1144 PolarHBondContact NE2-OD2 2.69Å
1145V31.5Very low31.3Very low116 Ų116136.4 Ų136.470%0.70378%0.783SS**  cis-155.4138.919.7-179.40000110.2
1146K32.7Very low31.4Very low214 Ų214134.8 Ų134.893%0.9378%0.775SS**  trans-164.3137.8132.7-115.3173.4-177.6176.70112.6
1147T30.3Very low31.7Very low121 Ų121137.9 Ų137.974%0.74278%0.776SS**  trans-130.4139.3-157.339.20000114.3
1148S30.1Very low31.7Very low118 Ų118138.2 Ų138.283%0.82577%0.773SS**  trans-178.9146.8152.835.90000110.3
1149V30Very low31.7Very low134 Ų134139.4 Ų139.481%0.81277%0.768SS**  cis-164.3170.7-24.198.40000108.3
1150I30.8Very low31.5Very low148 Ų148136.8 Ų136.876%0.75976%0.762SS**  trans92.4103.2173.2-50.6-162.8000119.3
1151V33.1Very low31.3Very low137 Ų137135.3 Ų135.383%0.8376%0.763SS**  trans81.4125138.8175.80000123.2
1152L25.3Very low31.1Very low155 Ų155137.9 Ų137.981%0.81277%0.765SS**  trans-112.4171.9165-86.2167.5000107.4
1153P40.7Very low30.9Very low110 Ų110137.1 Ų137.171%0.71477%0.766SS**  cis-160.9161.844.443.6-20.4000122
1154S30.7Very low30.5Very low112 Ų112138.2 Ų138.278%0.78376%0.763SS**  trans63.4154.4135.7-64.10000124.8
1155A33.8Very low30.4Very low98 Ų98138.2 Ų138.281%0.8177%0.772SS**  trans78.4137.3155.500000118.7
1156D31.1Very low30.3Very low123 Ų123139.2 Ų139.266%0.65877%0.769SS**  cis-168.2169.3-16.8-154.6-2.8000111.8
1157K33.8Very low30.4Very low163 Ų163134.6 Ų134.671%0.70976%0.761SS**  trans69.5149.7154.6-71.2172-18076.50122.1
1158L29.2Very low30.3Very low136 Ų136131.4 Ų131.471%0.71274%0.744SS**  cis-173.6160-31.7-114.3-169.3000111.2
1159L30.5Very low30.3Very low145 Ų145132.6 Ų132.676%0.75974%0.741SS**  trans63.1169163.7-8790.9000120.3
1160S27.6Very low30.3Very low99 Ų99133.8 Ų133.869%0.69274%0.742SS**  -177.4132.2-56.8-950000114
1161S28.8Very low30.3Very low106 Ų106131 Ų13174%0.74174%0.741SS**  trans15.3131.9146.562.80000124.8
1162R27.6Very low30.1Very low229 Ų229128.6 Ų128.686%0.86474%0.736SS**  trans42.8125.9130.9-86.4-173.5179.5168.6-0.8121.9
1163N26.5Very low30.4Very low132 Ų132129.4 Ų129.471%0.70674%0.735SS**  149.6142.7110-88.6-16.4000118.1
1164F25.6Very low29.9Very low188 Ų188132 Ų13283%0.82574%0.738SS**  trans64.5137.2142.9-90-107.8000124.9
1165S29.7Very low29.8Very low118 Ų118131.7 Ų131.783%0.82574%0.735SS**  trans135.6144.2135.4-57.30000116.8
1166Q27.4Very low29.6Very low137 Ų137131.9 Ų131.964%0.6473%0.731SS**  trans-98.5-174.9176.5-102.3-174.52.900110.7
1167P35.7Very low29.7Very low118 Ų118135.1 Ų135.177%0.76674%0.739SS**  cis-148.7-159.826.945.3-22.1000118.3
1168S28Very low29.4Very low53 Ų53136.9 Ų136.937%0.37174%0.743SS.*  trans-77.5155.9-169.3-25.50000118.5F919F919-S1168 VanDerWaalsContact CE2-OG 3.27Å; F919-S1168 WeakPolarHBondContact CE2-OG 3.46Å
1169N30.8Very low29.4Very low143 Ų143137.4 Ų137.477%0.76574%0.742SS**  165.1166.6105.1-93.8-32.6000117
1170L28.6Very low29.1Very low159 Ų159135.9 Ų135.983%0.83273%0.734SS**  trans-21.9155.2168.6-78.554.8000117.9
1171A30.8Very low29.4Very low91 Ų91137.5 Ų137.575%0.75274%0.739SS**  cis-163.8-179.642.600000115.4
1172A30.6Very low29.5Very low86 Ų86141.2 Ų141.271%0.71174%0.742SS**  trans68.2110.3162.900000117.8
1173Q30.1Very low29.5Very low171 Ų171135.7 Ų135.780%0.79974%0.737SS**  75.9138.698.1-73.2-174.38.600114.4
1174Q31.8Very low29.8Very low165 Ų165141.2 Ų141.277%0.77175%0.748SS**  cis-148.7159.621.1-127.9159.25500113.2
1175S28.7Very low29.9Very low105 Ų105141.1 Ų141.173%0.73474%0.743SS**  trans-76.7170.7165.939.70000111.7
1176S28.5Very low29.8Very low102 Ų102142.3 Ų142.371%0.71374%0.739SS**  cis-169168.9-7.942.60000109.7
1177K32.7Very low29.9Very low192 Ų192141 Ų14184%0.83575%0.745SS**  trans-169.8126.3146.6-102.6160.2-176.9178.50108.4
1178Y28.8Very low29.6Very low199 Ų199146 Ų14678%0.7875%0.75SS**  63.1133.189.8-87.2-119.8000114
1179Q28Very low29.7Very low148 Ų148148.3 Ų148.369%0.69277%0.766SS**  cis-159.6-171.5-7.8-136.6-165.5-3900112.4
1180D24.4Very low29.5Very low113 Ų113147.2 Ų147.260%0.60477%0.769SS**  trans-51.4142.2-170.5-64.4-87.7000119.7
1181V34Very low29.6Very low132 Ų132145.3 Ų145.380%0.877%0.766SS**  trans-140.789.7137.9-176.80000110.1C1183V1181-C1183 VanDerWaalsContact C-N 3.33Å; V1181-C1183 HydrophobicContact CG1-CB 4.34Å; V1181-C1183 PolarHBondContact O-N 3.41Å
1182K30.8Very low29.6Very low185 Ų185146.4 Ų146.480%0.80477%0.768SS**  trans-90.442.8-175-154.3171.5-175.1173.20114.5R1184K1182-R1184 VanDerWaalsContact C-N 3.32Å; K1182-R1184 PolarHBondContact O-N 3.37Å
1183C28.9Very low29.7Very low112 Ų112148.5 Ų148.576%0.75777%0.772SS**  trans-75.473178.8-70.90000113.1V1181 R1185V1181-C1183 VanDerWaalsContact C-N 3.33Å; V1181-C1183 HydrophobicContact CG1-CB 4.34Å; V1181-C1183 PolarHBondContact O-N 3.41Å; C1183-R1185 PolarHBondContact O-N 3.38Å
1184R30.9Very low29.8Very low248 Ų248146.2 Ų146.294%0.93677%0.772SS**  trans-76.287.6178.5-127.9-175.2-170.1-1653.3112.2K1182K1182-R1184 VanDerWaalsContact C-N 3.32Å; K1182-R1184 PolarHBondContact O-N 3.37Å
1185R29.6Very low29.9Very low187 Ų187143.2 Ų143.271%0.70677%0.769SS**  trans-129127165.1-109.2-173.4170.1-160.9-5.8111.4C1183C1183-R1185 PolarHBondContact O-N 3.38Å
1186L27.6Very low30.2Very low143 Ų143145.5 Ų145.575%0.74977%0.772SS**  trans54.972.1152.6-55.7176000117.6Y1188L1186-Y1188 VanDerWaalsContact C-N 3.33Å; L1186-Y1188 PolarHBondContact O-N 3.35Å
1187S28.9Very low30.4Very low110 Ų110146.1 Ų146.177%0.76977%0.773SS**  trans-89.964.8155.661.70000111.1S1189S1187-S1189 VanDerWaalsContact C-N 3.28Å; S1187-S1189 PolarHBondContact O-N 3.2Å
1188Y30Very low30.2Very low221 Ų221141 Ų14187%0.86776%0.762SS**  trans-83.282.6160.6-99.3-73.1000108L1186 C1190L1186-Y1188 VanDerWaalsContact C-N 3.33Å; L1186-Y1188 PolarHBondContact O-N 3.35Å; Y1188-C1190 PolarHBondContact O-N 3.5Å
1189S30Very low30.6Very low103 Ų103133.5 Ų133.572%0.7274%0.736SS**  trans-78.996.7-174.1-52.40000111.4S1187S1187-S1189 VanDerWaalsContact C-N 3.28Å; S1187-S1189 PolarHBondContact O-N 3.2Å
1190C25.8Very low30.9Very low120 Ų120131.4 Ų131.481%0.81173%0.734SS**  trans-75.1126.7158.5-71.60000108.8Y1188Y1188-C1190 PolarHBondContact O-N 3.5Å
1191P31.8Very low31.3Very low119 Ų119133.2 Ų133.277%0.77375%0.749SS**  trans-79.1135.1-174.931.1-34.5000111.8
1192S30.1Very low31.1Very low114 Ų114132.2 Ų132.280%0.79774%0.743SS**  trans-144.594167.1-74.30000109.1P1194S1192-P1194 VanDerWaalsContact O-CD 3.24Å; S1192-P1194 WeakPolarHBondContact O-CD 3.47Å
1193T32.2Very low31.4Very low130 Ų130129.8 Ų129.880%0.79874%0.743SS**  trans-107.495.9177.449.50000110.9
1194P32Very low31.5Very low123 Ų123129.1 Ų129.180%0.79974%0.74SS**  trans-86.8110.8168.232.6-30.3000110.6S1192S1192-P1194 VanDerWaalsContact O-CD 3.24Å; S1192-P1194 WeakPolarHBondContact O-CD 3.47Å
1195S33.4Very low31.5Very low101 Ų101123.4 Ų123.471%0.70673%0.733SS**  trans-137.1132.7175.9-680000108.2
1196I36.4Very low31.8Very low154 Ų154121.4 Ų121.479%0.7974%0.741SS**  cis-151.4151.5-4.4-80.9142.7000105.8
1197P32.6Very low32.2Very low114 Ų114119.3 Ų119.374%0.7474%0.739SS**  trans-135.7147.215137.8-25.9000114.1
1198S29.3Very low32.3Very low86 Ų86119.1 Ų119.160%0.60174%0.738SS**  trans161.9116.3139.3-79.10000114T930T930-S1198 VanDerWaalsContact CB-O 3.31Å; T930-S1198 WeakPolarHBondContact CB-O 3.39Å; T930-S1198 PolarHBondContact OG1-O 2.81Å
1199T36.4Very low32.5Very low40 Ų40113.2 Ų113.225%0.24574%0.735CS.*  -159.8137.9113.127.80000105.5T929 T930 T931T929-T1199 HydrophobicContact CG2-CG2 4.13Å; T930-T1199 WeakPolarHBondContact CB-OG1 3.31Å; T930-T1199 PolarHBondContact O-OG1 2.82Å; T930-T1199 VanDerWaalsContact O-OG1 3.05Å; T930-T1199 WeakPolarHBondContact OG1-CG2 2.9Å; T930-T1199 PolarHBondContact OG1-OG1 2.94Å; T931-T1199 VanDerWaalsContact CG2-N 3.27Å; T931-T1199 PolarHBondContact OG1-N 3.19Å; T931-T1199 PolarHBondContact OG1-O 2.8Å; T931-T1199 PolarHBondContact OG1-OG1 3.09Å
1200T33.4Very low32.6Very low105 Ų105113.4 Ų113.464%0.64474%0.736SS**  57.491.77379.60000115.5
1201V32.5Very low32.8Very low151 Ų151115.6 Ų115.692%0.91574%0.738SS**  -96.1135.1125.7175.80000106.3
1202T29.7Very low32.8Very low111 Ų111118.6 Ų118.668%0.68174%0.742SS**  trans-111.4131.4-172.650.10000112.2
1203V37.2Very low32.8Very low133 Ų133118.1 Ų118.181%0.80674%0.735SS**  trans-139.3117.6154.9-177.70000109.9
1204S31.3Very low32.6Very low98 Ų98118.6 Ų118.669%0.68573%0.731SS**  trans24.4101.1148-480000118.9
1205T31.4Very low32.7Very low128 Ų128118.9 Ų118.979%0.78573%0.73SS**  72.4111.779.961.80000117.4
1206T36.7Very low32.5Very low145 Ų145120.4 Ų120.489%0.8974%0.736SS**  trans-160.8158.2130.2140000112.2
1207S35.8Very low32.4Very low99 Ų99117.7 Ų117.769%0.69273%0.73SS**  trans-47.7143.8178.144.30000115.5
1208S30.6Very low32.4Very low107 Ų107117.9 Ų117.975%0.74873%0.734SS**  cis92.6129.230.480.10000115.8
1209A33.4Very low33Very low97 Ų97120.3 Ų120.380%0.80275%0.746SS**  trans72.8136.6-179.100000116.1
1210S32.7Very low32.9Very low106 Ų106125.5 Ų125.574%0.74177%0.772SS**  cis-160.5150.6-3.9-102.60000113.9
1211L29.2Very low32.7Very low166 Ų166128.9 Ų128.987%0.86978%0.782SS**  trans68.5158.6160.9-69.8170.2000120.4
1212Q32.3Very low32.9Very low183 Ų183127.4 Ų127.486%0.85577%0.773SS**  trans72139.3-172.5-60.8-158.13700114.9
1213T29.9Very low33.3Very low104 Ų104127.1 Ų127.164%0.63877%0.772SS**  cis-158.3150.7-0.8-112.20000112
1214I29Very low32.9Very low139 Ų139126.5 Ų126.571%0.71377%0.772SS**  trans48.3109.2171.1-62.4156.8000118.3
1215V34.3Very low32.9Very low129 Ų129126.9 Ų126.978%0.78277%0.774SS**  -138.4112123.6-178.70000108.5
1216T28.2Very low33.4Very low134 Ų134126.2 Ų126.282%0.82277%0.774SS**  trans-98.7105166.848.40000109.4
1217S34.3Very low33.8Very low97 Ų97129.7 Ų129.768%0.67877%0.771SS**  trans-137.1111.8170.349.20000110T1219S1217-T1219 PolarHBondContact O-N 3.16Å
1218S33.9Very low34.7Very low118 Ų118135 Ų13583%0.82578%0.776SS**PPolyproline II helixtrans-61.3130.5-170.3-480000112.4N1220S1218-N1220 PolarHBondContact O-N 2.85Å
1219T40.6Very low36.9Very low137 Ų137136 Ų13684%0.8476%0.763SS**PPolyproline II helixtrans-59.9121.7167.446.40000109.7S1217 M1221S1217-T1219 PolarHBondContact O-N 3.16Å; T1219-M1221 PolarHBondContact O-N 3.27Å
1220N34.5Very low39.4Very low149 Ų149135 Ų13580%0.79774%0.741SS**PPolyproline II helixtrans-53.5132.3-176.3-78.4-60.5000112.5S1218 V1222S1218-N1220 PolarHBondContact O-N 2.85Å; N1220-V1222 HydrophobicContact CB-CG2 4.41Å; N1220-V1222 PolarHBondContact O-N 3.11Å
1221M28.7Very low42.2Very low175 Ų175136.5 Ų136.586%0.86274%0.737SS**  trans-67.982.2166-82.2-73.6-179.300110T1219 T1223T1219-M1221 PolarHBondContact O-N 3.27Å; M1221-T1223 PolarHBondContact O-N 3.3Å
1222V38.4Very low45.2Very low120 Ų120128.8 Ų128.873%0.72770%0.697SS**  trans-7572.9165.2-174.10000107.9N1220 C1224N1220-V1222 HydrophobicContact CB-CG2 4.41Å; N1220-V1222 PolarHBondContact O-N 3.11Å; V1222-C1224 PolarHBondContact O-N 3.37Å
1223T37.3Very low48.1Very low105 Ų105124.7 Ų124.764%0.64469%0.686SS**  trans-70.278176.3-51.50000109.1M1221 C1225M1221-T1223 PolarHBondContact O-N 3.3Å; T1223-C1225 PolarHBondContact O-N 2.98Å
1224C28.9Very low51Low120 Ų120126.3 Ų126.381%0.81168%0.682SS**  trans-74.741.7-176.9-152.20000112.4V1222V1222-C1224 PolarHBondContact O-N 3.37Å
1225C31.9Very low54.1Low107 Ų107121 Ų12172%0.72366%0.657SS**  trans-148.487-177.8-920000110.4T1223T1223-C1225 PolarHBondContact O-N 2.98Å
1226S40.9Very low56.8Low114 Ų114120.7 Ų120.780%0.79766%0.657SS**  trans-148.5135.1157.2-86.40000109.1
1227R46.2Very low59.7Low217 Ų217120.7 Ų120.782%0.81965%0.646SS**  trans-55.1148.5-175.4-66.3176172.4-176.1-5.3110.6R1229R1227-R1229 PolarHBondContact O-N 3.41Å
1228R54.6Low62.4Low212 Ų212119 Ų11980%0.863%0.633SS**  trans-53.891.6179.6-66.2-171.3-170.2-167.27111.1
1229R76.4Confident64.9Low128 Ų128114.4 Ų114.448%0.48360%0.601SS.*  trans-76.3142.6170.3-69.5-170.8-179.6-86-15.2109.3R1227 Q1231 C1239 E1240R1227-R1229 PolarHBondContact O-N 3.41Å; R1229-Q1231 PolarHBondContact O-N 3.25Å; R1229-C1239 CarbonylContact C-O 3.43Å; R1229-E1240 IonicContact CZ-OE2 2.72Å; R1229-E1240 IonicContact NH1-OE2 3Å; R1229-E1240 PolarHBondContact NH1-OE2 3.15Å; R1229-E1240 IonicContact NH2-OE1 3.16Å; R1229-E1240 IonicContact NH2-OE2 2.76Å; R1229-E1240 PolarHBondContact NH2-OE2 2.94Å
1230H85.3Confident67.3Low74 Ų74113.2 Ų113.234%0.34359%0.586SS.*EExtended strand (participates in β ladder)trans-81.296.6178.4-69.7-79.8000109S1238 C1239 K1242 L1245H1230-S1238 WeakPolarHBondContact O-CA 3.39Å; H1230-C1239 PolarHBondContact N-O 2.89Å; H1230-C1239 PolarHBondContact O-N 3.24Å; H1230-K1242 PolarHBondContact CD2-N 2.68Å; H1230-L1245 HydrophobicContact CB-CB 3.83Å; H1230-L1245 HydrophobicContact CB-CD2 3.68Å; H1230-L1245 HydrophobicContact CB-CG 4.32Å
1231Q90.6Very high69.9Low138 Ų138113.3 Ų113.365%0.64558%0.575SS**EExtended strand (participates in β ladder)trans-74.6141.7-179.8-173.1171.1-4.400112R1229 L1245R1229-Q1231 PolarHBondContact O-N 3.25Å; Q1231-L1245 WeakPolarHBondContact O-CD2 3.37Å
1232C93.4Very high72.9Confident5 Ų5112.1 Ų112.13%0.03457%0.565CS.*  trans-79.4134.2174.8-170.10000111.2Y1234 C1235 K1237 L1245 H1252C1232-Y1234 VanDerWaalsContact C-N 3.25Å; C1232-Y1234 PolarHBondContact O-N 3.27Å; C1232-C1235 WeakPolarHBondContact CB-O 3.27Å; C1232-K1237 WeakPolarHBondContact CB-O 3.31Å; C1232-K1237 PolarHBondContact N-O 3.05Å; C1232-L1245 HydrophobicContact CB-CD1 3.74Å; C1232-H1252 PolarHBondContact SG-NE2 3.49Å
1233P92.2Very high75.4Confident96 Ų96109.8 Ų109.862%0.62355%0.549SS*.SBendtrans-73.5-17.5176.329.5-34.3000113I1249P1233-I1249 HydrophobicContact CG-CD1 4.47Å
1234Y91.9Very high78Confident139 Ų139108.5 Ų108.555%0.54554%0.538SS..SBendtrans-101.5-12.9-174.4-55-67.5000114.3C1232 I1249 H1252 T1253C1232-Y1234 VanDerWaalsContact C-N 3.25Å; C1232-Y1234 PolarHBondContact O-N 3.27Å; Y1234-I1249 HydrophobicContact CD2-CG1 4.48Å; Y1234-I1249 HydrophobicContact CE2-CG2 4.05Å; Y1234-H1252 VanDerWaalsContact CB-CG 3.49Å; Y1234-H1252 HydrophobicContact CD2-CB 3.71Å; Y1234-H1252 AromaticContact CD2-CG 4Å; Y1234-H1252 HydrophobicContact CE2-CB 4.43Å; Y1234-H1252 HydrophobicContact CG-CB 3.9Å; Y1234-H1252 AromaticContact CG-CG 3.99Å; Y1234-H1252 PolarHBondContact O-CE1 3.36Å; Y1234-T1253 HydrophobicContact CE2-CG2 4.39Å
1235C94.2Very high81.1Confident28 Ų28103.8 Ų103.819%0.18951%0.505CS..SBendtrans-160.8164.3174.5810000111.5C1232 K1237 H1248 H1252C1232-C1235 WeakPolarHBondContact CB-O 3.27Å; C1235-K1237 PolarHBondContact O-N 3.47Å; C1235-H1248 PolarHBondContact SG-NE2 2.92Å; C1235-H1252 WeakPolarHBondContact CB-CE1 3.44Å; C1235-H1252 WeakPolarHBondContact CB-NE2 3.48Å; C1235-H1252 VanDerWaalsContact SG-CE1 3.55Å; C1235-H1252 PolarHBondContact SG-NE2 3.29Å
1236P90.9Very high84Confident121 Ų121103.8 Ų103.879%0.78649%0.494SS*.SBendtrans-70.65.4-173.328.5-36.3000115.6
1237K88Confident86.5Confident135 Ų13599 Ų9959%0.58746%0.462SS*.  trans-69.3135.9176.7-68-178.5178.8-179.80110.4C1232 C1235C1232-K1237 WeakPolarHBondContact CB-O 3.31Å; C1232-K1237 PolarHBondContact N-O 3.05Å; C1235-K1237 PolarHBondContact O-N 3.47Å
1238S90.8Very high88.8Confident60 Ų6090 Ų9042%0.4243%0.429SS..EExtended strand (participates in β ladder)trans-122.2131.5168.967.70000111H1230H1230-S1238 WeakPolarHBondContact O-CA 3.39Å
1239C87.9Confident90.6Very high23 Ų2381.9 Ų81.916%0.15540%0.401CS..EExtended strand (participates in β ladder)trans-98.5149-178.3-60.80000110.3R1229 H1230 N1244 L1245R1229-C1239 CarbonylContact C-O 3.43Å; H1230-C1239 PolarHBondContact N-O 2.89Å; H1230-C1239 PolarHBondContact O-N 3.24Å; C1239-N1244 HydrophobicContact CB-CB 4.05Å; C1239-L1245 HydrophobicContact CB-CB 4.03Å
1240E89.5Confident91.5Very high112 Ų11277.4 Ų77.452%0.52338%0.384SS..SBendtrans-73.3-31.8177.7-158.5148.216300113R1229R1229-E1240 IonicContact CZ-OE2 2.72Å; R1229-E1240 IonicContact NH1-OE2 3Å; R1229-E1240 PolarHBondContact NH1-OE2 3.15Å; R1229-E1240 IonicContact NH2-OE1 3.16Å; R1229-E1240 IonicContact NH2-OE2 2.76Å; R1229-E1240 PolarHBondContact NH2-OE2 2.94Å
1241R89.9Confident91.9Very high150 Ų15078.4 Ų78.457%0.56640%0.395SS*.SBendtrans-116.4149.4-178.1-58.8162.353.4131.8-7.4111D1243 N1244 L1245R1241-D1243 WeakPolarHBondContact CB-OD1 3.03Å; R1241-D1243 IonicContact CZ-OD1 3.86Å; R1241-D1243 IonicContact CZ-OD2 3.4Å; R1241-D1243 IonicContact NE-OD1 3.3Å; R1241-D1243 PolarHBondContact NE-OD1 2.77Å; R1241-D1243 IonicContact NE-OD2 3.89Å; R1241-D1243 PolarHBondContact NE-OD2 3.43Å; R1241-D1243 IonicContact NH2-OD1 3.83Å; R1241-D1243 IonicContact NH2-OD2 2.68Å; R1241-D1243 PolarHBondContact NH2-OD2 3.46Å; R1241-N1244 HydrophobicContact CB-CB 4.41Å; R1241-N1244 PolarHBondContact O-N 2.95Å; R1241-L1245 PolarHBondContact O-N 3.38Å; R1241-L1245 VanDerWaalsContact O-N 3.11Å
1242K91.5Very high92.1Very high150 Ų15076.1 Ų76.165%0.65239%0.385SS*.Hα-helixtrans-64.5-37.6179.8-174.9-174.3174.5-1710113.1H1230 L1245 Q1246H1230-K1242 PolarHBondContact CD2-N 2.68Å; K1242-L1245 PolarHBondContact O-N 2.79Å; K1242-Q1246 PolarHBondContact O-N 3.38Å
1243D90.7Very high92.1Very high72 Ų7278.8 Ų78.839%0.38540%0.4SS..Hα-helixtrans-66.4-42.8177.561-22.3000112R1241 L1245 Q1246 A1247R1241-D1243 WeakPolarHBondContact CB-OD1 3.03Å; R1241-D1243 IonicContact CZ-OD1 3.86Å; R1241-D1243 IonicContact CZ-OD2 3.4Å; R1241-D1243 IonicContact NE-OD1 3.3Å; R1241-D1243 PolarHBondContact NE-OD1 2.77Å; R1241-D1243 IonicContact NE-OD2 3.89Å; R1241-D1243 PolarHBondContact NE-OD2 3.43Å; R1241-D1243 IonicContact NH2-OD1 3.83Å; R1241-D1243 IonicContact NH2-OD2 2.68Å; R1241-D1243 PolarHBondContact NH2-OD2 3.46Å; D1243-L1245 VanDerWaalsContact C-N 3.32Å; D1243-L1245 PolarHBondContact O-N 3.45Å; D1243-Q1246 PolarHBondContact O-N 3.28Å; D1243-Q1246 VanDerWaalsContact O-N 3.16Å; D1243-A1247 WeakPolarHBondContact O-CB 3.08Å; D1243-A1247 PolarHBondContact O-N 3.44Å
1244N92.4Very high92.2Very high78 Ų7876 Ų7642%0.41739%0.39SS..Hα-helixtrans-62.1-38.7171.9-76.5-13.6000111.7C1239 R1241 H1248C1239-N1244 HydrophobicContact CB-CB 4.05Å; R1241-N1244 HydrophobicContact CB-CB 4.41Å; R1241-N1244 PolarHBondContact O-N 2.95Å; N1244-H1248 VanDerWaalsContact O-CB 3.32Å; N1244-H1248 WeakPolarHBondContact O-CB 3.01Å; N1244-H1248 PolarHBondContact O-N 3.12Å
1245L93.8Very high92.3Very high21 Ų2174.4 Ų74.411%0.1139%0.387CS..Hα-helixtrans-63.7-46171175.461.2000111.2H1230 Q1231 C1232 C1239 R1241 K1242 D1243 A1247 H1248 I1249H1230-L1245 HydrophobicContact CB-CB 3.83Å; H1230-L1245 HydrophobicContact CB-CD2 3.68Å; H1230-L1245 HydrophobicContact CB-CG 4.32Å; Q1231-L1245 WeakPolarHBondContact O-CD2 3.37Å; C1232-L1245 HydrophobicContact CB-CD1 3.74Å; C1239-L1245 HydrophobicContact CB-CB 4.03Å; R1241-L1245 PolarHBondContact O-N 3.38Å; R1241-L1245 VanDerWaalsContact O-N 3.11Å; K1242-L1245 PolarHBondContact O-N 2.79Å; D1243-L1245 VanDerWaalsContact C-N 3.32Å; D1243-L1245 PolarHBondContact O-N 3.45Å; L1245-A1247 PolarHBondContact O-N 3.44Å; L1245-H1248 CarbonylContact O-C 3.16Å; L1245-H1248 WeakPolarHBondContact O-CA 2.75Å; L1245-H1248 WeakPolarHBondContact O-CB 3.23Å; L1245-H1248 PolarHBondContact O-N 2.89Å; L1245-H1248 VanDerWaalsContact O-N 3.13Å; L1245-I1249 HydrophobicContact CD1-CD1 3.93Å; L1245-I1249 HydrophobicContact CD1-CG1 3.95Å; L1245-I1249 HydrophobicContact CD2-CD1 4.13Å; L1245-I1249 HydrophobicContact CG-CD1 3.78Å; L1245-I1249 HydrophobicContact CG-CG1 4.25Å; L1245-I1249 WeakPolarHBondContact O-CG1 3.25Å; L1245-I1249 PolarHBondContact O-N 2.86Å
1246Q93.5Very high92.3Very high106 Ų10680.5 Ų80.550%0.49541%0.406SS..Hα-helixtrans-63.9-42.7-177.6-169.9177.39.800111.7K1242 D1243 H1248 I1249 R1250K1242-Q1246 PolarHBondContact O-N 3.38Å; D1243-Q1246 PolarHBondContact O-N 3.28Å; D1243-Q1246 VanDerWaalsContact O-N 3.16Å; Q1246-H1248 VanDerWaalsContact C-N 3.29Å; Q1246-H1248 PolarHBondContact O-N 2.9Å; Q1246-I1249 PolarHBondContact O-N 3.19Å; Q1246-R1250 WeakPolarHBondContact O-CG 3.5Å; Q1246-R1250 PolarHBondContact O-N 3.45Å; Q1246-R1250 VanDerWaalsContact O-N 3.16Å
1247A93.3Very high92.5Very high14 Ų1477.7 Ų77.712%0.11639%0.388CS..Hα-helixtrans-63.9-34173.100000112.4D1243 L1245 Q1269D1243-A1247 WeakPolarHBondContact O-CB 3.08Å; D1243-A1247 PolarHBondContact O-N 3.44Å; L1245-A1247 PolarHBondContact O-N 3.44Å; A1247-Q1269 HydrophobicContact CB-CG 3.98Å; A1247-Q1269 VanDerWaalsContact CB-NE2 3.32Å
1248H93.2Very high93Very high27 Ų2774.8 Ų74.813%0.12537%0.374CS..Hα-helixtrans-71-38.4171.8176.431.6000112.7C1235 N1244 L1245 Q1246 R1250 T1251 H1252C1235-H1248 PolarHBondContact SG-NE2 2.92Å; N1244-H1248 VanDerWaalsContact O-CB 3.32Å; N1244-H1248 WeakPolarHBondContact O-CB 3.01Å; N1244-H1248 PolarHBondContact O-N 3.12Å; L1245-H1248 CarbonylContact O-C 3.16Å; L1245-H1248 WeakPolarHBondContact O-CA 2.75Å; L1245-H1248 WeakPolarHBondContact O-CB 3.23Å; L1245-H1248 PolarHBondContact O-N 2.89Å; L1245-H1248 VanDerWaalsContact O-N 3.13Å; Q1246-H1248 VanDerWaalsContact C-N 3.29Å; Q1246-H1248 PolarHBondContact O-N 2.9Å; H1248-R1250 PolarHBondContact O-N 3.34Å; H1248-T1251 PolarHBondContact ND1-OG1 3.44Å; H1248-T1251 VanDerWaalsContact ND1-OG1 3.1Å; H1248-T1251 WeakPolarHBondContact O-CB 3.49Å; H1248-T1251 PolarHBondContact O-N 2.72Å; H1248-T1251 PolarHBondContact O-OG1 3Å; H1248-H1252 AromaticContact CD2-NE2 3.82Å; H1248-H1252 AromaticContact CE1-CD2 3.59Å; H1248-H1252 AromaticContact CE1-NE2 2.66Å; H1248-H1252 PolarHBondContact CE1-NE2 2.82Å; H1248-H1252 AromaticContact ND1-NE2 3.78Å; H1248-H1252 AromaticContact NE2-CD2 3.98Å; H1248-H1252 AromaticContact NE2-NE2 2.65Å; H1248-H1252 PolarHBondContact NE2-NE2 3.22Å
1249I94Very high93.2Very high42 Ų4276.1 Ų76.122%0.21538%0.381CS..Hα-helixtrans-59.3-36.4175.3-78170.2000110.9P1233 Y1234 L1245 Q1246 T1251 H1252 T1253P1233-I1249 HydrophobicContact CG-CD1 4.47Å; Y1234-I1249 HydrophobicContact CD2-CG1 4.48Å; Y1234-I1249 HydrophobicContact CE2-CG2 4.05Å; L1245-I1249 HydrophobicContact CD1-CD1 3.93Å; L1245-I1249 HydrophobicContact CD1-CG1 3.95Å; L1245-I1249 HydrophobicContact CD2-CD1 4.13Å; L1245-I1249 HydrophobicContact CG-CD1 3.78Å; L1245-I1249 HydrophobicContact CG-CG1 4.25Å; L1245-I1249 WeakPolarHBondContact O-CG1 3.25Å; L1245-I1249 PolarHBondContact O-N 2.86Å; Q1246-I1249 PolarHBondContact O-N 3.19Å; I1249-T1251 PolarHBondContact O-N 2.76Å; I1249-H1252 WeakPolarHBondContact O-CA 3.4Å; I1249-H1252 WeakPolarHBondContact O-CB 3.47Å; I1249-H1252 PolarHBondContact O-N 3.3Å; I1249-T1253 HydrophobicContact CG2-CG2 4.15Å; I1249-T1253 PolarHBondContact O-N 3.01Å
1250R95.1Very high93.7Very high35 Ų3575.7 Ų75.713%0.13238%0.378CS..Hα-helixtrans-61.2-21.8172-65.9177.8-177.51523.4114.2Q1246 H1248 H1252 G1254 E1255 P1268Q1246-R1250 WeakPolarHBondContact O-CG 3.5Å; Q1246-R1250 PolarHBondContact O-N 3.45Å; Q1246-R1250 VanDerWaalsContact O-N 3.16Å; H1248-R1250 PolarHBondContact O-N 3.34Å; R1250-H1252 PolarHBondContact O-N 3.27Å; R1250-G1254 WeakPolarHBondContact O-CA 3.46Å; R1250-G1254 PolarHBondContact O-N 2.85Å; R1250-E1255 HydrophobicContact CB-CB 4.33Å; R1250-E1255 HydrophobicContact CG-CB 3.97Å; R1250-P1268 HydrophobicContact CB-CB 4.02Å; R1250-P1268 WeakPolarHBondContact CD-O 3.33Å; R1250-P1268 PolarHBondContact NH1-O 2.9Å
1251T94Very high94Very high95 Ų9579.7 Ų79.758%0.58339%0.388SS*.Hα-helixtrans-75.9-13.8171.8770000113H1248 I1249H1248-T1251 PolarHBondContact ND1-OG1 3.44Å; H1248-T1251 VanDerWaalsContact ND1-OG1 3.1Å; H1248-T1251 WeakPolarHBondContact O-CB 3.49Å; H1248-T1251 PolarHBondContact O-N 2.72Å; H1248-T1251 PolarHBondContact O-OG1 3Å; I1249-T1251 PolarHBondContact O-N 2.76Å
1252H94.7Very high94.3Very high90 Ų9077.5 Ų77.542%0.41738%0.381SS..Hα-helixtrans-99.1-42.9173.9-68.3-76.9000112.1C1232 Y1234 C1235 H1248 I1249 R1250 G1254C1232-H1252 PolarHBondContact SG-NE2 3.49Å; Y1234-H1252 VanDerWaalsContact CB-CG 3.49Å; Y1234-H1252 HydrophobicContact CD2-CB 3.71Å; Y1234-H1252 AromaticContact CD2-CG 4Å; Y1234-H1252 HydrophobicContact CE2-CB 4.43Å; Y1234-H1252 HydrophobicContact CG-CB 3.9Å; Y1234-H1252 AromaticContact CG-CG 3.99Å; Y1234-H1252 PolarHBondContact O-CE1 3.36Å; C1235-H1252 WeakPolarHBondContact CB-CE1 3.44Å; C1235-H1252 WeakPolarHBondContact CB-NE2 3.48Å; C1235-H1252 VanDerWaalsContact SG-CE1 3.55Å; C1235-H1252 PolarHBondContact SG-NE2 3.29Å; H1248-H1252 AromaticContact CD2-NE2 3.82Å; H1248-H1252 AromaticContact CE1-CD2 3.59Å; H1248-H1252 AromaticContact CE1-NE2 2.66Å; H1248-H1252 PolarHBondContact CE1-NE2 2.82Å; H1248-H1252 AromaticContact ND1-NE2 3.78Å; H1248-H1252 AromaticContact NE2-CD2 3.98Å; H1248-H1252 AromaticContact NE2-NE2 2.65Å; H1248-H1252 PolarHBondContact NE2-NE2 3.22Å; I1249-H1252 WeakPolarHBondContact O-CA 3.4Å; I1249-H1252 WeakPolarHBondContact O-CB 3.47Å; I1249-H1252 PolarHBondContact O-N 3.3Å; R1250-H1252 PolarHBondContact O-N 3.27Å; H1252-G1254 VanDerWaalsContact C-N 3.29Å; H1252-G1254 PolarHBondContact O-N 3.38Å
1253T93.3Very high94.5Very high60 Ų6071.6 Ų71.637%0.36836%0.358SS..Hα-helixtrans-77.2-15177.364.10000113.2Y1234 I1249 E1255Y1234-T1253 HydrophobicContact CE2-CG2 4.39Å; I1249-T1253 HydrophobicContact CG2-CG2 4.15Å; I1249-T1253 PolarHBondContact O-N 3.01Å; T1253-E1255 PolarHBondContact O-N 2.9Å; T1253-E1255 WeakPolarHBondContact OG1-CB 2.92Å; T1253-E1255 WeakPolarHBondContact OG1-CG 3.43Å; T1253-E1255 PolarHBondContact OG1-OE1 3.36Å; T1253-E1255 VanDerWaalsContact OG1-OE1 3.13Å
1254G92.7Very high94.8Very high39 Ų3974.9 Ų74.940%0.40238%0.383SS..  trans74.9-0.7-17600000114.3R1250 H1252 R1256R1250-G1254 WeakPolarHBondContact O-CA 3.46Å; R1250-G1254 PolarHBondContact O-N 2.85Å; H1252-G1254 VanDerWaalsContact C-N 3.29Å; H1252-G1254 PolarHBondContact O-N 3.38Å; G1254-R1256 PolarHBondContact O-N 3.19Å
1255E94.4Very high95Very high104 Ų10477.6 Ų77.649%0.48639%0.391SS..  trans-55.4127.4-177.5-84.6170.1-134.700113.1R1250 T1253 P1257R1250-E1255 HydrophobicContact CB-CB 4.33Å; R1250-E1255 HydrophobicContact CG-CB 3.97Å; T1253-E1255 PolarHBondContact O-N 2.9Å; T1253-E1255 WeakPolarHBondContact OG1-CB 2.92Å; T1253-E1255 WeakPolarHBondContact OG1-CG 3.43Å; T1253-E1255 PolarHBondContact OG1-OE1 3.36Å; T1253-E1255 VanDerWaalsContact OG1-OE1 3.13Å; E1255-P1257 VanDerWaalsContact C-CD 3.5Å; E1255-P1257 WeakPolarHBondContact O-CD 3.29Å
1256R95.3Very high95.1Very high157 Ų15777.8 Ų77.859%0.59240%0.396SS*.  trans-125.770.4-179.9-76.5168153.295.1-3.9110.7G1254 Y1258 A1266 F1267G1254-R1256 PolarHBondContact O-N 3.19Å; R1256-Y1258 PolarHBondContact O-N 3.4Å; R1256-Y1258 VanDerWaalsContact O-N 3.12Å; R1256-A1266 HydrophobicContact CB-CB 3.65Å; R1256-A1266 WeakPolarHBondContact CD-O 3.32Å; R1256-A1266 WeakPolarHBondContact CG-O 3.47Å; R1256-A1266 PolarHBondContact NE-O 3.35Å; R1256-A1266 VanDerWaalsContact NE-O 3.12Å; R1256-A1266 WeakPolarHBondContact O-CB 3.06Å; R1256-F1267 CarbonylContact C-O 3.52Å; R1256-F1267 VanDerWaalsContact C-O 3.3Å; R1256-F1267 WeakPolarHBondContact CA-O 3.45Å
1257P94.8Very high95.2Very high62 Ų6274.7 Ų74.740%0.40338%0.381SS..  trans-72.4-1.1-17329.8-36000114.8E1255 P1259E1255-P1257 VanDerWaalsContact C-CD 3.5Å; E1255-P1257 WeakPolarHBondContact O-CD 3.29Å; P1257-P1259 VanDerWaalsContact C-CD 3.5Å; P1257-P1259 WeakPolarHBondContact O-CD 3.39Å
1258Y97.2Very high95.3Very high74 Ų7475.4 Ų75.429%0.2939%0.385SS..EExtended strand (participates in β ladder)trans-11282.9177.8-53.2-71.6000110.7R1256 A1266 F1267 P1268 K1270R1256-Y1258 PolarHBondContact O-N 3.4Å; R1256-Y1258 VanDerWaalsContact O-N 3.12Å; Y1258-A1266 WeakPolarHBondContact O-CA 3.47Å; Y1258-F1267 WeakPolarHBondContact CD2-O 3.38Å; Y1258-F1267 PolarHBondContact N-O 3.19Å; Y1258-F1267 VanDerWaalsContact N-O 3.14Å; Y1258-F1267 PolarHBondContact O-N 3.31Å; Y1258-P1268 WeakPolarHBondContact CE2-O 3.39Å; Y1258-K1270 HydrophobicContact CD1-CB 4.28Å; Y1258-K1270 HydrophobicContact CE1-CB 4.07Å
1259P96.7Very high95.4Very high88 Ų8877.1 Ų77.157%0.57139%0.393SS*.EExtended strand (participates in β ladder)trans-70.8148.217630.4-35.6000112P1257 A1266 L1273P1257-P1259 VanDerWaalsContact C-CD 3.5Å; P1257-P1259 WeakPolarHBondContact O-CD 3.39Å; P1259-A1266 HydrophobicContact CB-CB 4.24Å; P1259-L1273 WeakPolarHBondContact O-CD2 3.42Å
1260C97.5Very high95.4Very high13 Ų1380.2 Ų80.29%0.08841%0.405CS..  trans-83.3135.1171.1-170.90000111.3Y1262 C1263 K1265 L1273 H1276 H1280C1260-Y1262 PolarHBondContact O-N 3.43Å; C1260-C1263 WeakPolarHBondContact CB-O 3.23Å; C1260-K1265 WeakPolarHBondContact CB-O 3.2Å; C1260-K1265 PolarHBondContact N-O 3.29Å; C1260-L1273 HydrophobicContact CB-CD1 3.85Å; C1260-H1276 VanDerWaalsContact SG-CD2 3.52Å; C1260-H1276 PolarHBondContact SG-NE2 3.12Å; C1260-H1276 VanDerWaalsContact SG-NE2 3.43Å; C1260-H1280 PolarHBondContact SG-NE2 2.21Å
1261R96.4Very high95.3Very high196 Ų19682.8 Ų82.874%0.7442%0.421SS*.SBendtrans-75.8-6.217672.2-178.8-177.6-165.3-0.5114.5
1262Y95.8Very high95.4Very high104 Ų10482.7 Ų82.741%0.40841%0.414SS..SBendtrans-113.4-13.9-175.2-60.4-75000113.8C1260 I1277 H1280C1260-Y1262 PolarHBondContact O-N 3.43Å; Y1262-I1277 HydrophobicContact CD2-CG1 4.41Å; Y1262-I1277 HydrophobicContact CE2-CG1 4.45Å; Y1262-I1277 HydrophobicContact CE2-CG2 4.02Å; Y1262-H1280 VanDerWaalsContact CB-CG 3.49Å; Y1262-H1280 HydrophobicContact CD2-CB 3.91Å; Y1262-H1280 HydrophobicContact CE2-CB 4.5Å; Y1262-H1280 HydrophobicContact CG-CB 3.93Å; Y1262-H1280 AromaticContact CG-CG 3.94Å; Y1262-H1280 PolarHBondContact O-CE1 2.92Å
1263C96.6Very high95.5Very high27 Ų2779.6 Ų79.618%0.18240%0.4CS..SBendtrans-161.4161.8175.6740000110.4C1260 K1265 H1276 H1280C1260-C1263 WeakPolarHBondContact CB-O 3.23Å; C1263-K1265 PolarHBondContact O-N 2.53Å; C1263-H1276 PolarHBondContact SG-NE2 2.89Å; C1263-H1280 WeakPolarHBondContact CB-CE1 3.5Å; C1263-H1280 PolarHBondContact SG-CE1 2.65Å; C1263-H1280 PolarHBondContact SG-NE2 3.24Å
1264P95.5Very high95.6Very high140 Ų14082.5 Ų82.591%0.90941%0.405SS*.SBendtrans-70.210.5-175.629.1-37000115.3
1265K96.3Very high95.8Very high135 Ų13581.6 Ų81.659%0.58739%0.393SS*.  trans-77.1131.8176.1-66-172.7177.3-174.40110.4C1260 C1263 F1267C1260-K1265 WeakPolarHBondContact CB-O 3.2Å; C1260-K1265 PolarHBondContact N-O 3.29Å; C1263-K1265 PolarHBondContact O-N 2.53Å; K1265-F1267 HydrophobicContact CB-CE2 3.9Å; K1265-F1267 HydrophobicContact CB-CZ 4.01Å
1266A96.6Very high95.9Very high26 Ų2677.8 Ų77.822%0.21538%0.375CS..EExtended strand (participates in β ladder)trans-123.4154.2174.500000111.5R1256 Y1258 P1259R1256-A1266 HydrophobicContact CB-CB 3.65Å; R1256-A1266 WeakPolarHBondContact CD-O 3.32Å; R1256-A1266 WeakPolarHBondContact CG-O 3.47Å; R1256-A1266 PolarHBondContact NE-O 3.35Å; R1256-A1266 VanDerWaalsContact NE-O 3.12Å; R1256-A1266 WeakPolarHBondContact O-CB 3.06Å; Y1258-A1266 WeakPolarHBondContact O-CA 3.47Å; P1259-A1266 HydrophobicContact CB-CB 4.24Å
1267F96.6Very high96Very high40 Ų4072.2 Ų72.218%0.17536%0.357CS..EExtended strand (participates in β ladder)trans-127.9152-167.5-61.5-91.9000112.4R1256 Y1258 K1265 H1272 L1273 H1276R1256-F1267 CarbonylContact C-O 3.52Å; R1256-F1267 VanDerWaalsContact C-O 3.3Å; R1256-F1267 WeakPolarHBondContact CA-O 3.45Å; Y1258-F1267 WeakPolarHBondContact CD2-O 3.38Å; Y1258-F1267 PolarHBondContact N-O 3.19Å; Y1258-F1267 VanDerWaalsContact N-O 3.14Å; Y1258-F1267 PolarHBondContact O-N 3.31Å; K1265-F1267 HydrophobicContact CB-CE2 3.9Å; K1265-F1267 HydrophobicContact CB-CZ 4.01Å; F1267-H1272 HydrophobicContact CB-CB 4.09Å; F1267-H1272 HydrophobicContact CD1-CB 3.87Å; F1267-H1272 HydrophobicContact CG-CB 4.24Å; F1267-L1273 HydrophobicContact CB-CB 4.38Å; F1267-L1273 HydrophobicContact CD2-CB 4.2Å; F1267-L1273 HydrophobicContact CD2-CD1 4.1Å; F1267-L1273 HydrophobicContact CE2-CD1 4.43Å; F1267-L1273 HydrophobicContact CG-CB 4.47Å; F1267-H1276 HydrophobicContact CE1-CB 4.11Å; F1267-H1276 HydrophobicContact CE2-CB 3.95Å; F1267-H1276 AromaticContact CE2-CD2 3.23Å; F1267-H1276 WeakPolarHBondContact CE2-CD2 3.38Å; F1267-H1276 AromaticContact CE2-CG 3.67Å; F1267-H1276 HydrophobicContact CZ-CB 3.6Å; F1267-H1276 AromaticContact CZ-CD2 3.39Å; F1267-H1276 WeakPolarHBondContact CZ-CD2 3.46Å; F1267-H1276 AromaticContact CZ-CG 3.37Å
1268P94.2Very high96Very high30 Ų3072.2 Ų72.220%0.19535%0.349CS..SBendtrans-81-13.7178.732.6-36000114.1R1250 Y1258R1250-P1268 HydrophobicContact CB-CB 4.02Å; R1250-P1268 WeakPolarHBondContact CD-O 3.33Å; R1250-P1268 PolarHBondContact NH1-O 2.9Å; Y1258-P1268 WeakPolarHBondContact CE2-O 3.39Å
1269Q95Very high95.9Very high62 Ų6273.3 Ų73.329%0.2936%0.364SS..SBendtrans-135.2146.1179.8-69.3-171.4-33.600112.6A1247 D1271 H1272 L1273A1247-Q1269 HydrophobicContact CB-CG 3.98Å; A1247-Q1269 VanDerWaalsContact CB-NE2 3.32Å; Q1269-D1271 VanDerWaalsContact C-N 3.31Å; Q1269-D1271 PolarHBondContact O-N 3.3Å; Q1269-H1272 PolarHBondContact O-N 2.78Å; Q1269-H1272 PolarHBondContact OE1-CE1 3.43Å; Q1269-H1272 VanDerWaalsContact OE1-CE1 3.27Å; Q1269-H1272 PolarHBondContact OE1-NE2 2.62Å; Q1269-L1273 PolarHBondContact O-N 3.11Å
1270K95.5Very high95.9Very high107 Ų10773.2 Ų73.247%0.46536%0.355SS..Hα-helixtrans-60.5-37.3-179.6-172.2175.7-179.91790112.1Y1258 L1273 R1274Y1258-K1270 HydrophobicContact CD1-CB 4.28Å; Y1258-K1270 HydrophobicContact CE1-CB 4.07Å; K1270-L1273 WeakPolarHBondContact O-CB 3.19Å; K1270-L1273 PolarHBondContact O-N 3.37Å; K1270-R1274 WeakPolarHBondContact O-CG 3.13Å; K1270-R1274 PolarHBondContact O-N 3.49Å
1271D93Very high95.8Very high89 Ų8975.2 Ų75.248%0.47637%0.367SS..Hα-helixtrans-79-26.6-176.8-55.1-62.2000113.5Q1269 R1274 A1275Q1269-D1271 VanDerWaalsContact C-N 3.31Å; Q1269-D1271 PolarHBondContact O-N 3.3Å; D1271-R1274 PolarHBondContact O-N 2.75Å; D1271-R1274 VanDerWaalsContact OD1-CD 3.23Å; D1271-R1274 WeakPolarHBondContact OD1-CD 3.44Å; D1271-R1274 IonicContact OD1-CZ 3.74Å; D1271-R1274 IonicContact OD1-NE 3.9Å; D1271-R1274 IonicContact OD1-NH1 2.79Å; D1271-R1274 PolarHBondContact OD1-NH1 3.46Å; D1271-A1275 VanDerWaalsContact O-CB 3.25Å; D1271-A1275 WeakPolarHBondContact O-CB 3.33Å; D1271-A1275 PolarHBondContact O-N 3.43Å
1272H95.2Very high95.6Very high93 Ų9368.1 Ų68.143%0.43136%0.355SS..Hα-helixtrans-64.6-41.7166.1-64-5.8000110.8F1267 Q1269 A1275 H1276F1267-H1272 HydrophobicContact CB-CB 4.09Å; F1267-H1272 HydrophobicContact CD1-CB 3.87Å; F1267-H1272 HydrophobicContact CG-CB 4.24Å; Q1269-H1272 PolarHBondContact O-N 2.78Å; Q1269-H1272 PolarHBondContact OE1-CE1 3.43Å; Q1269-H1272 VanDerWaalsContact OE1-CE1 3.27Å; Q1269-H1272 PolarHBondContact OE1-NE2 2.62Å; H1272-A1275 PolarHBondContact O-N 3.46Å; H1272-H1276 VanDerWaalsContact O-CB 3.29Å; H1272-H1276 WeakPolarHBondContact O-CB 3.45Å; H1272-H1276 PolarHBondContact O-N 2.86Å
1273L96.9Very high95.6Very high26 Ų2668.2 Ų68.214%0.13636%0.359CS..Hα-helixtrans-62.9-46.6172.7172.962000111.6P1259 C1260 F1267 Q1269 K1270 A1275 H1276 I1277P1259-L1273 WeakPolarHBondContact O-CD2 3.42Å; C1260-L1273 HydrophobicContact CB-CD1 3.85Å; F1267-L1273 HydrophobicContact CB-CB 4.38Å; F1267-L1273 HydrophobicContact CD2-CB 4.2Å; F1267-L1273 HydrophobicContact CD2-CD1 4.1Å; F1267-L1273 HydrophobicContact CE2-CD1 4.43Å; F1267-L1273 HydrophobicContact CG-CB 4.47Å; Q1269-L1273 PolarHBondContact O-N 3.11Å; K1270-L1273 WeakPolarHBondContact O-CB 3.19Å; K1270-L1273 PolarHBondContact O-N 3.37Å; L1273-A1275 PolarHBondContact O-N 2.88Å; L1273-H1276 PolarHBondContact O-N 3.47Å; L1273-I1277 HydrophobicContact CD1-CD1 3.86Å; L1273-I1277 HydrophobicContact CD1-CG1 3.95Å; L1273-I1277 HydrophobicContact CD2-CD1 4.47Å; L1273-I1277 HydrophobicContact CG-CD1 3.87Å; L1273-I1277 HydrophobicContact CG-CG1 4.4Å; L1273-I1277 WeakPolarHBondContact O-CG1 3.48Å; L1273-I1277 PolarHBondContact O-N 2.89Å
1274R96.5Very high95.5Very high121 Ų12173 Ų7346%0.45738%0.377SS..Hα-helixtrans-56.3-47.5175.2-75.5164152.4178.7-11.5111.6K1270 D1271 H1276 I1277 R1278K1270-R1274 WeakPolarHBondContact O-CG 3.13Å; K1270-R1274 PolarHBondContact O-N 3.49Å; D1271-R1274 PolarHBondContact O-N 2.75Å; D1271-R1274 VanDerWaalsContact OD1-CD 3.23Å; D1271-R1274 WeakPolarHBondContact OD1-CD 3.44Å; D1271-R1274 IonicContact OD1-CZ 3.74Å; D1271-R1274 IonicContact OD1-NE 3.9Å; D1271-R1274 IonicContact OD1-NH1 2.79Å; D1271-R1274 PolarHBondContact OD1-NH1 3.46Å; R1274-H1276 VanDerWaalsContact C-N 3.31Å; R1274-H1276 PolarHBondContact O-N 3.46Å; R1274-I1277 PolarHBondContact O-N 3.3Å; R1274-R1278 PolarHBondContact O-N 3.01Å
1275A95.9Very high95.5Very high20 Ų2069.8 Ų69.817%0.16536%0.356CS..Hα-helixtrans-66.4-31.4178.600000113D1271 H1272 L1273 Q1297D1271-A1275 VanDerWaalsContact O-CB 3.25Å; D1271-A1275 WeakPolarHBondContact O-CB 3.33Å; D1271-A1275 PolarHBondContact O-N 3.43Å; H1272-A1275 PolarHBondContact O-N 3.46Å; L1273-A1275 PolarHBondContact O-N 2.88Å; A1275-Q1297 HydrophobicContact CB-CG 4.22Å
1276H96.3Very high95.5Very high23 Ų2366.7 Ų66.711%0.10634%0.341CS..Hα-helixtrans-75.6-37173.2172.451.1000113.2C1260 C1263 F1267 H1272 L1273 R1274 R1278 T1279 H1280C1260-H1276 VanDerWaalsContact SG-CD2 3.52Å; C1260-H1276 PolarHBondContact SG-NE2 3.12Å; C1260-H1276 VanDerWaalsContact SG-NE2 3.43Å; C1263-H1276 PolarHBondContact SG-NE2 2.89Å; F1267-H1276 HydrophobicContact CE1-CB 4.11Å; F1267-H1276 HydrophobicContact CE2-CB 3.95Å; F1267-H1276 AromaticContact CE2-CD2 3.23Å; F1267-H1276 WeakPolarHBondContact CE2-CD2 3.38Å; F1267-H1276 AromaticContact CE2-CG 3.67Å; F1267-H1276 HydrophobicContact CZ-CB 3.6Å; F1267-H1276 AromaticContact CZ-CD2 3.39Å; F1267-H1276 WeakPolarHBondContact CZ-CD2 3.46Å; F1267-H1276 AromaticContact CZ-CG 3.37Å; H1272-H1276 VanDerWaalsContact O-CB 3.29Å; H1272-H1276 WeakPolarHBondContact O-CB 3.45Å; H1272-H1276 PolarHBondContact O-N 2.86Å; L1273-H1276 PolarHBondContact O-N 3.47Å; R1274-H1276 VanDerWaalsContact C-N 3.31Å; R1274-H1276 PolarHBondContact O-N 3.46Å; H1276-R1278 PolarHBondContact O-N 2.9Å; H1276-T1279 PolarHBondContact ND1-OG1 3.23Å; H1276-T1279 WeakPolarHBondContact O-CB 3.49Å; H1276-T1279 PolarHBondContact O-N 3.2Å; H1276-T1279 PolarHBondContact O-OG1 3.16Å; H1276-H1280 AromaticContact CD2-NE2 3.4Å; H1276-H1280 PolarHBondContact CD2-NE2 2.91Å; H1276-H1280 AromaticContact CE1-CD2 3.63Å; H1276-H1280 AromaticContact CE1-NE2 2.53Å; H1276-H1280 PolarHBondContact CE1-NE2 3.14Å; H1276-H1280 AromaticContact ND1-NE2 3.7Å; H1276-H1280 AromaticContact NE2-CD2 3.59Å; H1276-H1280 AromaticContact NE2-NE2 2.21Å; H1276-H1280 PolarHBondContact NE2-NE2 3.12Å
1277I96.7Very high95.5Very high40 Ų4074.2 Ų74.221%0.20536%0.364CS..Hα-helixtrans-57.3-34.5176-77.4167.5000110.9Y1262 L1273 R1274 T1279 H1280 T1281Y1262-I1277 HydrophobicContact CD2-CG1 4.41Å; Y1262-I1277 HydrophobicContact CE2-CG1 4.45Å; Y1262-I1277 HydrophobicContact CE2-CG2 4.02Å; L1273-I1277 HydrophobicContact CD1-CD1 3.86Å; L1273-I1277 HydrophobicContact CD1-CG1 3.95Å; L1273-I1277 HydrophobicContact CD2-CD1 4.47Å; L1273-I1277 HydrophobicContact CG-CD1 3.87Å; L1273-I1277 HydrophobicContact CG-CG1 4.4Å; L1273-I1277 WeakPolarHBondContact O-CG1 3.48Å; L1273-I1277 PolarHBondContact O-N 2.89Å; R1274-I1277 PolarHBondContact O-N 3.3Å; I1277-T1279 PolarHBondContact O-N 2.9Å; I1277-H1280 WeakPolarHBondContact O-CA 3.34Å; I1277-H1280 WeakPolarHBondContact O-CB 3.38Å; I1277-H1280 PolarHBondContact O-N 2.85Å; I1277-T1281 HydrophobicContact CG2-CG2 4.22Å; I1277-T1281 PolarHBondContact O-N 2.77Å; I1277-T1281 PolarHBondContact O-OG1 2.66Å
1278R96.3Very high95.5Very high63 Ų6372.4 Ų72.424%0.23836%0.356CS..Hα-helixtrans-63.6-18.3173.2-65.1179.3-177.7153.71.5114.6R1274 H1276 H1280 T1281 G1282 E1283 Y1286 A1296R1274-R1278 PolarHBondContact O-N 3.01Å; H1276-R1278 PolarHBondContact O-N 2.9Å; R1278-H1280 VanDerWaalsContact C-N 3.3Å; R1278-T1281 WeakPolarHBondContact CA-OG1 3.45Å; R1278-G1282 WeakPolarHBondContact O-CA 3.43Å; R1278-G1282 PolarHBondContact O-N 3.1Å; R1278-E1283 HydrophobicContact CG-CB 4.24Å; R1278-Y1286 PolarHBondContact NH1-OH 3.2Å; R1278-A1296 HydrophobicContact CB-CB 4.02Å; R1278-A1296 WeakPolarHBondContact CD-O 3.47Å; R1278-A1296 PolarHBondContact NH1-O 2.79Å
1279T95.5Very high95.6Very high97 Ų9776 Ų7660%0.59538%0.38SS*.Hα-helixtrans-79-14.8170.475.90000112.8H1276 I1277H1276-T1279 PolarHBondContact ND1-OG1 3.23Å; H1276-T1279 WeakPolarHBondContact O-CB 3.49Å; H1276-T1279 PolarHBondContact O-N 3.2Å; H1276-T1279 PolarHBondContact O-OG1 3.16Å; I1277-T1279 PolarHBondContact O-N 2.9Å
1280H96.2Very high95.6Very high86 Ų8678.4 Ų78.440%0.39839%0.391SS..Hα-helixtrans-95.7-41.5173.1-67.8-78.3000112.2C1260 Y1262 C1263 H1276 I1277 R1278 G1282C1260-H1280 PolarHBondContact SG-NE2 2.21Å; Y1262-H1280 VanDerWaalsContact CB-CG 3.49Å; Y1262-H1280 HydrophobicContact CD2-CB 3.91Å; Y1262-H1280 HydrophobicContact CE2-CB 4.5Å; Y1262-H1280 HydrophobicContact CG-CB 3.93Å; Y1262-H1280 AromaticContact CG-CG 3.94Å; Y1262-H1280 PolarHBondContact O-CE1 2.92Å; C1263-H1280 WeakPolarHBondContact CB-CE1 3.5Å; C1263-H1280 PolarHBondContact SG-CE1 2.65Å; C1263-H1280 PolarHBondContact SG-NE2 3.24Å; H1276-H1280 AromaticContact CD2-NE2 3.4Å; H1276-H1280 PolarHBondContact CD2-NE2 2.91Å; H1276-H1280 AromaticContact CE1-CD2 3.63Å; H1276-H1280 AromaticContact CE1-NE2 2.53Å; H1276-H1280 PolarHBondContact CE1-NE2 3.14Å; H1276-H1280 AromaticContact ND1-NE2 3.7Å; H1276-H1280 AromaticContact NE2-CD2 3.59Å; H1276-H1280 AromaticContact NE2-NE2 2.21Å; H1276-H1280 PolarHBondContact NE2-NE2 3.12Å; I1277-H1280 WeakPolarHBondContact O-CA 3.34Å; I1277-H1280 WeakPolarHBondContact O-CB 3.38Å; I1277-H1280 PolarHBondContact O-N 2.85Å; R1278-H1280 VanDerWaalsContact C-N 3.3Å; H1280-G1282 VanDerWaalsContact C-N 3.31Å
1281T94.5Very high95.6Very high55 Ų5575.6 Ų75.634%0.33738%0.384SS..Hα-helixtrans-77.5-17176.460.10000113.1I1277 R1278 E1283I1277-T1281 HydrophobicContact CG2-CG2 4.22Å; I1277-T1281 PolarHBondContact O-N 2.77Å; I1277-T1281 PolarHBondContact O-OG1 2.66Å; R1278-T1281 WeakPolarHBondContact CA-OG1 3.45Å; T1281-E1283 PolarHBondContact O-N 3.25Å; T1281-E1283 WeakPolarHBondContact OG1-CB 3.38Å; T1281-E1283 VanDerWaalsContact OG1-CG 3.31Å; T1281-E1283 WeakPolarHBondContact OG1-CG 3.48Å; T1281-E1283 PolarHBondContact OG1-N 2.77Å; T1281-E1283 PolarHBondContact OG1-OE2 3.16Å
1282G93.5Very high95.7Very high47 Ų4777.8 Ų77.849%0.48540%0.395SS..  trans72.63.2-174.800000114.2R1278 H1280 K1284R1278-G1282 WeakPolarHBondContact O-CA 3.43Å; R1278-G1282 PolarHBondContact O-N 3.1Å; H1280-G1282 VanDerWaalsContact C-N 3.31Å; G1282-K1284 PolarHBondContact O-N 3.45Å
1283E94.7Very high95.8Very high105 Ų10579.7 Ų79.749%0.49140%0.402SS..  trans-61.7126.3-175.1-76.9163-167.200112.7R1278 T1281 P1285 A1296R1278-E1283 HydrophobicContact CG-CB 4.24Å; T1281-E1283 PolarHBondContact O-N 3.25Å; T1281-E1283 WeakPolarHBondContact OG1-CB 3.38Å; T1281-E1283 VanDerWaalsContact OG1-CG 3.31Å; T1281-E1283 WeakPolarHBondContact OG1-CG 3.48Å; T1281-E1283 PolarHBondContact OG1-N 2.77Å; T1281-E1283 PolarHBondContact OG1-OE2 3.16Å; E1283-P1285 WeakPolarHBondContact O-CD 3.36Å; E1283-A1296 WeakPolarHBondContact O-CB 3.48Å
1284K95.3Very high95.7Very high127 Ų12780.1 Ų80.155%0.55241%0.409SS*.  trans-126.470.7-179.5-71165.6-178.3177.20110G1282 Y1286 A1294 F1295G1282-K1284 PolarHBondContact O-N 3.45Å; K1284-Y1286 VanDerWaalsContact C-N 3.31Å; K1284-Y1286 PolarHBondContact O-N 3.13Å; K1284-A1294 HydrophobicContact CB-CB 3.62Å; K1284-A1294 HydrophobicContact CD-CB 4.41Å; K1284-F1295 CarbonylContact C-O 3.56Å; K1284-F1295 WeakPolarHBondContact CA-O 3.36Å
1285P93.9Very high95.7Very high73 Ų7376.6 Ų76.647%0.47440%0.397SS..  trans-65.9-30.7-17425.2-33.6000113.2E1283 R1287E1283-P1285 WeakPolarHBondContact O-CD 3.36Å; P1285-R1287 PolarHBondContact O-N 3.28Å
1286Y96.9Very high95.7Very high71 Ų7176.9 Ų76.928%0.27840%0.4SS..EExtended strand (participates in β ladder)trans-87.197.3-174.1-50-70.9000111.1R1278 K1284 A1294 F1295 L1298R1278-Y1286 PolarHBondContact NH1-OH 3.2Å; K1284-Y1286 VanDerWaalsContact C-N 3.31Å; K1284-Y1286 PolarHBondContact O-N 3.13Å; Y1286-A1294 CarbonylContact O-C 3.6Å; Y1286-F1295 WeakPolarHBondContact CD2-O 3.45Å; Y1286-F1295 PolarHBondContact N-O 2.81Å; Y1286-F1295 VanDerWaalsContact N-O 3.15Å; Y1286-F1295 PolarHBondContact O-N 2.9Å; Y1286-L1298 HydrophobicContact CD1-CB 4.09Å; Y1286-L1298 HydrophobicContact CD1-CD1 3.82Å; Y1286-L1298 HydrophobicContact CD2-CB 4.35Å; Y1286-L1298 VanDerWaalsContact CD2-N 3.28Å; Y1286-L1298 HydrophobicContact CE1-CB 3.96Å; Y1286-L1298 HydrophobicContact CE1-CD1 4.24Å; Y1286-L1298 HydrophobicContact CE2-CB 4.21Å; Y1286-L1298 VanDerWaalsContact CE2-N 3.32Å; Y1286-L1298 HydrophobicContact CG-CB 4.29Å; Y1286-L1298 HydrophobicContact CG-CD1 4.34Å
1287R96.5Very high95.7Very high184 Ų18479.8 Ų79.869%0.69441%0.413SS*.EExtended strand (participates in β ladder)trans-87.8143.6175.5-66.4-175.5-179.6-178.80.2111.9P1285 A1294 L1301P1285-R1287 PolarHBondContact O-N 3.28Å; R1287-A1294 HydrophobicContact CG-CB 3.97Å; R1287-L1301 WeakPolarHBondContact O-CD2 3.44Å
1288C97.4Very high95.6Very high1 Ų181.5 Ų81.51%0.00742%0.423CS..  trans-80.9124.6173-175.30000110.9Q1290 L1292 K1293 F1295 L1301 H1308C1288-Q1290 PolarHBondContact O-N 3.41Å; C1288-L1292 WeakPolarHBondContact O-CA 3.44Å; C1288-L1292 PolarHBondContact O-N 3.02Å; C1288-K1293 WeakPolarHBondContact CB-O 3.1Å; C1288-K1293 PolarHBondContact N-O 3.27Å; C1288-F1295 HydrophobicContact CB-CE2 4.43Å; C1288-L1301 HydrophobicContact CB-CD1 3.67Å; C1288-H1308 PolarHBondContact SG-NE2 3.19Å; C1288-H1308 VanDerWaalsContact SG-NE2 3.4Å
1289P95Very high95.6Very high107 Ų10780.9 Ų80.970%0.69544%0.436SS*.THydrogen-bonded Turntrans-66.9-24.8-179.426.2-34.2000113.2
1290Q95.2Very high95.6Very high112 Ų11278.5 Ų78.552%0.52342%0.42SS..THydrogen-bonded Turntrans-87.4-22.9-174.4-66.8170.3-73.300114.3C1288 H1308C1288-Q1290 PolarHBondContact O-N 3.41Å; Q1290-H1308 PolarHBondContact OE1-CD2 3Å
1291C96.6Very high95.6Very high48 Ų4875.3 Ų75.332%0.32441%0.405SS..THydrogen-bonded Turntrans-147.212.3-17975.50000114.6K1293 H1304 H1308C1291-K1293 PolarHBondContact O-N 3.4Å; C1291-H1304 PolarHBondContact SG-NE2 2.84Å; C1291-H1308 VanDerWaalsContact SG-CE1 3.56Å; C1291-H1308 PolarHBondContact SG-NE2 2.73Å
1292L94.7Very high95.7Very high134 Ų13477.8 Ų77.870%0.70241%0.413SS*.  trans59.4-1.6176.3-52.4-179.9000116.9C1288 A1294C1288-L1292 WeakPolarHBondContact O-CA 3.44Å; C1288-L1292 PolarHBondContact O-N 3.02Å; L1292-A1294 PolarHBondContact O-N 2.98Å
1293K96.4Very high95.9Very high133 Ų13381.8 Ų81.858%0.57841%0.413SS*.  trans-56.2133174.6-71.3-177.8-179.8179.40111C1288 C1291 F1295C1288-K1293 WeakPolarHBondContact CB-O 3.1Å; C1288-K1293 PolarHBondContact N-O 3.27Å; C1291-K1293 PolarHBondContact O-N 3.4Å; K1293-F1295 HydrophobicContact CB-CE2 3.88Å; K1293-F1295 HydrophobicContact CB-CZ 4.05Å; K1293-F1295 WeakPolarHBondContact O-CD2 3.47Å; K1293-F1295 VanDerWaalsContact O-CE2 3.26Å; K1293-F1295 WeakPolarHBondContact O-CE2 3.11Å
1294A96.6Very high96Very high35 Ų3578 Ų7829%0.28940%0.395SS..EExtended strand (participates in β ladder)trans-108.2139.8-171.900000112.1K1284 Y1286 R1287 L1292K1284-A1294 HydrophobicContact CB-CB 3.62Å; K1284-A1294 HydrophobicContact CD-CB 4.41Å; Y1286-A1294 CarbonylContact O-C 3.6Å; R1287-A1294 HydrophobicContact CG-CB 3.97Å; L1292-A1294 PolarHBondContact O-N 2.98Å
1295F96.4Very high96Very high47 Ų4773.6 Ų73.621%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-128.8145.7-174.2-58.7-90.1000111.9K1284 Y1286 C1288 K1293 Q1297 N1300 L1301 H1304K1284-F1295 CarbonylContact C-O 3.56Å; K1284-F1295 WeakPolarHBondContact CA-O 3.36Å; Y1286-F1295 WeakPolarHBondContact CD2-O 3.45Å; Y1286-F1295 PolarHBondContact N-O 2.81Å; Y1286-F1295 VanDerWaalsContact N-O 3.15Å; Y1286-F1295 PolarHBondContact O-N 2.9Å; C1288-F1295 HydrophobicContact CB-CE2 4.43Å; K1293-F1295 HydrophobicContact CB-CE2 3.88Å; K1293-F1295 HydrophobicContact CB-CZ 4.05Å; K1293-F1295 WeakPolarHBondContact O-CD2 3.47Å; K1293-F1295 VanDerWaalsContact O-CE2 3.26Å; K1293-F1295 WeakPolarHBondContact O-CE2 3.11Å; F1295-Q1297 VanDerWaalsContact C-N 3.31Å; F1295-N1300 HydrophobicContact CB-CB 4.32Å; F1295-N1300 HydrophobicContact CD1-CB 3.99Å; F1295-N1300 HydrophobicContact CG-CB 4.42Å; F1295-L1301 HydrophobicContact CB-CB 4.43Å; F1295-L1301 HydrophobicContact CD2-CB 4.1Å; F1295-L1301 HydrophobicContact CD2-CD1 4.08Å; F1295-L1301 HydrophobicContact CE2-CD1 4.28Å; F1295-L1301 HydrophobicContact CG-CB 4.43Å; F1295-H1304 HydrophobicContact CE1-CB 4.17Å; F1295-H1304 HydrophobicContact CE2-CB 4.09Å; F1295-H1304 AromaticContact CE2-CD2 3.31Å; F1295-H1304 WeakPolarHBondContact CE2-CD2 3.12Å; F1295-H1304 AromaticContact CE2-CG 3.89Å; F1295-H1304 HydrophobicContact CZ-CB 3.66Å; F1295-H1304 AromaticContact CZ-CD2 3.29Å; F1295-H1304 WeakPolarHBondContact CZ-CD2 3.31Å; F1295-H1304 AromaticContact CZ-CG 3.46Å; F1295-H1304 VanDerWaalsContact CZ-CG 3.46Å
1296A95.1Very high96.1Very high26 Ų2677.3 Ų77.322%0.21539%0.388CS..SBendtrans-77.2-14.4177.800000114R1278 E1283R1278-A1296 HydrophobicContact CB-CB 4.02Å; R1278-A1296 WeakPolarHBondContact CD-O 3.47Å; R1278-A1296 PolarHBondContact NH1-O 2.79Å; E1283-A1296 WeakPolarHBondContact O-CB 3.48Å
1297Q95.5Very high96Very high84 Ų8477.1 Ų77.139%0.39339%0.394SS..SBendtrans-138.9137.5-176.4-61.3177.65.400111.2A1275 F1295 G1299 N1300 L1301A1275-Q1297 HydrophobicContact CB-CG 4.22Å; F1295-Q1297 VanDerWaalsContact C-N 3.31Å; Q1297-G1299 VanDerWaalsContact C-N 3.33Å; Q1297-G1299 PolarHBondContact O-N 3.44Å; Q1297-N1300 WeakPolarHBondContact O-CB 3.36Å; Q1297-N1300 PolarHBondContact O-N 3.17Å; Q1297-N1300 VanDerWaalsContact O-N 3.12Å; Q1297-N1300 PolarHBondContact OE1-ND2 2.6Å; Q1297-L1301 PolarHBondContact O-N 2.9Å
1298L95.7Very high95.8Very high77 Ų7771.2 Ų71.240%0.40337%0.374SS..Hα-helixtrans-62.5-37.4-178.3-176.662000112.6Y1286 N1300 L1301 H1302Y1286-L1298 HydrophobicContact CD1-CB 4.09Å; Y1286-L1298 HydrophobicContact CD1-CD1 3.82Å; Y1286-L1298 HydrophobicContact CD2-CB 4.35Å; Y1286-L1298 VanDerWaalsContact CD2-N 3.28Å; Y1286-L1298 HydrophobicContact CE1-CB 3.96Å; Y1286-L1298 HydrophobicContact CE1-CD1 4.24Å; Y1286-L1298 HydrophobicContact CE2-CB 4.21Å; Y1286-L1298 VanDerWaalsContact CE2-N 3.32Å; Y1286-L1298 HydrophobicContact CG-CB 4.29Å; Y1286-L1298 HydrophobicContact CG-CD1 4.34Å; L1298-N1300 VanDerWaalsContact C-N 3.25Å; L1298-N1300 PolarHBondContact O-N 2.94Å; L1298-L1301 HydrophobicContact CD1-CD2 4.26Å; L1298-L1301 WeakPolarHBondContact O-CB 3.44Å; L1298-L1301 PolarHBondContact O-N 3.48Å; L1298-L1301 VanDerWaalsContact O-N 3.11Å; L1298-H1302 WeakPolarHBondContact CD1-NE2 3.24Å; L1298-H1302 PolarHBondContact O-N 2.98Å
1299G95.3Very high95.3Very high50 Ų5081.1 Ų81.152%0.51541%0.412SS..Hα-helixtrans-60.4-32.9175.400000113.5Q1297 R1303Q1297-G1299 VanDerWaalsContact C-N 3.33Å; Q1297-G1299 PolarHBondContact O-N 3.44Å; G1299-R1303 WeakPolarHBondContact O-CB 3.27Å; G1299-R1303 PolarHBondContact O-N 3.45Å
1300N96.2Very high94.2Very high47 Ų4789 Ų8925%0.25143%0.428SS..Hα-helixtrans-73-38.7174.1-75.8-39.5000111.8F1295 Q1297 L1298 R1303 H1304F1295-N1300 HydrophobicContact CB-CB 4.32Å; F1295-N1300 HydrophobicContact CD1-CB 3.99Å; F1295-N1300 HydrophobicContact CG-CB 4.42Å; Q1297-N1300 WeakPolarHBondContact O-CB 3.36Å; Q1297-N1300 PolarHBondContact O-N 3.17Å; Q1297-N1300 VanDerWaalsContact O-N 3.12Å; Q1297-N1300 PolarHBondContact OE1-ND2 2.6Å; L1298-N1300 VanDerWaalsContact C-N 3.25Å; L1298-N1300 PolarHBondContact O-N 2.94Å; N1300-R1303 PolarHBondContact O-N 3.23Å; N1300-R1303 PolarHBondContact OD1-NH2 3.44Å; N1300-H1304 WeakPolarHBondContact O-CB 3.39Å; N1300-H1304 PolarHBondContact O-N 2.8Å
1301L97Very high94.1Very high18 Ų1887.9 Ų87.99%0.09442%0.423CS..Hα-helixtrans-60.5-47.6169.9172.260.1000111.2R1287 C1288 F1295 Q1297 L1298 R1303 H1304 V1305R1287-L1301 WeakPolarHBondContact O-CD2 3.44Å; C1288-L1301 HydrophobicContact CB-CD1 3.67Å; F1295-L1301 HydrophobicContact CB-CB 4.43Å; F1295-L1301 HydrophobicContact CD2-CB 4.1Å; F1295-L1301 HydrophobicContact CD2-CD1 4.08Å; F1295-L1301 HydrophobicContact CE2-CD1 4.28Å; F1295-L1301 HydrophobicContact CG-CB 4.43Å; Q1297-L1301 PolarHBondContact O-N 2.9Å; L1298-L1301 HydrophobicContact CD1-CD2 4.26Å; L1298-L1301 WeakPolarHBondContact O-CB 3.44Å; L1298-L1301 PolarHBondContact O-N 3.48Å; L1298-L1301 VanDerWaalsContact O-N 3.11Å; L1301-R1303 PolarHBondContact O-N 3.38Å; L1301-H1304 CarbonylContact O-C 3.38Å; L1301-H1304 PolarHBondContact O-N 3.19Å; L1301-H1304 VanDerWaalsContact O-N 3.09Å; L1301-V1305 HydrophobicContact CD1-CG2 3.72Å; L1301-V1305 HydrophobicContact CG-CG2 4.28Å; L1301-V1305 WeakPolarHBondContact O-CG2 3.46Å; L1301-V1305 PolarHBondContact O-N 2.84Å
1302H96.6Very high94Very high108 Ų10890 Ų9050%0.543%0.428SS..Hα-helixtrans-62.4-40.2178.8-71.2178.8000112.8L1298 H1304 K1306L1298-H1302 WeakPolarHBondContact CD1-NE2 3.24Å; L1298-H1302 PolarHBondContact O-N 2.98Å; H1302-H1304 VanDerWaalsContact C-N 3.31Å; H1302-H1304 PolarHBondContact O-N 3.48Å; H1302-K1306 WeakPolarHBondContact O-CG 3.45Å; H1302-K1306 PolarHBondContact O-N 3.13Å
1303R96.6Very high94Very high130 Ų13087.6 Ų87.649%0.49141%0.413SS..Hα-helixtrans-62.6-38.2172.4176.216258169.9-3.9111.6G1299 N1300 L1301G1299-R1303 WeakPolarHBondContact O-CB 3.27Å; G1299-R1303 PolarHBondContact O-N 3.45Å; N1300-R1303 PolarHBondContact O-N 3.23Å; N1300-R1303 PolarHBondContact OD1-NH2 3.44Å; L1301-R1303 PolarHBondContact O-N 3.38Å
1304H96.9Very high93.8Very high25 Ų2584.9 Ų84.912%0.11640%0.403CS..Hα-helixtrans-74.1-40.2177.6175.346.3000113.9C1291 F1295 N1300 L1301 H1302 K1306 T1307 H1308C1291-H1304 PolarHBondContact SG-NE2 2.84Å; F1295-H1304 HydrophobicContact CE1-CB 4.17Å; F1295-H1304 HydrophobicContact CE2-CB 4.09Å; F1295-H1304 AromaticContact CE2-CD2 3.31Å; F1295-H1304 WeakPolarHBondContact CE2-CD2 3.12Å; F1295-H1304 AromaticContact CE2-CG 3.89Å; F1295-H1304 HydrophobicContact CZ-CB 3.66Å; F1295-H1304 AromaticContact CZ-CD2 3.29Å; F1295-H1304 WeakPolarHBondContact CZ-CD2 3.31Å; F1295-H1304 AromaticContact CZ-CG 3.46Å; F1295-H1304 VanDerWaalsContact CZ-CG 3.46Å; N1300-H1304 WeakPolarHBondContact O-CB 3.39Å; N1300-H1304 PolarHBondContact O-N 2.8Å; L1301-H1304 CarbonylContact O-C 3.38Å; L1301-H1304 PolarHBondContact O-N 3.19Å; L1301-H1304 VanDerWaalsContact O-N 3.09Å; H1302-H1304 VanDerWaalsContact C-N 3.31Å; H1302-H1304 PolarHBondContact O-N 3.48Å; H1304-K1306 PolarHBondContact O-N 2.64Å; H1304-T1307 PolarHBondContact ND1-OG1 2.62Å; H1304-T1307 VanDerWaalsContact ND1-OG1 3.16Å; H1304-T1307 WeakPolarHBondContact O-CA 3.32Å; H1304-T1307 WeakPolarHBondContact O-CB 3.21Å; H1304-T1307 PolarHBondContact O-N 3.05Å; H1304-T1307 PolarHBondContact O-OG1 3.23Å; H1304-H1308 AromaticContact CD2-NE2 3.92Å; H1304-H1308 AromaticContact CE1-CE1 3.48Å; H1304-H1308 PolarHBondContact CE1-CE1 3.28Å; H1304-H1308 VanDerWaalsContact CE1-CE1 3.48Å; H1304-H1308 AromaticContact CE1-NE2 3.2Å; H1304-H1308 PolarHBondContact CE1-NE2 2.89Å; H1304-H1308 AromaticContact NE2-CE1 3.72Å; H1304-H1308 AromaticContact NE2-NE2 3.07Å; H1304-H1308 PolarHBondContact NE2-NE2 3.01Å
1305V95.3Very high93.7Very high35 Ų3588 Ų8821%0.21241%0.41CS..Hα-helixtrans-61.1-29.1175.8169.80000111.2L1301 T1307 H1308L1301-V1305 HydrophobicContact CD1-CG2 3.72Å; L1301-V1305 HydrophobicContact CG-CG2 4.28Å; L1301-V1305 WeakPolarHBondContact O-CG2 3.46Å; L1301-V1305 PolarHBondContact O-N 2.84Å; V1305-T1307 VanDerWaalsContact C-N 3.27Å; V1305-T1307 PolarHBondContact O-N 3.04Å; V1305-H1308 PolarHBondContact O-N 3.02Å
1306K95.6Very high93.5Very high151 Ų15190.7 Ų90.766%0.65742%0.424SS*.G310 helixtrans-67.2-19.4169.9-69.3178.3179.7-1730114.2H1302 H1304 H1308 R1309H1302-K1306 WeakPolarHBondContact O-CG 3.45Å; H1302-K1306 PolarHBondContact O-N 3.13Å; H1304-K1306 PolarHBondContact O-N 2.64Å; K1306-H1308 VanDerWaalsContact C-N 3.31Å; K1306-R1309 PolarHBondContact O-N 2.84Å
1307T95.5Very high93.4Very high67 Ų6795.4 Ų95.441%0.41144%0.439SS..G310 helixtrans-80.9-10.4172.774.10000113.3H1304 V1305 R1309H1304-T1307 PolarHBondContact ND1-OG1 2.62Å; H1304-T1307 VanDerWaalsContact ND1-OG1 3.16Å; H1304-T1307 WeakPolarHBondContact O-CA 3.32Å; H1304-T1307 WeakPolarHBondContact O-CB 3.21Å; H1304-T1307 PolarHBondContact O-N 3.05Å; H1304-T1307 PolarHBondContact O-OG1 3.23Å; V1305-T1307 VanDerWaalsContact C-N 3.27Å; V1305-T1307 PolarHBondContact O-N 3.04Å; T1307-R1309 VanDerWaalsContact C-N 3.35Å
1308H93.4Very high93.2Very high60 Ų6096.2 Ų96.228%0.27844%0.442SS..G310 helixtrans-95.89.6168.9-55.5-55.5000112.6C1288 Q1290 C1291 H1304 V1305 K1306C1288-H1308 PolarHBondContact SG-NE2 3.19Å; C1288-H1308 VanDerWaalsContact SG-NE2 3.4Å; Q1290-H1308 PolarHBondContact OE1-CD2 3Å; C1291-H1308 VanDerWaalsContact SG-CE1 3.56Å; C1291-H1308 PolarHBondContact SG-NE2 2.73Å; H1304-H1308 AromaticContact CD2-NE2 3.92Å; H1304-H1308 AromaticContact CE1-CE1 3.48Å; H1304-H1308 PolarHBondContact CE1-CE1 3.28Å; H1304-H1308 VanDerWaalsContact CE1-CE1 3.48Å; H1304-H1308 AromaticContact CE1-NE2 3.2Å; H1304-H1308 PolarHBondContact CE1-NE2 2.89Å; H1304-H1308 AromaticContact NE2-CE1 3.72Å; H1304-H1308 AromaticContact NE2-NE2 3.07Å; H1304-H1308 PolarHBondContact NE2-NE2 3.01Å; V1305-H1308 PolarHBondContact O-N 3.02Å; K1306-H1308 VanDerWaalsContact C-N 3.31Å
1309R86.4Confident93Very high209 Ų20997.8 Ų97.879%0.78945%0.446SS*.  trans-115.325169.5-62.2-172.8179-170.9-1.2110.9K1306 T1307K1306-R1309 PolarHBondContact O-N 2.84Å; T1307-R1309 VanDerWaalsContact C-N 3.35Å
1310R71.2Confident92.8Very high274 Ų274102.2 Ų102.2100%1.03444%0.439SS*.  trans-133.20175.3-70.7-178.2173.2-170.2-5106.9

Retrieved 1,310 of 1,310 residues in 393 ms (Link to these results)