A0A5K4FCM2_SCHMA Loading...

Non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A5K4FCM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,342 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M28.9Very low29.6Very low237 Ų237157 Ų157100%1.16783%0.832SS**  0144.70-77.3174164.200109.3
2N30.5Very low29.2Very low159 Ų159157.9 Ų157.985%0.8584%0.837SS**  trans33.2122.1155.2-55.77.1000121.2
3S24.1Very low29.1Very low108 Ų108155.9 Ų155.976%0.75584%0.835SS**  trans-70.4159.8155.854.90000112.3
4P41.9Very low28.9Very low113 Ų113152.9 Ų152.973%0.73483%0.831SS**  -135.3130.185.131.8-15.9000113
5S31Very low28.9Very low103 Ų103151.5 Ų151.572%0.7283%0.829SS**  78.7138.994.692.80000113.8
6L30.8Very low28.8Very low170 Ų170157.1 Ų157.189%0.8984%0.835SS**  cis-116.2159.51.1-68.5120.1000111.9
7R25Very low28.8Very low227 Ų227152.8 Ų152.886%0.85784%0.836SS**  trans-112.5134.7169-78.5-175174.7-174.8-1.1111.1
8Q30.7Very low28.8Very low201 Ų201148.5 Ų148.594%0.93983%0.833SS**  trans-130.7136.9145-78.2-172.8-18.900107.8
9T30.2Very low28.8Very low102 Ų102147.8 Ų147.863%0.62684%0.839SS**  trans-123.5129.5-167.846.30000111.5
10N24.7Very low28.8Very low171 Ų171152.5 Ų152.591%0.91484%0.842SS**  trans-63.3144.1168.4-66.2-39.3000110.8
11I28.4Very low28.8Very low136 Ų136152.1 Ų152.170%0.69784%0.844SS**  trans-136.1119.8168.2-58.7-178.5000108.7V13I11-V13 HydrophobicContact CG2-CG2 3.82Å
12N23.9Very low28.6Very low168 Ų168151.3 Ų151.390%0.89883%0.828SS**  trans-88.7148159.1-90.1-18.3000108.6
13V28.7Very low28.5Very low132 Ų132151.6 Ų151.680%0.883%0.828SS**  trans-129.6138.1177.9-177.90000110.4I11I11-V13 HydrophobicContact CG2-CG2 3.82Å
14S25.7Very low28.7Very low113 Ų113153.9 Ų153.979%0.7983%0.826SS**  trans-117.7172.2169.1-1680000110.5
15V29.6Very low27.8Very low132 Ų132158.8 Ų158.880%0.883%0.83SS**  trans-94.8128.4-152178.20000114.6
16R26.6Very low27.7Very low242 Ų242159.7 Ų159.791%0.91384%0.837SS**  -175.6131.8127.6-109.6-178.4176.6-161.8-0.6115.6
17G29Very low27.6Very low84 Ų84160.1 Ų160.187%0.86683%0.834SS**  trans79141.2140.100000120.4
18G28.3Very low27.8Very low75 Ų75154.8 Ų154.877%0.77383%0.832SS**  trans119.571.3149.600000119.9
19S29.4Very low27.9Very low135 Ų135150.3 Ų150.394%0.94482%0.82SS**  trans66.2170.1152.8-65.90000119.8
20R28Very low27.8Very low241 Ų241154.8 Ų154.891%0.90983%0.834SS**  trans-105149.1-166.4-65.4173.1171166.2-4.2113.2
21V28.9Very low28Very low145 Ų145149.9 Ų149.988%0.87982%0.824SS**  trans-122150148.7177.60000108.6
22R25.6Very low27.9Very low221 Ų221153.1 Ų153.183%0.83483%0.833SS**  trans-136.3126.3-171.5-178.4-166.2-159.7179.37.3109.4
23I29Very low28.1Very low165 Ų165152.1 Ų152.185%0.84683%0.826SS**  trans-124.3151164.7-62.6-177.3000108
24Q27.7Very low27.9Very low155 Ų155152.6 Ų152.672%0.72482%0.824SS**  trans-99.7147.1-160.4-70.8164.9-83.100114.8
25R24Very low27.9Very low217 Ų217153.9 Ų153.982%0.81982%0.821SS**  trans24.1129.5140.8-63.6179.7171-178-4119.1
26S28.6Very low27.8Very low122 Ų122152.5 Ų152.585%0.85382%0.818SS**  -129165.6115.864.60000109.3
27Q28Very low27.6Very low178 Ų178150.7 Ų150.783%0.83281%0.812SS**  trans-114.1140.7179.1-72.2174.4-5200110.2
28S28.5Very low27.5Very low116 Ų116156.5 Ų156.581%0.81181%0.814SS**  trans-152.2132.9155.3-169.80000109.2
29P32.7Very low27.3Very low107 Ų107163.6 Ų163.670%0.69582%0.818SS**  trans-87.1-178.2179.836.1-35.4000112.5
30Q28Very low27.2Very low195 Ų195165.9 Ų165.991%0.91181%0.813SS**  trans74.593.8174.5-48.5-178.715.400115.7
31G29.6Very low27.2Very low69 Ų69157.5 Ų157.571%0.71180%0.802SS**  trans-162.7116.3168.400000111.3I33G31-I33 PolarHBondContact O-N 3.46Å
32K26.7Very low27.1Very low204 Ų204156.1 Ų156.189%0.88780%0.799SS**  trans-73.3113179.9-68.4176-179.6173.50110.2N34K32-N34 PolarHBondContact O-N 2.83Å
33I28Very low27.2Very low147 Ų147151.9 Ų151.975%0.75480%0.797SS**  trans-80.786.6173.6-57.1-179.5000109.5G31 L35G31-I33 PolarHBondContact O-N 3.46Å; I33-L35 HydrophobicContact CG2-CD1 3.98Å; I33-L35 HydrophobicContact CG2-CG 3.86Å; I33-L35 PolarHBondContact O-N 3.03Å
34N25Very low27.2Very low142 Ų142149.7 Ų149.776%0.75980%0.796SS**  trans-7998.9162.8-88.3-8.1000109.1K32 S36K32-N34 PolarHBondContact O-N 2.83Å; N34-S36 PolarHBondContact O-N 2.83Å
35L25.5Very low27.5Very low139 Ų139147.5 Ų147.573%0.72880%0.795SS**  trans-80.563.8174-94161.7000111.9I33I33-L35 HydrophobicContact CG2-CD1 3.98Å; I33-L35 HydrophobicContact CG2-CG 3.86Å; I33-L35 PolarHBondContact O-N 3.03Å
36S26.6Very low28Very low103 Ų103143.2 Ų143.272%0.7280%0.796SS**  trans-92.197.1169.256.70000110.3N34 F38N34-S36 PolarHBondContact O-N 2.83Å; S36-F38 PolarHBondContact O-N 2.85Å
37Y23.1Very low28Very low205 Ų205148.6 Ų148.680%0.80480%0.797SS**  trans-60.6125.5173.3-80.3-98000111.5
38F27Very low28.1Very low206 Ų206148.3 Ų148.390%0.90479%0.794SS**  trans-140.6136.9151.4-111.7-81.5000111.7S36S36-F38 PolarHBondContact O-N 2.85Å
39R24.1Very low28.3Very low224 Ų224149 Ų14985%0.84579%0.787SS**  trans-70.1145.8168.7-65.5173.5171.5179.7-4109.4
40H27.2Very low28.1Very low182 Ų182152.4 Ų152.484%0.84379%0.793SS**  -174.9147.8119.9-91.6-68.7000107.6
41G27.3Very low28.2Very low66 Ų66147.8 Ų147.868%0.6878%0.783SS**  cis177.1-169-2.800000110.6
42S27.6Very low28.1Very low116 Ų116152.5 Ų152.581%0.81179%0.791SS**  trans-159.1144.9173.555.50000110.3
43V27.9Very low28.2Very low131 Ų131147.9 Ų147.979%0.79478%0.783SS**  cis-153.3155.2-15.8132.50000105.5
44S27.6Very low28.5Very low119 Ų119149.6 Ų149.683%0.83279%0.786SS**  trans-151.4124.4163-78.10000111.8
45P34.2Very low28.9Very low109 Ų109149 Ų14971%0.70878%0.782SS**PPolyproline II helixtrans-86.6164.2178.235.5-35.4000112.8
46P34.6Very low29.2Very low128 Ų128148.7 Ų148.783%0.83178%0.781SS**PPolyproline II helixtrans-73.8163.2178.430.9-35.9000113.9
47R29.2Very low29.5Very low234 Ų234150.2 Ų150.288%0.88379%0.787SS**PPolyproline II helixtrans-97.6173.2171.1-44.2174.8178.6164.2-2.1108.4
48K30.5Very low29.9Very low173 Ų173145 Ų14575%0.75279%0.786SS**  cis-168.7-175.48.3-147.5-178.7178.8-162.20108.3
49I31.1Very low30.1Very low131 Ų131140.3 Ų140.367%0.67278%0.778SS**  trans74.1135.3155.2-70.1157.9000114.7
50E29.8Very low30.6Very low178 Ų178137.7 Ų137.783%0.83278%0.776SS**  cis-150.4-179.7-10.5-124.6160.5-151.400112.1
51S29.2Very low30.8Very low98 Ų98134.3 Ų134.369%0.68577%0.768SS**  trans-115150.7-170.157.10000114.2
52N29Very low31Very low167 Ų167135.8 Ų135.889%0.89377%0.768SS**  trans-145162.2155.4-123-29000111.6
53C27.6Very low31.2Very low107 Ų107136.1 Ų136.172%0.72377%0.769SS**  trans-144.7177.9-161.3-65.30000113.6
54K33.7Very low31.3Very low184 Ų184135.6 Ų135.680%0.877%0.766SS**  trans94.3155.3169.5-58.6-174.7177.8-1750115.9
55D33.6Very low31.4Very low128 Ų128139 Ų13968%0.68476%0.76SS**  cis-138.3-178.915.5-130.9-45.8000116.3
56N33.2Very low31.2Very low133 Ų133141.7 Ų141.771%0.71176%0.757SS**  trans-77.2171-166.6-71.5-91.9000114.5
57T32.2Very low31Very low136 Ų136144.3 Ų144.383%0.83475%0.75SS**  cis-133.7-124.920.8-37.40000113
58A31.6Very low31.1Very low95 Ų95140.8 Ų140.879%0.78574%0.743SS**  cis-142.7-137.310.700000112.7
59S32Very low31.1Very low107 Ų107137.2 Ų137.275%0.74874%0.74SS**  trans-155.2165.1-166.866.40000112.8
60Q33.7Very low30.8Very low169 Ų169137.8 Ų137.879%0.7974%0.743SS**  cis-113.9-133.14.7-64.3176.26700109.8
61T32.5Very low30.5Very low112 Ų112135.5 Ų135.569%0.68774%0.742SS**  cis-168.6161.4-5.44.40000105.3
62S30.5Very low30.4Very low96 Ų96138.1 Ų138.167%0.67175%0.746SS**  cis-179.4126.4-30.6500000108.6
63C32.3Very low30.2Very low124 Ų124137 Ų13784%0.83874%0.735SS**  cis-130.4-101.6-9.8-71.60000110.8
64V29.3Very low30.1Very low120 Ų120141.8 Ų141.873%0.72774%0.739SS**  cis-143.1125.3-4.4176.60000109.7
65R30.1Very low29.8Very low189 Ų189142 Ų14271%0.71374%0.74SS**  trans58.1114163.5-71.9-179.1175.7-176.11.5121.5
66R29.5Very low29.3Very low166 Ų166140.9 Ų140.963%0.62674%0.741SS**  75.2147.7119-64.5174.7-177.6174.4-0.9118.4
67R30.7Very low29.1Very low184 Ų184144.9 Ų144.969%0.69475%0.746SS**  cis-158.3137.5-2.2-124.7166.6180176.5-2.6111.1
68H30.7Very low29.4Very low160 Ų160143.9 Ų143.974%0.74175%0.745SS**  trans52.7118.2134.7-74.8-131000121.7
69S30.6Very low29.5Very low97 Ų97142.7 Ų142.768%0.67873%0.73SS**  57.7140.6116.382.40000120.3
70L26.4Very low29.2Very low143 Ų143145.1 Ų145.175%0.74973%0.732SS**  cis-139.5143.243.6-148.596.5000114.1I72L70-I72 HydrophobicContact CD2-CB 4.45Å; L70-I72 HydrophobicContact CD2-CD1 4.3Å
71V22.3Very low28.9Very low131 Ų131142.8 Ų142.879%0.79473%0.73SS**  trans-96.8132.2156.4170.90000107.1
72I28Very low28.5Very low152 Ų152144.4 Ų144.478%0.77973%0.734SS**  trans-153.7114.3143.7-104.8149.2000111.5L70L70-I72 HydrophobicContact CD2-CB 4.45Å; L70-I72 HydrophobicContact CD2-CD1 4.3Å
73Q23.8Very low28.2Very low143 Ų143144.8 Ų144.867%0.66874%0.737SS**  trans-44.2131.4160.5-169.2-159.586.100112.8
74R25.2Very low28Very low209 Ų209148.7 Ų148.779%0.78974%0.735SS**  162.8158.1123.4-89.1161.4-175.9-154.3-5115.2
75K27Very low27.8Very low189 Ų189149.1 Ų149.182%0.82273%0.734SS**  trans6597.5159.8-75.7178179.7179.70117.5
76S23.5Very low27.5Very low103 Ų103150.7 Ų150.772%0.7274%0.74SS**  -12.9143.9120.548.50000115
77R28.9Very low27.2Very low217 Ų217149 Ų14982%0.81974%0.742SS**  -161.5116.382-112.3-175.2173.3-175.1-0.6114.2P79R77-P79 HydrophobicContact CG-CG 4.09Å
78S40Very low27Very low116 Ų116144.8 Ų144.881%0.81174%0.741SS**  -77.3129.1125.648.90000107.8
79P33.3Very low26.8Very low70 Ų70145.8 Ų145.846%0.45575%0.747SS.*  -139.3145.1115.417.85.4000111.2R77R77-P79 HydrophobicContact CG-CG 4.09Å
80I24.8Very low26.8Very low158 Ų158150.2 Ų150.281%0.8175%0.751SS**  56.4110.977.1-51158.1000109.6
81T27.3Very low26.8Very low120 Ų120150.9 Ų150.974%0.73675%0.75SS**  cis-138.2160.827.451.30000115.4
82N24.6Very low27.1Very low146 Ų146151.9 Ų151.978%0.78175%0.746SS**  trans24128.1145-68.20.6000122.4
83S24.9Very low27Very low104 Ų104152.7 Ų152.773%0.72774%0.744SS**  trans91.4147.3133.579.70000121.2
84Y26.4Very low27.1Very low205 Ų205154.8 Ų154.880%0.80475%0.75SS**  trans60.199164.2-68.8-69.2000121.6
85N25.1Very low27.2Very low129 Ų129150.3 Ų150.369%0.6975%0.746SS**  51.9122120.9-81.6-18000121.6
86R23.8Very low27.2Very low223 Ų223147.9 Ų147.984%0.84275%0.748SS**  trans68.9161143.5-66.6-176.7175.9-172.3-1.6115.3
87I23.6Very low27.7Very low131 Ų131148.3 Ų148.367%0.67275%0.748SS**  cis-140.1179.26.8-141.5154.1000111.8
88S26Very low27.6Very low95 Ų95143.9 Ų143.966%0.66475%0.745SS**  trans-63.6169.5179.650.60000115.7
89M27.6Very low26.9Very low180 Ų180145.9 Ų145.989%0.88775%0.747SS**  trans-44.9138.1175.2-64.3-82.5-82.300114
90Y29.4Very low26.5Very low190 Ų190145.8 Ų145.875%0.74576%0.759SS**  trans-75.2162.5167.6-80.8-85.7000110.8
91H27.8Very low26.6Very low158 Ų158146 Ų14673%0.73176%0.761SS**  cis-158.6131.723.1-133.5-36.8000112.1
92Q27.7Very low26.5Very low152 Ų152147.5 Ų147.571%0.7176%0.76SS**  167.8120.9110.7-84-154.242.800115.4
93K26.6Very low26.7Very low169 Ų169146 Ų14674%0.73576%0.756SS**  trans62.3116.6138.9-68.3178.9-179162.70123.8
94K26.5Very low26.6Very low186 Ų186147.4 Ų147.481%0.80976%0.755SS**  trans82.999.8131.1-76.4-163.3168.3-167.60121.9
95T26.2Very low26.5Very low115 Ų115143.8 Ų143.871%0.70675%0.748SS**  17.8134.6107.862.90000117.6
96T28Very low26.4Very low138 Ų138144.6 Ų144.685%0.84775%0.753SS**  -157.1170.456.534.60000114
97P33.9Very low26.3Very low112 Ų112141.9 Ų141.973%0.72775%0.751SS**  trans-114.5165.8-170.341.6-32.9000116.4
98T25.2Very low26.3Very low125 Ų125140.6 Ų140.677%0.76775%0.75SS**  trans-167.5144.1143.36.50000113.5
99N25.3Very low26.2Very low157 Ų157141.6 Ų141.684%0.8474%0.739SS**  trans46.8126.8149.9-57.2-5.9000123.3
100G26Very low26.1Very low69 Ų69137.1 Ų137.171%0.71172%0.722SS**  126.9107.5122.700000119.3
101L27.6Very low25.9Very low163 Ų163133.6 Ų133.685%0.85372%0.716SS**  trans63.6152.7152.5-52.7169.7000116.6
102E25.2Very low25.8Very low151 Ų151132.3 Ų132.371%0.70672%0.715SS**  cis-153.1151.9-7.9-130.6171.6157.400110
103T27.1Very low25.7Very low115 Ų115131.7 Ų131.771%0.70672%0.716SS**  trans30.8149.2152.154.60000123.7
104D23.1Very low25.5Very low133 Ų133131.9 Ų131.971%0.71172%0.719SS**  cis-171.5165.9-32.6-126.5-33.6000111.8
105I25.4Very low25.4Very low128 Ų128130.9 Ų130.966%0.65672%0.721SS**  trans45.1100.8148.5-63.6157.4000119.7
106N22.9Very low25.3Very low147 Ų147132.4 Ų132.479%0.78672%0.723SS**  57146.1126.3-66.9-37000125.3
107M22.1Very low25.1Very low165 Ų165133.3 Ų133.381%0.81372%0.723SS**  trans81.1109.7145.1-81.7-167.8177.400123.3
108T22.8Very low24.6Very low105 Ų105133 Ų13364%0.64472%0.724SS**  trans87.6121.8130.861.20000123.2
109R24Very low24.6Very low116 Ų116134.5 Ų134.544%0.43872%0.722SS.*  trans63.190139.6-82145.9116.3-16417.7119.4S287 I288R109-S287 VanDerWaalsContact CD-CB 3.43Å; R109-S287 WeakPolarHBondContact CD-OG 3.43Å; R109-S287 PolarHBondContact NH1-OG 2.95Å; R109-S287 PolarHBondContact NH2-O 3.2Å; R109-I288 PolarHBondContact NE-O 3.43Å; R109-I288 VanDerWaalsContact NH2-C 3.26Å; R109-I288 PolarHBondContact NH2-O 3.14Å
110T25.7Very low24.5Very low86 Ų86136.4 Ų136.453%0.52872%0.719SS.*  51.4133.5111.353.80000120.1I288T110-I288 VanDerWaalsContact O-CD1 3.22Å; T110-I288 WeakPolarHBondContact O-CD1 3.31Å
111N23.9Very low24.3Very low115 Ų115139.9 Ų139.962%0.61572%0.716SS**  trans-101.3-171136.9-62.116.8000106.4K286N111-K286 PolarHBondContact OD1-NZ 2.98Å; N111-K286 VanDerWaalsContact OD1-NZ 3.11Å
112N27.3Very low24.2Very low131 Ų131140.1 Ų140.170%0.70171%0.711SS**  cis-162.216910.3-132.520.8000104.9
113L24.8Very low24.1Very low140 Ų140138.2 Ų138.273%0.73371%0.714SS**  cis-158.1-173-9.9-140.9-178.5000106
114Q23.3Very low24Very low173 Ų173139.6 Ų139.681%0.80872%0.715SS**  trans-81.6155.9160.1-72.1172.9-75.400112.2
115I23.5Very low24.1Very low164 Ų164142.4 Ų142.484%0.84172%0.724SS**  trans-137145.7151.3-35.2178.2000102.6
116I23.6Very low24.1Very low148 Ų148144 Ų14476%0.75973%0.728SS**  cis-138.1153.335.4-61.6152.2000111.2
117N23.5Very low24.1Very low156 Ų156141.4 Ų141.483%0.83472%0.718SS**  trans-128.3123.8164.8-162.922.7000108.2
118S24.3Very low24.2Very low107 Ų107138.5 Ų138.575%0.74872%0.72SS**  trans-160.5149.6164.450.30000110.7
119Q24.7Very low24.3Very low156 Ų156140 Ų14073%0.72972%0.724SS**  trans-110.6144.8-169.3-58.4159.4-41.100110.1
120Y23.1Very low24.5Very low197 Ų197139.6 Ų139.677%0.77373%0.734SS**  174.3141100.2-110.5-85.2000113.8
121E22.3Very low24.6Very low141 Ų141141.4 Ų141.466%0.65975%0.747SS**  trans64.5153.2150.9-105.6-174.8-16400124.5
122K25.2Very low24.6Very low169 Ų169143.4 Ų143.474%0.73575%0.752SS**  trans65.169.6154.6-72.4165.4178.9137.90119.6
123S22.8Very low24.5Very low111 Ų111141.8 Ų141.878%0.77676%0.757SS**  20.9103.7114.9171.70000118.2
124I26.4Very low24.6Very low143 Ų143142 Ų14273%0.73376%0.759SS**  trans-136.5111.5131.9-61.8-174.2000107.9H126I124-H126 HydrophobicContact CG2-CB 4.14Å; I124-H126 PolarHBondContact O-N 2.69Å
125H24.9Very low24.6Very low193 Ų193136.7 Ų136.789%0.89475%0.751SS**  trans-8293.2165.3-94.6-76.3000109.1
126H24.4Very low24.7Very low160 Ų160136 Ų13674%0.74175%0.748SS**  trans-106.3105.2168.1-115.3-56.2000112I124I124-H126 HydrophobicContact CG2-CB 4.14Å; I124-H126 PolarHBondContact O-N 2.69Å
127T24.3Very low24.5Very low94 Ų94133.6 Ų133.658%0.57774%0.744SS**  trans14.9106.4147.8-13.30000117.1L129T127-L129 HydrophobicContact CG2-CD2 4Å; T127-L129 HydrophobicContact CG2-CG 3.73Å; T127-L129 PolarHBondContact O-N 2.84Å
128A23.8Very low24.5Very low103 Ų103132.8 Ų132.885%0.85174%0.738SS**  trans-70.477.1153.900000109T130A128-T130 PolarHBondContact O-N 3.47Å
129L24.2Very low24.5Very low138 Ų138132.9 Ų132.972%0.72373%0.734SS**  trans-67.4102171.6-81.6170.3000109T127T127-L129 HydrophobicContact CG2-CD2 4Å; T127-L129 HydrophobicContact CG2-CG 3.73Å; T127-L129 PolarHBondContact O-N 2.84Å
130T27.5Very low24.4Very low106 Ų106133.2 Ų133.265%0.6574%0.739SS**  trans-52.612815341.40000108A128 H132A128-T130 PolarHBondContact O-N 3.47Å; T130-H132 PolarHBondContact O-N 3Å
131P28.8Very low24.4Very low124 Ų124126.4 Ų126.481%0.80573%0.729SS**  trans-62.9114.6170.426-31.8000107.3A133P131-A133 PolarHBondContact O-N 3.39Å; P131-A133 VanDerWaalsContact O-N 3.07Å
132H23.9Very low24.5Very low158 Ų158124 Ų12473%0.73173%0.733SS**  trans-56.2118.7175.7-97.8-110.5000108.7T130 N134T130-H132 PolarHBondContact O-N 3Å; H132-N134 VanDerWaalsContact C-N 3.28Å; H132-N134 PolarHBondContact O-N 3.02Å
133A26.2Very low24.5Very low97 Ų97121.8 Ų121.880%0.80273%0.734SS**  trans-69.293167.300000107.6P131 G135P131-A133 PolarHBondContact O-N 3.39Å; P131-A133 VanDerWaalsContact O-N 3.07Å; A133-G135 PolarHBondContact O-N 3.17Å
134N25.4Very low24.6Very low143 Ų143123.4 Ų123.477%0.76573%0.734SS**  trans-70.555.7163.7-751.5000109.7H132 I136H132-N134 VanDerWaalsContact C-N 3.28Å; H132-N134 PolarHBondContact O-N 3.02Å; N134-I136 PolarHBondContact O-N 2.92Å; N134-I136 VanDerWaalsContact O-N 3.1Å
135G24.7Very low24.5Very low63 Ų63122.2 Ų122.265%0.64974%0.738SS**  trans-69.698.9162.200000107.1A133 S137A133-G135 PolarHBondContact O-N 3.17Å; G135-S137 PolarHBondContact O-N 3.18Å
136I24Very low24.7Very low150 Ų150118.1 Ų118.177%0.76974%0.738SS**  trans-62.5103.6175.3-63.1177.2000107.3N134 I138N134-I136 PolarHBondContact O-N 2.92Å; N134-I136 VanDerWaalsContact O-N 3.1Å; I136-I138 HydrophobicContact CG2-CG1 4.05Å; I136-I138 PolarHBondContact O-N 3.4Å; I136-I138 VanDerWaalsContact O-N 3.07Å
137S21.2Very low24.7Very low97 Ų97115.8 Ų115.868%0.67874%0.739SS**  trans-78.889.4-179.2-166.40000109.1G135 V139G135-S137 PolarHBondContact O-N 3.18Å; S137-V139 PolarHBondContact O-N 3.44Å; S137-V139 WeakPolarHBondContact OG-CG2 2.98Å
138I23.4Very low25Very low139 Ų139118.4 Ų118.471%0.71375%0.75SS**  trans-76.276.2168.9-54.8-175.3000108.1I136 I140I136-I138 HydrophobicContact CG2-CG1 4.05Å; I136-I138 PolarHBondContact O-N 3.4Å; I136-I138 VanDerWaalsContact O-N 3.07Å; I138-I140 HydrophobicContact CG2-CD1 4.48Å; I138-I140 HydrophobicContact CG2-CG1 4.06Å; I138-I140 PolarHBondContact O-N 3.38Å
139V22.9Very low25.2Very low109 Ų109121.7 Ų121.766%0.66175%0.747SS**  trans-7996.8166.3167.40000107.4S137 G141S137-V139 PolarHBondContact O-N 3.44Å; S137-V139 WeakPolarHBondContact OG-CG2 2.98Å; V139-G141 PolarHBondContact O-N 2.98Å
140I23.3Very low25.4Very low163 Ų163121.2 Ų121.284%0.83675%0.75SS**  trans-80.965.4156.5-53-177.5000107.1I138I138-I140 HydrophobicContact CG2-CD1 4.48Å; I138-I140 HydrophobicContact CG2-CG1 4.06Å; I138-I140 PolarHBondContact O-N 3.38Å
141G23.1Very low26Very low54 Ų54121.1 Ų121.156%0.55775%0.752SS**  trans-99.689.617000000108.1V139V139-G141 PolarHBondContact O-N 2.98Å
142A24.6Very low25.9Very low91 Ų91120.9 Ų120.975%0.75274%0.744SS**  trans-69.4133.7169.300000109.4
143T24.1Very low26.2Very low122 Ų122122 Ų12275%0.74874%0.742SS**  trans-163.4128.5148.55.50000112.4
144N25.3Very low26.2Very low144 Ų144125.1 Ų125.177%0.7774%0.737SS**  trans81.5137.2144.9-59.3-14.5000123
145S25.1Very low26.2Very low119 Ų119125.1 Ų125.183%0.83274%0.736SS**  trans70.369.1151.952.50000119.8
146A29.1Very low26.3Very low107 Ų107127.6 Ų127.688%0.88473%0.734SS**  trans-15751.6141.600000111.9
147S24.8Very low26.6Very low110 Ų110130.9 Ų130.977%0.76974%0.737SS**  trans-81.7116.6170.853.40000110.4
148N29.5Very low26.8Very low150 Ų150131.3 Ų131.380%0.80273%0.731SS**  trans-151.7125.2153.2-101.92.6000110
149E27.7Very low27.1Very low171 Ų171131.6 Ų131.680%0.79973%0.734SS**  trans65.873.1145.5-55.5-176.2150.800120
150T28.8Very low27.2Very low128 Ų128131.7 Ų131.779%0.78574%0.74SS**  -10167120.153.40000119.6
151P40.2Very low27.6Very low104 Ų104128.3 Ų128.368%0.67573%0.731SS**  cis-148.1-145.7-37.543.8-23.2000112.8
152D27.6Very low28Very low120 Ų120132.1 Ų132.164%0.64274%0.739SS**  trans76.9143.5151.9-93.120.5000120
153R28.7Very low28.2Very low181 Ų181134.5 Ų134.568%0.68374%0.738SS**  cis-174166-17.5-137.8-174.3-178.2146.8-9112.7
154K27.2Very low28.3Very low162 Ų162135.5 Ų135.570%0.70474%0.738SS**  trans65.4162.6155.3-69170.8172.7176.90116.4
155L25.7Very low28.2Very low143 Ų143133.8 Ų133.875%0.74974%0.738SS**  cis-163.2-175.4-23.8-102171.1000106.1
156L25.4Very low28.2Very low116 Ų116134.6 Ų134.661%0.60774%0.737SS**  cis-157.6142.88.9-143.6-177.2000108.9
157R30.4Very low28Very low218 Ų218134.6 Ų134.682%0.82373%0.731SS**  trans168.6126.5142.4-90.1161.9-156.8-71.53.5108.8
158D26.4Very low28.6Very low106 Ų106134.8 Ų134.857%0.56773%0.73SS**  72.3130.465.1-50.5-31.6000110.5
159D28.5Very low28.4Very low145 Ų145136.7 Ų136.778%0.77574%0.739SS**  cis-145.8155.627.1-89.2-63.3000115.3
160S26.7Very low28.3Very low111 Ų111132.3 Ų132.378%0.77674%0.739SS**  trans47.4141147.581.70000121.4
161S31.5Very low28.2Very low93 Ų93137.6 Ų137.665%0.6575%0.745SS**  cis-172.5164.342.249.60000113.5
162N30.3Very low27.5Very low134 Ų134141 Ų14172%0.71776%0.755SS**  trans68.1103.4160.9-59.8-24.2000119.2
163L29.9Very low27.4Very low141 Ų141138.5 Ų138.574%0.73876%0.759SS**  75.7100.892.1-72.2168000113.4
164N26.1Very low27.4Very low142 Ų142138.8 Ų138.876%0.75977%0.768SS**  99.4109.461.4-89.2-1.9000114.1
165S22.9Very low27.6Very low108 Ų108136.6 Ų136.676%0.75577%0.77SS**  trans49.1124.3144.863.20000121.8
166V25.9Very low27.6Very low136 Ų136132.9 Ų132.982%0.82477%0.766SS**  -176.9156.5109.8146.40000109.9
167S24.5Very low27.7Very low108 Ų108135 Ų13576%0.75578%0.777SS**  trans-136.7169.3176.7-50.70000110
168P37.8Very low27.6Very low113 Ų113136.1 Ų136.173%0.73478%0.783SS**  -132.1143.7-53.135.9-22.4000112.1
169L23.5Very low27.6Very low191 Ų191137.9 Ų137.9100%179%0.793SS**  trans-164.8147.3160.7-138.670.8000112.5
170G27Very low27.7Very low78 Ų78138.2 Ų138.280%0.80479%0.794SS**  trans136.6118.6170.300000114.2
171R26Very low27.6Very low239 Ų239136.7 Ų136.790%0.90280%0.795SS**  trans-87151.1166.7-63.3177.4177-179.9-1.5109.6
172I25.7Very low27.5Very low175 Ų175138.4 Ų138.490%0.89780%0.796SS**  trans176139.8131.3-93.4152.3000110.4
173G26.3Very low27.3Very low69 Ų69138 Ų13871%0.71180%0.801SS**  trans85.693.7150.100000119.4
174E28.3Very low27.2Very low187 Ų187136.5 Ų136.587%0.87480%0.797SS**  trans-141.9109.3165.1-101.1-71160.500109
175P31Very low27.1Very low116 Ų116137.7 Ų137.775%0.75380%0.803SS**  trans-114.3101.1-17736.7-26000114.6
176G24.9Very low27.2Very low64 Ų64138 Ų13866%0.6681%0.805SS**  trans77.5114138.600000120
177L27.6Very low27.1Very low162 Ų162136.6 Ų136.685%0.84880%0.802SS**  trans-15680.5149.9-120.8173000112.8
178Y28.2Very low27.1Very low241 Ų241137.1 Ų137.195%0.94581%0.806SS**  trans-137.497.7167.3-73-68.4000111.1
179D26.6Very low26.5Very low143 Ų143138.1 Ų138.177%0.76581%0.809SS**  trans-13585.8156.4-17511.6000110.1
180L30.7Very low26.5Very low152 Ų152134.1 Ų134.180%0.79680%0.797SS**  trans-132.696.4160.9-74.4177.9000106.9I182L180-I182 VanDerWaalsContact C-N 3.27Å; L180-I182 PolarHBondContact O-N 3.14Å
181G25.1Very low26.3Very low79 Ų79138.6 Ų138.681%0.81480%0.802SS**  trans-62.578.6-178.100000114.5
182I29.3Very low26.2Very low128 Ų128132.7 Ų132.766%0.65680%0.797SS**  trans-119.6114164.1-57.4176.4000106L180 V184L180-I182 VanDerWaalsContact C-N 3.27Å; L180-I182 PolarHBondContact O-N 3.14Å; I182-V184 HydrophobicContact CG2-CG2 4.05Å; I182-V184 PolarHBondContact O-N 3.45Å; I182-V184 VanDerWaalsContact O-N 3.08Å
183P25.6Very low26.1Very low127 Ų127131.2 Ų131.283%0.82580%0.797SS**  trans-69.4106.8171.128.4-31.6000108.9
184V27.5Very low26.1Very low109 Ų109133.7 Ų133.766%0.66180%0.803SS**  trans-99106.2169.5179.90000107.6I182 S186I182-V184 HydrophobicContact CG2-CG2 4.05Å; I182-V184 PolarHBondContact O-N 3.45Å; I182-V184 VanDerWaalsContact O-N 3.08Å; V184-S186 PolarHBondContact O-N 2.85Å; V184-S186 PolarHBondContact O-OG 2.89Å
185D24.8Very low25.9Very low166 Ų166133.4 Ų133.489%0.88880%0.801SS**  trans-57.4108.1174.1-76.7-32.4000109.7
186S25.5Very low25.9Very low114 Ų114134 Ų13480%0.79780%0.803SS**  trans-115103.6-168.721.60000110.2V184V184-S186 PolarHBondContact O-N 2.85Å; V184-S186 PolarHBondContact O-OG 2.89Å
187S24.4Very low25.9Very low107 Ų107137.2 Ų137.275%0.74881%0.805SS**  trans-146.4134.8167.660.90000110.2
188S23.9Very low25.8Very low120 Ų120136.4 Ų136.484%0.83980%0.802SS**  trans59.3134.6-156.572.30000112.9
189V25.6Very low25.9Very low133 Ų133129.9 Ų129.981%0.80679%0.792SS**  cis-125.414129.6173.40000112.1
190S23.2Very low25.8Very low107 Ų107128 Ų12875%0.74879%0.79SS**  trans-94.3129.2164.554.20000110.4
191L22.9Very low25.5Very low172 Ų172127.7 Ų127.790%0.90179%0.788SS**  trans-75.6134.7171.7-76.5163.5000111.2
192S24.1Very low25.4Very low116 Ų116129.8 Ų129.881%0.81178%0.78SS**  trans-127.4140.8160.256.70000109.7
193T22.7Very low25.1Very low144 Ų144132.6 Ų132.688%0.88379%0.788SS**  trans-101.6129.3-17349.90000111.5
194S26.8Very low25Very low120 Ų120132.6 Ų132.684%0.83979%0.791SS**  trans-149.4140158.5560000110.3
195Q24.1Very low24.8Very low181 Ų181131.5 Ų131.585%0.84679%0.794SS**  trans-90.8147.8175.5-62.8153.3-91.500109.6
196T29.6Very low24.7Very low129 Ų129131.5 Ų131.579%0.79179%0.793SS**  trans178.6112130.423.40000112.2
197D26.4Very low25Very low131 Ų131131.2 Ų131.270%0.70179%0.788SS**  48.9109.9125.7-53-6.4000122.5
198N25.6Very low25Very low145 Ų145131 Ų13178%0.77579%0.785SS**  77.2150.2127-62.3-32.3000124
199S30.2Very low25Very low105 Ų105132.9 Ų132.973%0.73479%0.785SS**  trans74.679.3159.556.10000121.9
200S23.8Very low25Very low103 Ų103131.3 Ų131.372%0.7278%0.78SS**  45.2128.2113.566.50000123.4
201L24.6Very low25.3Very low145 Ų145133.5 Ų133.576%0.75978%0.782SS**  trans94.1103.4144.6-64.9162.5000122.1
202N23.2Very low25.5Very low123 Ų123130.9 Ų130.966%0.65877%0.773SS**  82.8120.2120.5-73.57.1000125
203F22Very low25.9Very low187 Ų187131.1 Ų131.182%0.8277%0.77SS**  trans51.3113.3139.5-64.1-66.2000122.5
204S24.8Very low26.2Very low127 Ų127134.1 Ų134.189%0.88877%0.771SS**  -177176.7110.844.20000110.2
205A22.8Very low26.2Very low86 Ų86133.9 Ų133.971%0.71177%0.767SS**  trans-147143.9-168.200000115.5
206L23.6Very low26.2Very low166 Ų166133.1 Ų133.187%0.86977%0.766SS**  trans68.3167.5159.3-65.6166.4000115.9
207P31.8Very low26Very low109 Ų109132.9 Ų132.971%0.70876%0.764SS**  cis-138.4-172.910.344.5-27.2000117.8
208C23.7Very low25.8Very low101 Ų101137.3 Ų137.368%0.68277%0.771SS**  trans91.4112145.4-76.40000123.2
209L24.4Very low25.8Very low160 Ų160135.7 Ų135.784%0.83877%0.77SS**  63.3130.5128.7-60.1169.3000118.9
210S24.9Very low25.7Very low100 Ų100136 Ų13670%0.69977%0.77SS**  cis-158.8-156.38.8490000109
211I30.4Very low25.7Very low154 Ų154137.2 Ų137.279%0.7977%0.773SS**  cis-153-127.417.6-161.1162.4000112.6
212T26.7Very low25.8Very low116 Ų116135.6 Ų135.671%0.71277%0.774SS**  trans-105.1161.6-172.2570000112.7
213T31.5Very low25.8Very low122 Ų122136.5 Ų136.575%0.74878%0.778SS**  cis-142.4132.714.947.40000113.4
214K28.5Very low26.1Very low206 Ų206133.3 Ų133.390%0.89678%0.779SS**  trans57147.2158.3-68.4-174.7178.3179.70118.7
215P28.2Very low26.1Very low116 Ų116134.7 Ų134.775%0.75377%0.771SS**  trans-99.5124.4-146.235-32.8000115.8V217P215-V217 HydrophobicContact CB-CG2 4.26Å
216I22.8Very low26.1Very low164 Ų164136.3 Ų136.384%0.84178%0.777SS**  trans-91.3122.1138.1-63170.9000106.2
217V26.3Very low26.1Very low124 Ų124135 Ų13575%0.75277%0.77SS**  trans-137.1113.7164-178.60000109.5P215P215-V217 HydrophobicContact CB-CG2 4.26Å
218R22.3Very low25.6Very low224 Ų224135.2 Ų135.285%0.84577%0.774SS**  trans-92.4131.5159.3-93.1179.4164.8147.4-7.4108.2
219C24.7Very low25.6Very low111 Ų111136.9 Ų136.975%0.7578%0.775SS**  trans65.8176.8145.8-59.40000115.3
220P29.5Very low25.5Very low113 Ų113134.1 Ų134.173%0.73477%0.768SS**  cis-131.6175.6642.8-26.2000117.2
221V22.9Very low25.7Very low128 Ų128134.9 Ų134.978%0.77677%0.768SS**  trans21.6122.6145.8-178.50000118.8
222S26.5Very low25.4Very low111 Ų111135.2 Ų135.278%0.77677%0.772SS**  trans-147.1129.6136.555.30000110.5
223N23.7Very low25.5Very low142 Ų142132.5 Ų132.576%0.75977%0.767SS**  trans-75.9129.1170.9-67-14.5000108.8
224S28Very low25.2Very low119 Ų119135.1 Ų135.183%0.83278%0.776SS**  trans-110.988.6168.242.90000110.4
225H24.7Very low25.2Very low157 Ų157130 Ų13073%0.72777%0.773SS**  trans-57.5138.6158.2-74.5-118.1000108.4I227H225-I227 VanDerWaalsContact C-N 3.28Å; H225-I227 PolarHBondContact O-N 3.06Å
226S22.9Very low24.9Very low119 Ų119129.5 Ų129.583%0.83278%0.778SS**  trans-72.783.1174.154.50000110.2S228S226-S228 PolarHBondContact O-N 3.25Å; S226-S228 VanDerWaalsContact O-N 3.09Å
227I23.9Very low25Very low140 Ų140130 Ų13072%0.71878%0.781SS**  trans-69.7103.7172.1-60177.7000108.2H225 I229H225-I227 VanDerWaalsContact C-N 3.28Å; H225-I227 PolarHBondContact O-N 3.06Å; I227-I229 HydrophobicContact CG2-CG1 3.92Å; I227-I229 PolarHBondContact O-N 3.49Å; I227-I229 VanDerWaalsContact O-N 3.08Å
228S20.9Very low24.9Very low113 Ų113131.4 Ų131.479%0.7978%0.784SS**  trans-74.291.6171.153.60000109.8S226 S230S226-S228 PolarHBondContact O-N 3.25Å; S226-S228 VanDerWaalsContact O-N 3.09Å; S228-S230 PolarHBondContact O-N 3.01Å
229I24.3Very low25Very low136 Ų136128.3 Ų128.370%0.69778%0.783SS**  trans-74.797.1171.5-53-178.2000108.4I227 V231I227-I229 HydrophobicContact CG2-CG1 3.92Å; I227-I229 PolarHBondContact O-N 3.49Å; I227-I229 VanDerWaalsContact O-N 3.08Å; I229-V231 HydrophobicContact CG2-CG2 3.74Å
230S22.3Very low25Very low101 Ų101130.3 Ų130.371%0.70679%0.787SS**  trans-72.8128.8162.3-174.80000109S228S228-S230 PolarHBondContact O-N 3.01Å
231V28.5Very low24.7Very low116 Ų116127.6 Ų127.670%0.70378%0.779SS**  trans-120.695.1174-171.60000108.9I229 G233I229-V231 HydrophobicContact CG2-CG2 3.74Å; V231-G233 PolarHBondContact O-N 3.48Å
232N24.2Very low24.8Very low162 Ų162128.6 Ų128.687%0.86678%0.781SS**  trans-72.1111.9160.7-77.6-16.1000108
233G28.6Very low24.7Very low59 Ų59130.4 Ų130.461%0.60878%0.781SS**  trans168119.6176.200000113.8V231 A235V231-G233 PolarHBondContact O-N 3.48Å; G233-A235 PolarHBondContact O-N 3.42Å
234N24.8Very low24.8Very low176 Ų176131 Ų13194%0.94179%0.785SS**  trans-64.4110.8-177.9-65.2-24.9000112.8
235A28.9Very low24.7Very low100 Ų100131.2 Ų131.283%0.82679%0.786SS**  trans-152107.415800000110.7G233G233-A235 PolarHBondContact O-N 3.42Å
236A23.2Very low24.8Very low104 Ų104128.5 Ų128.586%0.8679%0.785SS**  trans-95122171.400000110.1
237L24.8Very low25Very low174 Ų174134.2 Ų134.291%0.91179%0.79SS**  trans-146.8123.8159.6-105.3176.3000110.8
238L22.4Very low25.1Very low154 Ų154132.8 Ų132.881%0.80679%0.792SS**  trans-90.5136.4166.2-72.5156.8000108.3
239L24.7Very low25.3Very low159 Ų159136.3 Ų136.383%0.83279%0.793SS**  165.3120109-85.8177.1000112.7
240N25Very low25.4Very low153 Ų153140.7 Ų140.782%0.81880%0.803SS**  38113.8120-169.672.9000120.4
241G23.7Very low25.9Very low56 Ų56140.9 Ų140.958%0.57780%0.802SS**  102.6103.2122.500000119.3
242N24.7Very low25.9Very low150 Ų150145.6 Ų145.680%0.80281%0.813SS**  trans66.8129.5147.5-60.8-4.6000120.9
243N24.5Very low26.1Very low149 Ų149142.8 Ų142.880%0.79781%0.806SS**  trans34.6115.2135.8-52.7-1.8000119.3
244D26.2Very low26.2Very low155 Ų155146 Ų14683%0.82981%0.814SS**  -153.4142.9117.1-126.4-32.2000111.9
245S25.8Very low26.6Very low123 Ų123143 Ų14386%0.8681%0.807SS**  trans-141.368.8176.157.70000111.2
246S26.3Very low26.7Very low100 Ų100141.6 Ų141.670%0.69980%0.802SS**  trans-103.9118.1179.6-71.60000111.7
247Y27.3Very low27.1Very low239 Ų239145.2 Ų145.294%0.93780%0.801SS**  trans-122.5146.4160.5-105.3-83000110.3
248S26.9Very low27.4Very low110 Ų110141.9 Ų141.977%0.76979%0.788SS**  trans-86.9150.1-156.250.60000115.8
249F23.4Very low27.7Very low186 Ų186140.6 Ų140.682%0.81679%0.787SS**  trans-72.7149.2169.3-91.6-97.4000113.4
250Y27.1Very low27.8Very low229 Ų229139.4 Ų139.490%0.89878%0.78SS**  trans-138.9114144.9-106-76.5000109.4
251P32.3Very low27.9Very low105 Ų105138.8 Ų138.868%0.68278%0.782SS**  trans-103.4160.3-179.937.5-32.6000113.1
252K29.8Very low27.9Very low215 Ų215141 Ų14194%0.93579%0.788SS**  trans-142.7134.4160.1-141.7170.2-173.8176.80111.5
253S28.7Very low27.9Very low103 Ų103141.4 Ų141.472%0.7279%0.79SS**  trans-75.8168.8178.9-172.30000110.4
254T30.9Very low28Very low126 Ų126145.1 Ų145.177%0.77379%0.793SS**  cis-169.1145.242.3-640000108
255S32.7Very low27.9Very low113 Ų113144.9 Ų144.979%0.7979%0.791SS**  cis-155.5-170.6-7.251.80000107.2
256G30.5Very low28Very low71 Ų71148.8 Ų148.873%0.73279%0.793SS**  cis-175.6-156.411.200000109
257Q32.5Very low28.1Very low179 Ų179151 Ų15184%0.83680%0.797SS**  cis-147127.2-4.4-156.9-176.117.200108
258T30Very low28Very low105 Ų105145.8 Ų145.864%0.64479%0.79SS**  trans38.1141.615257.80000121.8I260T258-I260 HydrophobicContact CG2-CD1 4.24Å
259T29.1Very low28.1Very low126 Ų126146.3 Ų146.377%0.77379%0.789SS**  cis-136.3150.122.9520000110.6
260I25.6Very low28.2Very low135 Ų135144.5 Ų144.569%0.69279%0.786SS**  cis70.1113.742.8-55177.1000110.7T258T258-I260 HydrophobicContact CG2-CD1 4.24Å
261T28Very low28.3Very low140 Ų140140 Ų14086%0.85978%0.778SS**  -142174.770.943.20000114.6
262S22.9Very low28Very low102 Ų102141.9 Ų141.971%0.71378%0.782SS**  trans-148.9173.7178.266.50000112.2
263L24.8Very low27.8Very low159 Ų159142.5 Ų142.583%0.83278%0.779SS**  trans70.7158.9173.5-56.4162.3000114
264R27.5Very low27.8Very low227 Ų227143 Ų14386%0.85778%0.78SS**  cis-155.4150.218.4-157.8175.9-169.4166.53.7111.8
265N23.5Very low27.8Very low150 Ų150143 Ų14380%0.80278%0.782SS**  trans-79.1142.9172.6-117.8-7.3000112.8
266K29.1Very low27.4Very low204 Ų204145.6 Ų145.689%0.88779%0.786SS**  trans-152.8163.2156.6-92.1-159.6176.8-1760110.9
267N27.6Very low27.5Very low146 Ų146147.3 Ų147.378%0.78178%0.784SS**  trans-105.9146.9-154.1-73.6-9.5000116.5
268V25.6Very low27Very low130 Ų130149.7 Ų149.779%0.78879%0.787SS**  trans58.8118.3135.8176.20000120.2
269T27.9Very low26.8Very low122 Ų122149.7 Ų149.775%0.74879%0.791SS**  -155.9137.6116.834.60000111
270L26.9Very low26.4Very low147 Ų147151.1 Ų151.177%0.7779%0.794SS**  trans26.4119.8141-63.3161000117.3
271N27.9Very low26.4Very low135 Ų135152.3 Ų152.372%0.72280%0.8SS**  cis-160.1172.542.4-88.6-31.4000114
272D27.6Very low26.1Very low144 Ų144151.4 Ų151.477%0.7780%0.8SS**  trans61.177.8156.8-66.2-49.2000121.6
273R25.3Very low26.1Very low228 Ų228151.5 Ų151.586%0.8680%0.799SS**  7592.2113.1-160.7179-164177.35120.1
274P27.1Very low26.1Very low115 Ų115150.3 Ų150.375%0.74780%0.798SS**  trans-89.5167.6156.937.9-34.3000112.5
275P31.5Very low26Very low125 Ų125149.6 Ų149.681%0.81280%0.801SS**  trans-107.1130.7160.934.8-25.6000112.6
276L25.7Very low26.2Very low167 Ų167148.7 Ų148.787%0.87479%0.79SS**  trans-94.3155.2159.3-80.6167000109.5
277P32.5Very low26.1Very low107 Ų107141.4 Ų141.470%0.69577%0.765SS**  trans-80.4140.3173.133.1-33.4000111.4
278Y21.6Very low26Very low229 Ų229138.4 Ų138.490%0.89875%0.748SS**  trans-175.5172.3139.5-119.2-80.4000111.9
279S24.9Very low25.8Very low105 Ų105136.2 Ų136.273%0.73474%0.744SS**  trans72.5114.3164.758.80000118.9
280D20.3Very low25.5Very low157 Ų157136.3 Ų136.384%0.8474%0.744SS**  trans-56.9144146.7-57.8-85.5000111.4
281I25.4Very low25.2Very low159 Ų159135.2 Ų135.282%0.81574%0.743SS**  trans-163.1131.1137.4-100.7150.8000107.5
282S21.9Very low25Very low121 Ų121139.4 Ų139.485%0.84675%0.749SS**  trans-95.411917958.30000111.6
283C23.2Very low24.7Very low104 Ų104140.1 Ų140.170%0.70375%0.751SS**  trans-149.2106.1162.259.40000114.4
284V24.4Very low24.5Very low134 Ų134133.9 Ų133.981%0.81274%0.742SS**  trans53.6109.9142.5-170.40000118.9
285K27Very low24.3Very low212 Ų212132.7 Ų132.792%0.92274%0.742SS**  -128.7145.9123.6-119.4176.3-176.5177.40110
286K26.1Very low23.9Very low132 Ų132132.4 Ų132.457%0.57474%0.738SS**  trans-58.4153.5-177.6-57.9-174.7176.6-169.10109.9N111N111-K286 PolarHBondContact OD1-NZ 2.98Å; N111-K286 VanDerWaalsContact OD1-NZ 3.11Å
287S27.6Very low24Very low51 Ų51131.1 Ų131.136%0.35773%0.732SS.*  177.1167.165.939.40000116.3R109R109-S287 VanDerWaalsContact CD-CB 3.43Å; R109-S287 WeakPolarHBondContact CD-OG 3.43Å; R109-S287 PolarHBondContact NH1-OG 2.95Å; R109-S287 PolarHBondContact NH2-O 3.2Å
288I25.1Very low23.5Very low82 Ų82131.6 Ų131.642%0.42174%0.738SS.*  trans-80.4135.1-156.4-69.4152.7000116.2R109 T110R109-I288 PolarHBondContact NE-O 3.43Å; R109-I288 VanDerWaalsContact NH2-C 3.26Å; R109-I288 PolarHBondContact NH2-O 3.14Å; T110-I288 VanDerWaalsContact O-CD1 3.22Å; T110-I288 WeakPolarHBondContact O-CD1 3.31Å
289A21.5Very low23.9Very low85 Ų85125.7 Ų125.770%0.70274%0.736SS**  trans-67.8145.617000000112.7
290V22.9Very low24Very low123 Ų123126.8 Ų126.875%0.74573%0.725SS**  trans-137109.1165.4178.10000108.7
291V20.4Very low24.5Very low125 Ų125126 Ų12676%0.75873%0.725SS**  trans-79138.5159.7172.30000107.8I293V291-I293 HydrophobicContact CG1-CD1 4.49Å; V291-I293 HydrophobicContact CG1-CG1 4.02Å
292R22.1Very low24.4Very low223 Ų223123.2 Ų123.284%0.84271%0.711SS**  trans-132.4113.8163.3-175.4-174.5-72.7-171.7-2.9108.9
293I22.5Very low24.6Very low159 Ų159121.1 Ų121.182%0.81570%0.697SS**  trans-95.4118.7171.4-61.7171.8000108.4V291V291-I293 HydrophobicContact CG1-CD1 4.49Å; V291-I293 HydrophobicContact CG1-CG1 4.02Å
294S21.3Very low24.6Very low97 Ų97122.9 Ų122.968%0.67870%0.699SS**  trans-170.5133153.455.70000109.3
295A21.9Very low24.7Very low90 Ų90123.5 Ų123.574%0.74470%0.697SS**  trans-67.3170176.800000111.6
296T23.6Very low25Very low118 Ų118118.9 Ų118.972%0.72469%0.689SS**  cis-154.717340.352.90000115
297N26.9Very low25.4Very low140 Ų140118.7 Ų118.775%0.74970%0.701SS**  trans7689.6154.4-66.2-13.6000121.6
298S23.9Very low25.3Very low117 Ų117128 Ų12882%0.81873%0.728SS**  47.4105.8114.5-550000121.9
299A29.7Very low25.6Very low105 Ų105130.5 Ų130.587%0.86874%0.742SS**  trans-163.2154.2131.600000111.9
300R25.7Very low26.4Very low129 Ų129132.5 Ų132.549%0.48775%0.749SS.*  trans-111.9156166.9-63.3176.6-179.1160.5-6.9109.6R353 Y354 R355R300-R353 VanDerWaalsContact CZ-O 3.24Å; R300-R353 VanDerWaalsContact NH1-C 3.35Å; R300-R353 PolarHBondContact NH1-O 3.43Å; R300-R353 PolarHBondContact NH2-O 3.38Å; R300-Y354 VanDerWaalsContact NH2-C 3.33Å; R300-Y354 PolarHBondContact NH2-O 3.01Å; R300-R355 PolarHBondContact NH2-O 3.42Å
301V30.7Very low26.7Very low140 Ų140133.3 Ų133.385%0.84875%0.747SS**  trans-161.8173.5136.3125.40000111.8
302L24.6Very low27.1Very low100 Ų100134.6 Ų134.652%0.52475%0.75SS.*  trans-78.4151.2-173.8-9970.3000115.2R353L302-R353 HydrophobicContact CD1-CG 4.4Å
303S25Very low27.5Very low77 Ų77128.8 Ų128.854%0.53874%0.739SS.*  trans5.2131.8146.158.20000120.4
304N24.7Very low27.7Very low141 Ų141128.2 Ų128.275%0.75474%0.736SS**  -177.815697.8-100.2-19.8000114.8
305L26.1Very low27.9Very low147 Ų147128 Ų12877%0.7773%0.734SS**  trans48.7128.1159.3-8477.1000120.9
306P33.3Very low28.2Very low116 Ų116129.9 Ų129.975%0.75374%0.736SS**PPolyproline II helixtrans-76.7156.4153.834.3-32.8000111.5
307P33.3Very low28.4Very low127 Ų127134.6 Ų134.683%0.82574%0.741SS**PPolyproline II helixtrans-81163.1-172.132.7-36.4000114.7
308R27.2Very low28.5Very low246 Ų246134.4 Ų134.493%0.92874%0.74SS**PPolyproline II helixtrans-89.1146.5-176.8-153.2177.7-167.8178.72.7111.6
309N30.7Very low28.7Very low135 Ų135133.4 Ų133.472%0.72273%0.733SS**PPolyproline II helixtrans-62.4151.9179.1-63.4-12.1000113.7
310P38.1Very low29.1Very low128 Ų128134.6 Ų134.683%0.83173%0.732SS**PPolyproline II helixtrans-71.2159.2150.933.5-33000111
311I29Very low29.2Very low140 Ų140136.4 Ų136.472%0.71875%0.746SS**  trans-123.5154.1-165.8-67.1162000110.1
312N29.9Very low29.5Very low152 Ų152134.8 Ų134.881%0.81374%0.738SS**  trans174148.3140.8-89.6-12000111.5
313V28.7Very low29.7Very low100 Ų100135.9 Ų135.961%0.60674%0.744SS**  cis-171.4128.2-22113.30000106.1
314I27Very low29.9Very low148 Ų148139.6 Ų139.676%0.75975%0.752SS**  62.5139.496.9-80.6170.7000114
315S26.5Very low30.2Very low91 Ų91137.5 Ų137.564%0.63675%0.749SS**  cis-158.9158.51.2-1130000110.6
316V27.9Very low30.4Very low131 Ų131141.1 Ų141.179%0.79475%0.754SS**  63.6131.176-173.30000116.8
317R27.7Very low30Very low217 Ų217140.2 Ų140.282%0.81975%0.75SS**  trans176.8154.7145-94.2-174.7-171.9-152.2-1.4108.7
318N29.4Very low29.8Very low136 Ų136139 Ų13973%0.72774%0.744SS**  cis-152.2167.710.8-130.113.1000111.9
319S27.7Very low29.8Very low96 Ų96135.3 Ų135.367%0.67174%0.737SS**  trans-102.5-171.6174.355.80000113.1
320P39.3Very low29.6Very low129 Ų129137 Ų13784%0.83874%0.741SS**  -138-178.9102.539.9-28.1000116
321E26.2Very low29.1Very low168 Ų168138.2 Ų138.279%0.78574%0.741SS**  trans-109.8-164.1-167.2-138.4-164.9-106.200110.5L323E321-L323 PolarHBondContact OE2-N 3.05Å
322P37.8Very low28.9Very low106 Ų106138.6 Ų138.669%0.68874%0.743SS**  cis-154.4173.64145.9-23.4000121.4
323L28Very low29Very low122 Ų122139.9 Ų139.964%0.63975%0.749SS**  trans96.8120.6147.4-65.1-168.5000123.1E321E321-L323 PolarHBondContact OE2-N 3.05Å
324H29.7Very low28.8Very low156 Ų156139.6 Ų139.672%0.72275%0.751SS**  trans71.2130.6146.8-66.6-49000119.2
325S30.5Very low28.7Very low97 Ų97140.5 Ų140.568%0.67876%0.758SS**  cis-148.8145.810.9-48.30000115.3
326Y29.9Very low28.8Very low223 Ų223139.8 Ų139.888%0.87577%0.765SS**  trans52.592.9154.1-69.3-68.3000122.1
327S25.1Very low28.8Very low96 Ų96137.8 Ų137.867%0.67176%0.762SS**  trans-64167.2140.751.10000112.1
328S29.3Very low28.8Very low101 Ų101138.1 Ų138.171%0.70676%0.763SS**  155.9168.183.650.50000109.5
329H28.2Very low28.7Very low169 Ų169141.7 Ų141.778%0.78277%0.766SS**  cis-149.9167.5-15.8-126.1-66.3000108.8
330E25.3Very low28.8Very low170 Ų170145.7 Ų145.779%0.79477%0.772SS**  trans-64.4162.6169.2-53.2174.5122.700113.1
331N28.9Very low28.3Very low155 Ų155144.5 Ų144.583%0.82977%0.767SS**  trans-156.3160.2150.1-125.6-50.6000114.7
332L24.1Very low28.4Very low147 Ų147143.2 Ų143.277%0.7777%0.765SS**  trans-85.6158.3175.2-50.397.7000111.1
333L31Very low28Very low179 Ų179144.8 Ų144.894%0.93777%0.766SS**  164.8165.5127.1-88.2160.2000112.1
334S25.4Very low28.1Very low94 Ų94144.5 Ų144.566%0.65777%0.765SS**  trans-140.7154.4-174.460.60000113.2
335N25.4Very low28.1Very low168 Ų168144.4 Ų144.490%0.89877%0.765SS**  trans85.6138.6173.9-57-48.1000118.1
336G27.2Very low27.9Very low75 Ų75147 Ų14777%0.77377%0.771SS**  trans116.373.617500000114
337A28.5Very low28.4Very low89 Ų89141.2 Ų141.274%0.73676%0.761SS**  cis93.2124.832.200000116
338R28.8Very low28.5Very low225 Ų225143.7 Ų143.785%0.84976%0.762SS**  trans86.3110.3169-54.6178.3-177.7-170.31.8115.9
339R26.6Very low28.4Very low210 Ų210148.5 Ų148.579%0.79276%0.764SS**  90.114389.4-78.5179.4-179.3-170.4-0.4111.8
340F29.3Very low28.2Very low180 Ų180144.8 Ų144.879%0.78976%0.763SS**  cis-139.5163.733.3-76.6-103.1000114.9
341S29.1Very low28.3Very low104 Ų104144.1 Ų144.173%0.72777%0.765SS**  trans59.8139.8150.9470000120.6
342L29.2Very low28.2Very low142 Ų142144.7 Ų144.774%0.74377%0.767SS**  cis-160.6143.6-5.9-142.281.3000109.8
343I29.4Very low28.2Very low139 Ų139145.3 Ų145.371%0.71376%0.759SS**  trans47.2132.2136.4-75.5175.7000119.8
344D28.4Very low27.9Very low116 Ų116147.1 Ų147.162%0.6276%0.755SS**  cis-158.9173.712.1-134.8-25.1000116.7
345Q30.5Very low27.9Very low154 Ų154153 Ų15372%0.7276%0.763SS**  trans10135.4160.4-73.9153.873.100122.5
346N25.9Very low27.8Very low150 Ų150149.6 Ų149.680%0.80275%0.752SS**  cis87.6163.242.4-147.438.1000113.1
347P41.6Very low27.8Very low102 Ų102151.8 Ų151.866%0.66275%0.75SS**  -136.7176.9-87.144.4-29000116.4
348E26.4Very low27.6Very low148 Ų148154.5 Ų154.569%0.69275%0.752SS**  trans-174.9162.1144.9-112-161.2-171.100110.1
349R27.1Very low27.6Very low202 Ų202149.1 Ų149.176%0.76274%0.744SS**  cis-151.4172.70.3-149.4177.4-169.1122.8-2.3109.5
350A25.3Very low27.4Very low92 Ų92145.8 Ų145.876%0.7674%0.742SS**  trans-130.4162-174.800000116.7
351N26.8Very low27.2Very low155 Ų155143.6 Ų143.683%0.82974%0.743SS**  trans-42.6156.9-177.7-63.4-64.1000119.4
352L26Very low27.1Very low168 Ų168146.7 Ų146.788%0.8875%0.751SS**  trans-140.3155.2151.5-81.3-177000114.1
353R25.4Very low27.1Very low159 Ų159145 Ų14560%0.675%0.751SS**  trans-107.3179.2-175.5-102.7-173.6175.7-177.2-1.5114R300 L302R300-R353 VanDerWaalsContact CZ-O 3.24Å; R300-R353 VanDerWaalsContact NH1-C 3.35Å; R300-R353 PolarHBondContact NH1-O 3.43Å; R300-R353 PolarHBondContact NH2-O 3.38Å; L302-R353 HydrophobicContact CD1-CG 4.4Å
354Y24.3Very low27.2Very low218 Ų218143 Ų14386%0.85575%0.747SS**  trans-83.5173.5-177.1-116.7-96.1000117.1R300R300-Y354 VanDerWaalsContact NH2-C 3.33Å; R300-Y354 PolarHBondContact NH2-O 3.01Å
355R24Very low27.2Very low216 Ų216144.1 Ų144.182%0.81575%0.753SS**  trans79.7108.7174.6-83.8-163.6173.4-169.6-1.6119.3R300R300-R355 PolarHBondContact NH2-O 3.42Å
356S25.2Very low27Very low97 Ų97141.6 Ų141.668%0.67875%0.752SS**  43.1144.4105.771.10000120.5
357V26.8Very low27.2Very low121 Ų121138.8 Ų138.873%0.73374%0.744SS**  cis-166.3149.4-1.7100.40000111.9
358L24.7Very low26.8Very low147 Ų147141.3 Ų141.377%0.7775%0.747SS**  trans54.6156.1163.7-57.7170.9000118.4
359T26.9Very low26.8Very low111 Ų111143 Ų14368%0.68175%0.747SS**  cis-154.9172.9-0.5-7.20000112
360N23.7Very low26.8Very low140 Ų140140.7 Ų140.775%0.74974%0.743SS**  trans79.8102.3155.9-66.5-2.4000121.6
361V25.2Very low27Very low135 Ų135143.8 Ų143.882%0.81874%0.74SS**  30.3115.5120.9-174.20000118.4
362L25.5Very low27.1Very low169 Ų169144.2 Ų144.289%0.88574%0.736SS**  trans-162.7130.9132.2-109159.5000110.4
363S30.1Very low27.1Very low106 Ų106141.9 Ų141.974%0.74173%0.734SS**  trans-131.7146.5165.1-178.90000106.9
364P31.2Very low27.2Very low98 Ų98138.7 Ų138.764%0.63674%0.736SS**  -148.7-176.5114.339.8-24.5000114.8
365N28.8Very low27.2Very low138 Ų138134 Ų13474%0.73873%0.734SS**  trans75.6101.4167.5-56-13.6000115.5
366S26.6Very low27.2Very low101 Ų101130.4 Ų130.471%0.70673%0.731SS**  73.3129.966.179.10000112.8
367S30Very low27.3Very low91 Ų91134 Ų13464%0.63674%0.736SS**  cis-157.8143.643.4-79.30000115.4
368Q31.9Very low27.1Very low156 Ų156139 Ų13973%0.72974%0.744SS**  trans66.4140.9135.9-67.9-17029.200120.9
369R27.8Very low27.3Very low182 Ų182138.3 Ų138.369%0.68775%0.745SS**  cis-167.2176.8-13.2-130.2175.3-173.9175.6-1.6111.8
370F27.2Very low27.2Very low155 Ų155141.4 Ų141.468%0.6875%0.752SS**  trans81.4152.4164.9-56.9-62000116.7
371F28.7Very low27.3Very low157 Ų157139.2 Ų139.269%0.68975%0.753SS**  cis-145.8106.2-3-130.8-46.8000112.8
372H28.4Very low27.1Very low164 Ų164141.6 Ų141.676%0.75976%0.758SS**  trans61.7160.1160.8-78.6-141.4000118.2
373S26.3Very low27.7Very low118 Ų118138.4 Ų138.483%0.82575%0.747SS**  cis-103.9160.94.9-161.40000113.7
374S28.5Very low27.3Very low92 Ų92140.9 Ų140.964%0.64375%0.752SS**  trans-115150.8-175-145.90000111.6
375C23Very low27.2Very low120 Ų120140.9 Ų140.981%0.81176%0.76SS**  trans-93.8139.2137.3-66.90000106.7
376D24.5Very low27.1Very low140 Ų140143.1 Ų143.175%0.74977%0.766SS**  trans-176.9156143.3-114.5-16.4000112.9
377H26.6Very low26.9Very low173 Ų173143.6 Ų143.680%0.80177%0.77SS**  trans73.6124.7170-72.973.9000120.6
378Y24.1Very low26.8Very low225 Ų225146.3 Ų146.388%0.88277%0.774SS**  trans-59.6148.8170.6-86-119.6000113.9
379V28.2Very low26.4Very low133 Ų133141.6 Ų141.681%0.80677%0.767SS**  trans-136143.3137.2-1800000109.8
380E25.1Very low26.3Very low177 Ų177139.4 Ų139.483%0.82777%0.768SS**  trans-29162.9-179.9-58.9170.3116.400123.5
381A25.8Very low26.2Very low93 Ų93140.2 Ų140.277%0.76977%0.774SS**  trans74.9102.1146.500000122.9
382M21.6Very low26.2Very low186 Ų186139.4 Ų139.492%0.91678%0.777SS**  40.9162.9115.8-87.4-169.6176.600123.2
383P36.3Very low26.1Very low101 Ų101138.2 Ų138.266%0.65678%0.775SS**  cis-135.8-172.8-10.736-14.9000115.4
384N22.8Very low26.2Very low159 Ų159141.8 Ų141.885%0.8578%0.775SS**  trans45.6106.1150.7-68.5-3.4000123
385A28.6Very low26.4Very low97 Ų97143.2 Ų143.280%0.80278%0.78SS**  trans-160.1139.4130.600000107.4
386Q26.2Very low26.7Very low185 Ų185144.4 Ų144.486%0.86478%0.778SS**  cis7710036.5-68.7-162-6.700116.4
387S23.8Very low26.9Very low112 Ų112143.2 Ų143.278%0.78378%0.779SS**  trans67.6179.6148.6-148.60000119.2
388M27.4Very low26.9Very low147 Ų147139.7 Ų139.772%0.72478%0.781SS**  trans69.2117.5175.6-45.8-52.2-75.800115.5I390M388-I390 HydrophobicContact CE-CD1 4.26Å
389G22.9Very low27.7Very low57 Ų57134.6 Ų134.659%0.58878%0.775SS**  cis79.3135-3.800000114.5
390I27.2Very low27.8Very low136 Ų136137.6 Ų137.670%0.69778%0.78SS**  trans70118.3-170.5-51.9174.1000109.4M388M388-I390 HydrophobicContact CE-CD1 4.26Å
391E24.7Very low28Very low172 Ų172132.7 Ų132.780%0.80477%0.77SS**  71.1-175.458.5-60.2-160158.200113.2
392D28.4Very low28Very low141 Ų141139.6 Ų139.675%0.75478%0.776SS**  trans73.7105.9-157.9-56.9-21.9000113.4
393I26Very low28.3Very low139 Ų139138 Ų13871%0.71377%0.771SS**  cis70.7100.132.2-49.5-176.6000114.4
394K29.4Very low28Very low193 Ų193137.7 Ų137.784%0.83978%0.777SS**  trans42.2100.2150.4-65.2-177.6177.1178.20119.3
395T32.1Very low28.4Very low121 Ų121139.5 Ų139.574%0.74278%0.777SS**  trans-5.9130.7137.954.60000119.5
396N28.8Very low28.5Very low146 Ų146140.4 Ų140.478%0.78178%0.775SS**  trans102.8125134.8-67.4-0.7000122.1
397C28.2Very low28.6Very low114 Ų114137.7 Ų137.777%0.7777%0.771SS**  trans80.381.2141.5-65.10000121.5
398A28.3Very low28.5Very low100 Ų100140.3 Ų140.383%0.82677%0.773SS**  57.5152.597.300000121.9
399P41Very low28.7Very low117 Ų117140.4 Ų140.476%0.7678%0.781SS**  trans-134.8175-146.243.4-27000117.2
400Q30Very low28.9Very low196 Ų196142.9 Ų142.992%0.91679%0.79SS**  trans177.3161.3148-98.9163.138.400110
401A28.4Very low29Very low75 Ų75141.5 Ų141.562%0.6279%0.792SS**  cis-173.9148.6-33.400000111.6
402R26.3Very low29.3Very low238 Ų238139.2 Ų139.290%0.89879%0.79SS**  trans66.5158.6165.4-58.9173.2-174.4-161.71.6115.2
403L28Very low29.6Very low153 Ų153138.2 Ų138.280%0.80179%0.789SS**  cis-154.4161.72.6-154.871.7000111.3
404A28.7Very low29.8Very low94 Ų94137.8 Ų137.878%0.77779%0.788SS**  trans62.3133.9152.200000122.6
405K31.2Very low30Very low196 Ų196136.4 Ų136.485%0.85278%0.782SS**  trans-94.9162.8162.3-60.1178.9177.9178.90109.8
406P31.8Very low30Very low117 Ų117136.1 Ų136.176%0.7678%0.776SS**  -121.3-146.682.116.85.3000110.5
407T27.3Very low30.2Very low127 Ų127135.2 Ų135.278%0.77978%0.776SS**  cis-155-1717.3-31.80000108.9
408M23.5Very low30.5Very low167 Ų167138 Ų13882%0.82378%0.778SS**  trans-138.4164.3169.4-53-161.7-46.100111.7
409V30.6Very low30.6Very low149 Ų149136 Ų13690%0.90377%0.768SS**  trans-170.2156.8130.7142.80000108.2
410S26.4Very low30.2Very low110 Ų110141.9 Ų141.977%0.76977%0.774SS**  trans-146.9162.3-161.147.90000114.7
411S30Very low30.1Very low107 Ų107139.3 Ų139.375%0.74877%0.767SS**  trans-165.8143.8165.253.20000108.6
412T31.9Very low30.2Very low123 Ų123143.4 Ų143.476%0.75578%0.779SS**  cis-158.7157.6-4.66.80000109.6
413T33.9Very low30.5Very low121 Ų121138.2 Ų138.274%0.74277%0.769SS**  trans52.8119.2162.658.20000118.5
414D29.7Very low30.4Very low129 Ų129137.9 Ų137.969%0.6977%0.767SS**  cis-169.3-170.2-9.5-119.6-51.8000107.2
415F34.1Very low30.4Very low164 Ų164144 Ų14472%0.71977%0.77SS**  cis-155.5-169.912.5-139-10.9000113.3
416N31.2Very low30.2Very low115 Ų115140.4 Ų140.462%0.61577%0.765SS**  trans-34148.9164.3-65.4-18.1000116.5
417T33.5Very low29.9Very low127 Ų127142.4 Ų142.478%0.77977%0.768SS**  cis-176168.20.223.40000107.2
418Q33.8Very low30Very low172 Ų172142.9 Ų142.980%0.80477%0.765SS**  cis-171.7149.8-13162.262.6-4300107.9
419G31.7Very low30.3Very low59 Ų59141.3 Ų141.361%0.60876%0.76SS**  trans75.9104.9168.900000114.8
420R31.9Very low30Very low240 Ų240139.2 Ų139.291%0.90675%0.752SS**  cis84.6133.429.2-146.8-178.8-158.1-164.95.4114.2
421N27.5Very low30.1Very low143 Ų143145.7 Ų145.777%0.76576%0.76SS**  trans-76169.5-173.3-44.6-48.9000113.2
422D31.9Very low30.1Very low161 Ų161146.8 Ų146.886%0.86176%0.757SS**  175.7161.9127.2-80.8-17.3000109
423D30.9Very low30.2Very low128 Ų128146.5 Ų146.568%0.68476%0.757SS**  -161147.5-51.9-157.116.1000109.9
424L26.5Very low29.9Very low146 Ų146150.9 Ų150.976%0.76476%0.76SS**  trans61.1161.3158.1-68.7165.5000124.5
425R28.5Very low29.8Very low222 Ų222150.6 Ų150.684%0.83876%0.759SS**  trans82.486.9158.9-76.2-178174.6167.10.4122.8
426T28.3Very low29.6Very low122 Ų122148.1 Ų148.175%0.74875%0.753SS**  39.4139.9110.862.60000122.9
427L24.5Very low29.5Very low158 Ų158149.4 Ų149.483%0.82776%0.76SS**  trans108146.4149-73.5176.8000120
428L30.7Very low29Very low137 Ų137148.7 Ų148.772%0.71776%0.76SS**  trans77.3113.8154.8-72157.7000121.3
429N27.8Very low29.4Very low134 Ų134146.2 Ų146.272%0.71776%0.759SS**  52.6102.7127.8-65.12.1000120.7
430S24.6Very low29.3Very low105 Ų105148.8 Ų148.873%0.73476%0.763SS**  36.7117.2124.255.90000119.8
431R29.8Very low29Very low247 Ų247140.4 Ų140.493%0.93273%0.731SS**  trans-143.3113.8136.3-114.3166.4-166.4-171.62.5113.1
432N29.5Very low29Very low129 Ų129138.1 Ų138.169%0.6971%0.712SS**  trans-48.9151.5159.4-79.3-13.8000111.1
433P33.2Very low28.8Very low118 Ų118134.1 Ų134.177%0.76669%0.69SS**  -94.1134.285.728-36.3000111.1
434R28.7Very low28.6Very low212 Ų212134.5 Ų134.580%0.869%0.691SS**  59.612256.3-79.3-170.6163.7-177-4111.6
435N28Very low29.4Very low124 Ų124132.9 Ų132.966%0.66369%0.689SS**  cis-167.2177.3-7.3-133.650.7000108.6
436N29.8Very low29.7Very low112 Ų112127.7 Ų127.760%0.59968%0.684SS**  trans74.6121.9155.2-74.752.1000120.8
437D29.4Very low29.8Very low141 Ų141128.2 Ų128.275%0.75469%0.688SS**  80.3122.1124.8-50-14.4000123.1
438S22.9Very low30Very low113 Ų113123.8 Ų123.879%0.7968%0.68SS**  trans-98.5169.8154.4-690000109.1
439P41.7Very low30.2Very low119 Ų119123.1 Ų123.177%0.77368%0.677SS**  cis-130.3-127.3-23.837.5-18.8000110.4
440V30.3Very low30.6Very low113 Ų113125.2 Ų125.269%0.68568%0.68SS**  trans87.4129.2172.9-1730000115.9
441R25.3Very low31.2Very low65 Ų65127 Ų12725%0.24568%0.679CS.*  trans-82.9167.8-179.9-56.5117.4140.8-60.9-0.5110.8H1280 E1283 S1284R441-H1280 PolarHBondContact NH2-O 2.79Å; R441-E1283 WeakPolarHBondContact CD-O 3.47Å; R441-E1283 WeakPolarHBondContact CD-OE2 3.41Å; R441-E1283 VanDerWaalsContact CZ-O 3.29Å; R441-E1283 IonicContact CZ-OE2 3Å; R441-E1283 PolarHBondContact NE-O 3.25Å; R441-E1283 IonicContact NE-OE2 2.69Å; R441-E1283 PolarHBondContact NE-OE2 3.26Å; R441-E1283 PolarHBondContact NH1-O 2.76Å; R441-E1283 IonicContact NH2-OE2 2.69Å; R441-E1283 PolarHBondContact NH2-OE2 2.74Å; R441-S1284 PolarHBondContact NH1-OG 2.96Å
442R26Very low31.3Very low95 Ų95120.5 Ų120.536%0.35867%0.672SS.*  147.1154.7118-82.6133.7173.6-160-16.9116E1283 N1285 D1286R442-E1283 PolarHBondContact NE-O 2.96Å; R442-N1285 WeakPolarHBondContact CD-O 3.22Å; R442-N1285 PolarHBondContact NE-O 3.11Å; R442-N1285 PolarHBondContact NH1-O 2.8Å; R442-N1285 PolarHBondContact NH2-O 3.38Å; R442-D1286 VanDerWaalsContact CD-C 3.49Å; R442-D1286 WeakPolarHBondContact CD-O 3.4Å; R442-D1286 PolarHBondContact NH1-O 3.36Å
443N28.8Very low31.4Very low76 Ų76117.7 Ų117.741%0.40667%0.674SS.*  trans74.493.9159.3-65.59.7000120.7V1287N443-V1287 VanDerWaalsContact ND2-CG2 3.31Å; N443-V1287 WeakPolarHBondContact ND2-CG2 3.22Å
444I27.5Very low31.4Very low136 Ų136116.5 Ų116.570%0.69767%0.668SS**  64.1124.3114.7-64.2157.6000118.8
445P43.1Very low31.4Very low113 Ų113113.1 Ų113.173%0.73467%0.666SS**  trans-87.3175.417740.3-38.8000112.7
446P34.8Very low31.5Very low113 Ų113112.7 Ų112.773%0.73467%0.668SS**  -147.4170.59841-26.2000116.2
447T29.2Very low31.5Very low133 Ų133112.1 Ų112.182%0.81667%0.673SS**  trans15.7131.3151.858.30000120
448G28.1Very low31.5Very low65 Ų65111.4 Ų111.467%0.6767%0.669SS**  cis102.5148.611.700000113.7
449N35.9Very low31.8Very low123 Ų123113.1 Ų113.166%0.65866%0.664SS**  trans-163.3124.4164.1-92.7-34.3000108.6
450K36.3Very low30.9Very low178 Ų178116 Ų11677%0.77467%0.672SS**  76.8163.477.7-71.5-169.7-159.1116.90111.9
451I36.6Very low30.8Very low141 Ų141118.4 Ų118.472%0.72367%0.674SS**  cis-126.2122.913.7-78.680.3000107.4
452S32.2Very low31Very low112 Ų112122.9 Ų122.978%0.78370%0.702SS**  65.3141.998.6-144.20000115.5
453G30.8Very low30.8Very low70 Ų70126.3 Ų126.372%0.72273%0.726SS**  cis-174.4-160.93.700000111
454S33.5Very low30.7Very low92 Ų92133.9 Ų133.964%0.64375%0.749SS**  cis-164.71493.559.70000112.9
455N28.7Very low30.5Very low142 Ų142131.8 Ų131.876%0.75975%0.747SS**  trans93.2139.8148.1-59.7-18.6000118.7
456T31Very low29.7Very low115 Ų115132.4 Ų132.471%0.70675%0.753SS**  cis-159.3148.7-1.76.60000111.4
457S30Very low29.1Very low99 Ų99137.3 Ų137.369%0.69276%0.764SS**  trans62.3146147.4-69.10000120.9
458D29Very low29.1Very low127 Ų127137 Ų13768%0.67977%0.766SS**  cis-161.3166.3-16.5-124.1-60.1000113.8
459Q28.8Very low28.9Very low149 Ų149137.1 Ų137.170%0.69677%0.768SS**  trans51.8114.2157.9-68.6-179.98100121.5
460L22.7Very low28.5Very low179 Ų179137.1 Ų137.194%0.93777%0.773SS**  trans-100.8108.2143.9-107.4172.5000109.8
461K29.4Very low28Very low164 Ų164136.5 Ų136.571%0.71378%0.778SS**  trans-149.8107.7167.3-83.4-173178.8173.60111.3
462N28.1Very low27.6Very low158 Ų158136.7 Ų136.785%0.84578%0.781SS**  -178.7144.8106.4-97.1-30000113.5
463I22.7Very low27.5Very low167 Ų167136.1 Ų136.186%0.85677%0.766SS**  trans-86.4118.5161.2-65.1159.6000107.4
464R25.8Very low27.4Very low235 Ų235139.4 Ų139.489%0.88777%0.767SS**  trans-161.6146.2138.1-121.5179.4-179.9-169.1-1114.6
465S23.4Very low27.1Very low93 Ų93142.9 Ų142.965%0.6577%0.767SS**  trans-53.6139.7170.9510000114.3
466S26.4Very low27.2Very low125 Ų125143.1 Ų143.187%0.87476%0.761SS**  trans-145.4122.7148.3-76.90000108.8
467F23.3Very low27.1Very low217 Ų217145.3 Ų145.395%0.95276%0.756SS**  trans-78.7119176.6-93.1-111.9000110.1
468S28.1Very low27.1Very low125 Ų125143.6 Ų143.687%0.87474%0.739SS**  trans-168.4135.1149-170.60000109.6
469G24.7Very low27.1Very low69 Ų69145 Ų14571%0.71174%0.742SS**  cis160.74.9-0.800000117.3
470T28.2Very low27.3Very low123 Ų123142.2 Ų142.276%0.75573%0.731SS**  trans-139.5122.1179.451.10000112.7N472T470-N472 PolarHBondContact O-N 3.14Å
471N25Very low27.5Very low164 Ų164139.2 Ų139.288%0.87772%0.721SS**  trans-75.5105.9170.4-73.4-28.8000110.3Q473N471-Q473 PolarHBondContact O-N 3.46Å
472N28.4Very low27.7Very low146 Ų146135.3 Ų135.378%0.78172%0.715SS**  trans-82103.9159-84.62.1000108.7T470 N474T470-N472 PolarHBondContact O-N 3.14Å; N472-N474 PolarHBondContact O-N 3.22Å
473Q29.1Very low28.1Very low100 Ų100131.4 Ų131.447%0.46770%0.697SS.*  trans-63.7130.4165.2-70.3180-20.600108.8N471 Y475N471-Q473 PolarHBondContact O-N 3.46Å; Q473-Y475 VanDerWaalsContact C-N 3.3Å; Q473-Y475 HydrophobicContact CB-CD2 4.26Å; Q473-Y475 HydrophobicContact CB-CE2 3.91Å; Q473-Y475 VanDerWaalsContact O-CD2 3.23Å; Q473-Y475 WeakPolarHBondContact O-CD2 3.45Å; Q473-Y475 PolarHBondContact O-N 3.01Å; Q473-Y475 PolarHBondContact OE1-OH 3.28Å
474N29.2Very low28.6Very low139 Ų139132.7 Ų132.774%0.74369%0.691SS**  trans-76.980.6177.6-81.8-18.3000110.4N472 F476N472-N474 PolarHBondContact O-N 3.22Å; N474-F476 HydrophobicContact CB-CE2 4.23Å; N474-F476 WeakPolarHBondContact O-CD2 3.47Å; N474-F476 PolarHBondContact O-N 2.9Å
475Y27.8Very low28.8Very low165 Ų165125.3 Ų125.365%0.64768%0.68SS**  trans-63101.4172.4-67.9-83.8000110.9Q473 R477Q473-Y475 VanDerWaalsContact C-N 3.3Å; Q473-Y475 HydrophobicContact CB-CD2 4.26Å; Q473-Y475 HydrophobicContact CB-CE2 3.91Å; Q473-Y475 VanDerWaalsContact O-CD2 3.23Å; Q473-Y475 WeakPolarHBondContact O-CD2 3.45Å; Q473-Y475 PolarHBondContact O-N 3.01Å; Q473-Y475 PolarHBondContact OE1-OH 3.28Å; Y475-R477 PolarHBondContact O-N 3.05Å
476F31.2Very low29Very low146 Ų146127.6 Ų127.664%0.6468%0.684SS**  trans-76.491.1176.1-81.1-79.9000111.3N474 I478N474-F476 HydrophobicContact CB-CE2 4.23Å; N474-F476 WeakPolarHBondContact O-CD2 3.47Å; N474-F476 PolarHBondContact O-N 2.9Å; F476-I478 PolarHBondContact O-N 3.07Å; F476-I478 VanDerWaalsContact O-N 3.08Å
477R29Very low29.1Very low161 Ų161127.1 Ų127.161%0.60868%0.68SS**  trans-66.7104.8176.2-166.2-177.2-167.3-165.96.4111.3Y475 Q479 S517Y475-R477 PolarHBondContact O-N 3.05Å; R477-Q479 PolarHBondContact O-N 2.98Å; R477-S517 PolarHBondContact NH2-OG 2.77Å
478I29.3Very low29.4Very low64 Ų64123.1 Ų123.133%0.32866%0.659SS.*  trans-79.1104.8171.4-61.3178.3000108.5F476 I480 L1256 L1260F476-I478 PolarHBondContact O-N 3.07Å; F476-I478 VanDerWaalsContact O-N 3.08Å; I478-I480 PolarHBondContact O-N 3.19Å; I478-I480 VanDerWaalsContact O-N 3.12Å; I478-L1256 HydrophobicContact CG2-CD1 3.96Å; I478-L1260 HydrophobicContact CD1-CD2 3.8Å
479Q29.9Very low29.6Very low157 Ų157123.1 Ų123.173%0.73466%0.656SS**  trans-82.989.6-179.9-171.6164.7-14.200110.9R477R477-Q479 PolarHBondContact O-N 2.98Å
480I31.4Very low30Very low90 Ų90130.3 Ų130.346%0.46267%0.667SS.*PPolyproline II helixtrans-57136.7168.5-54.7-177.4000108.8I478 S482 W518I478-I480 PolarHBondContact O-N 3.19Å; I478-I480 VanDerWaalsContact O-N 3.12Å; I480-S482 PolarHBondContact O-N 3.47Å; I480-W518 HydrophobicContact CD1-CB 3.93Å; I480-W518 HydrophobicContact CD1-CG 4.15Å
481P27.1Very low30.1Very low115 Ų115127.6 Ų127.675%0.74766%0.664SS**PPolyproline II helixtrans-54.4121.5176.9-27.235.6000111.9
482S34.2Very low30.6Very low83 Ų83128.8 Ų128.858%0.5866%0.662SS**PPolyproline II helixtrans-71.6138.2175.6-174.40000110.2I480 R484I480-S482 PolarHBondContact O-N 3.47Å; S482-R484 PolarHBondContact O-N 3.34Å; S482-R484 WeakPolarHBondContact OG-CB 3.41Å; S482-R484 PolarHBondContact OG-N 2.99Å
483T36.8Very low30.8Very low75 Ų75127 Ų12746%0.4667%0.667SS.*  trans-65.8-10.9171.547.90000113.3E502T483-E502 VanDerWaalsContact CB-OE2 3.31Å; T483-E502 WeakPolarHBondContact CB-OE2 3.34Å; T483-E502 WeakPolarHBondContact CG2-OE2 3.46Å; T483-E502 PolarHBondContact OG1-OE2 3.45Å
484R32.9Very low31Very low195 Ų195126.1 Ų126.174%0.73666%0.664SS**SBendtrans-67.8129.9-175.4-151.5173.2-158.9-151.12.5111.6S482 I486S482-R484 PolarHBondContact O-N 3.34Å; S482-R484 WeakPolarHBondContact OG-CB 3.41Å; S482-R484 PolarHBondContact OG-N 2.99Å; R484-I486 PolarHBondContact O-N 3.09Å
485A29.4Very low31.6Very low80 Ų80121.6 Ų121.666%0.66164%0.642SS**SBendtrans-74.434.8-161.600000117.3
486I26.9Very low32.2Very low140 Ų140119.9 Ų119.972%0.71864%0.644SS**SBendtrans-109.3125.9176.3-61.9175.1000108.2R484R484-I486 PolarHBondContact O-N 3.09Å
487S28.9Very low32.6Very low115 Ų115114.6 Ų114.680%0.80463%0.625SS**  trans67.3104.5-163.874.70000114.7
488R30.7Very low33.1Very low134 Ų134110.6 Ų110.651%0.50662%0.615SS.*  trans-142.1124.7160.3-69.9-168.1-174.2-171.84.9108.8T495R488-T495 PolarHBondContact NH1-OG1 3.36Å; R488-T495 PolarHBondContact NH2-OG1 3.45Å
489P31.1Very low34Very low124 Ų124113 Ų11381%0.80562%0.623SS**  trans-64.7150.8165.4-18.532.3000110.8G491P489-G491 PolarHBondContact O-N 2.85Å
490K33.7Very low34.7Very low220 Ų220111 Ų11196%0.95762%0.617SS**THydrogen-bonded Turntrans-66.8114.5167.9-70.7179177.8177.30108.4
491G31.1Very low35.2Very low67 Ų67113.1 Ų113.169%0.69162%0.62SS**THydrogen-bonded Turntrans178.5-52.8177.200000114.9P489P489-G491 PolarHBondContact O-N 2.85Å
492F33.9Very low36.5Very low188 Ų188110.1 Ų110.183%0.82560%0.596SS**  trans-122.9118.5-172.6-73.9-90000112.9
493A33.4Very low37.3Very low108 Ų108110 Ų11089%0.89359%0.586SS**  trans-105.584.817500000109.8
494M34.1Very low38.3Very low83 Ų83112.7 Ų112.741%0.40959%0.594SS.*  trans-152.660.5-171-158.2175.3-158.800111.7E1244 Y1245M494-E1244 HydrophobicContact CE-CB 4.2Å; M494-Y1245 HydrophobicContact CG-CE1 4.25Å
495T40.7Very low39.3Very low44 Ų44109 Ų10927%0.2759%0.588SS.*  trans-136.1-15.2-172.259.50000118.1R488 S497 L498 K499R488-T495 PolarHBondContact NH1-OG1 3.36Å; R488-T495 PolarHBondContact NH2-OG1 3.45Å; T495-S497 PolarHBondContact O-N 3.48Å; T495-L498 PolarHBondContact O-N 3.25Å; T495-K499 PolarHBondContact O-N 3.49Å
496D39.9Very low40.5Very low128 Ų128106.7 Ų106.768%0.68456%0.563SS**Hα-helixtrans-74.3-32.9-166.2-64.71.5000111.8L498 K499 L500D496-L498 VanDerWaalsContact C-N 3.35Å; D496-L498 PolarHBondContact O-N 2.98Å; D496-K499 WeakPolarHBondContact O-CB 3.47Å; D496-K499 PolarHBondContact O-N 2.95Å; D496-L500 PolarHBondContact O-N 3.48Å
497S40Very low41.6Very low36 Ų36103.5 Ų103.525%0.25255%0.552SS.*Hα-helixtrans-66.3-31.7173.1-48.80000113.4T495 K499 L500 Y501 Y1245T495-S497 PolarHBondContact O-N 3.48Å; S497-K499 VanDerWaalsContact C-N 3.31Å; S497-K499 PolarHBondContact O-N 3.22Å; S497-L500 PolarHBondContact O-N 2.9Å; S497-Y501 WeakPolarHBondContact O-CD2 3.28Å; S497-Y501 PolarHBondContact O-N 3.34Å; S497-Y1245 PolarHBondContact OG-OH 3.35Å
498L40.6Very low42.7Very low76 Ų76106.3 Ų106.340%0.39855%0.553SS.*Hα-helixtrans-67.4-33.7175-99169.8000111.9T495 D496 L500 Y501 E502T495-L498 PolarHBondContact O-N 3.25Å; D496-L498 VanDerWaalsContact C-N 3.35Å; D496-L498 PolarHBondContact O-N 2.98Å; L498-L500 VanDerWaalsContact C-N 3.31Å; L498-L500 PolarHBondContact O-N 3.05Å; L498-Y501 PolarHBondContact O-N 3.21Å; L498-E502 PolarHBondContact O-N 2.91Å
499K46.8Very low43.2Very low115 Ų115102.5 Ų102.550%0.555%0.546SS..Hα-helixtrans-65.4-34.3175.3-167.5175.1-177.7-87.20111.9T495 D496 S497 E502 E503T495-K499 PolarHBondContact O-N 3.49Å; D496-K499 WeakPolarHBondContact O-CB 3.47Å; D496-K499 PolarHBondContact O-N 2.95Å; S497-K499 VanDerWaalsContact C-N 3.31Å; S497-K499 PolarHBondContact O-N 3.22Å; K499-E502 PolarHBondContact O-N 3.33Å; K499-E503 VanDerWaalsContact CE-OE1 3.32Å; K499-E503 WeakPolarHBondContact CE-OE1 3.29Å; K499-E503 IonicContact NZ-OE1 3.4Å; K499-E503 PolarHBondContact NZ-OE1 2.84Å; K499-E503 WeakPolarHBondContact O-CB 3.45Å; K499-E503 WeakPolarHBondContact O-CG 3.43Å; K499-E503 PolarHBondContact O-N 2.9Å
500L45.5Very low44Very low114 Ų114102.7 Ų102.760%0.59754%0.536SS*.Hα-helixtrans-64.3-40.1174.5-68.2172000112.2D496 S497 L498 E503 Q504D496-L500 PolarHBondContact O-N 3.48Å; S497-L500 PolarHBondContact O-N 2.9Å; L498-L500 VanDerWaalsContact C-N 3.31Å; L498-L500 PolarHBondContact O-N 3.05Å; L500-E503 PolarHBondContact O-N 3.1Å; L500-Q504 WeakPolarHBondContact O-CB 3.41Å; L500-Q504 WeakPolarHBondContact O-CG 3.31Å; L500-Q504 PolarHBondContact O-N 3.19Å
501Y42.5Very low44.6Very low135 Ų13597.3 Ų97.353%0.52952%0.524SS..Hα-helixtrans-68.9-41173.6-73.7-71000112.4S497 L498 E503 Q504 I505S497-Y501 WeakPolarHBondContact O-CD2 3.28Å; S497-Y501 PolarHBondContact O-N 3.34Å; L498-Y501 PolarHBondContact O-N 3.21Å; Y501-E503 VanDerWaalsContact C-N 3.31Å; Y501-E503 PolarHBondContact O-N 2.78Å; Y501-Q504 PolarHBondContact O-N 2.94Å; Y501-I505 WeakPolarHBondContact O-CB 3.45Å; Y501-I505 WeakPolarHBondContact O-CD1 3.48Å; Y501-I505 VanDerWaalsContact O-CG1 3.27Å; Y501-I505 WeakPolarHBondContact O-CG1 3.42Å; Y501-I505 PolarHBondContact O-N 2.99Å
502E54.6Low45.4Very low53 Ų5399.4 Ų99.425%0.24853%0.528CS..Hα-helixtrans-59.7-42.1173.7-173.4-177.5161.200111.5T483 L498 K499 I505 F506T483-E502 VanDerWaalsContact CB-OE2 3.31Å; T483-E502 WeakPolarHBondContact CB-OE2 3.34Å; T483-E502 WeakPolarHBondContact CG2-OE2 3.46Å; T483-E502 PolarHBondContact OG1-OE2 3.45Å; L498-E502 PolarHBondContact O-N 2.91Å; K499-E502 PolarHBondContact O-N 3.33Å; E502-I505 PolarHBondContact O-N 2.88Å; E502-F506 HydrophobicContact CG-CD2 3.73Å; E502-F506 HydrophobicContact CG-CE2 3.95Å; E502-F506 VanDerWaalsContact O-CD2 3.31Å; E502-F506 WeakPolarHBondContact O-CD2 3.34Å; E502-F506 PolarHBondContact O-N 3.25Å
503E50.2Low46Very low80 Ų8096.9 Ų96.937%0.37452%0.518SS..Hα-helixtrans-74.9-29.9178.1-73.9179.1-167.400113.5K499 L500 Y501 F506 S507K499-E503 VanDerWaalsContact CE-OE1 3.32Å; K499-E503 WeakPolarHBondContact CE-OE1 3.29Å; K499-E503 IonicContact NZ-OE1 3.4Å; K499-E503 PolarHBondContact NZ-OE1 2.84Å; K499-E503 WeakPolarHBondContact O-CB 3.45Å; K499-E503 WeakPolarHBondContact O-CG 3.43Å; K499-E503 PolarHBondContact O-N 2.9Å; L500-E503 PolarHBondContact O-N 3.1Å; Y501-E503 VanDerWaalsContact C-N 3.31Å; Y501-E503 PolarHBondContact O-N 2.78Å; E503-F506 CarbonylContact O-C 3.57Å; E503-S507 VanDerWaalsContact O-CA 3.3Å; E503-S507 WeakPolarHBondContact O-CA 3.4Å; E503-S507 VanDerWaalsContact O-CB 3.26Å; E503-S507 WeakPolarHBondContact O-CB 3.35Å; E503-S507 PolarHBondContact O-N 2.96Å
504Q57.2Low46.6Very low132 Ų13295.6 Ų95.662%0.61749%0.491SS*.Hα-helixtrans-63.5-49167.4-81-175.1-12.300111.5L500 Y501 F506 S507L500-Q504 WeakPolarHBondContact O-CB 3.41Å; L500-Q504 WeakPolarHBondContact O-CG 3.31Å; L500-Q504 PolarHBondContact O-N 3.19Å; Y501-Q504 PolarHBondContact O-N 2.94Å; Q504-F506 PolarHBondContact O-N 2.99Å; Q504-S507 VanDerWaalsContact O-CB 3.32Å; Q504-S507 WeakPolarHBondContact O-CB 3.44Å; Q504-S507 PolarHBondContact O-N 3.35Å; Q504-S507 PolarHBondContact O-OG 3.1Å
505I54.3Low46.9Very low118 Ų11895 Ų9561%0.60549%0.493SS*.Hα-helixtrans-63.1-43-178.8-69.2165.1000111.2Y501 E502Y501-I505 WeakPolarHBondContact O-CB 3.45Å; Y501-I505 WeakPolarHBondContact O-CD1 3.48Å; Y501-I505 VanDerWaalsContact O-CG1 3.27Å; Y501-I505 WeakPolarHBondContact O-CG1 3.42Å; Y501-I505 PolarHBondContact O-N 2.99Å; E502-I505 PolarHBondContact O-N 2.88Å
506F53.8Low46.8Very low31 Ų31101.8 Ų101.814%0.13652%0.521CS..THydrogen-bonded Turntrans-97.721.2179.2-60.2-59.3000114.2E502 E503 Q504 H508 C509 R514 P515E502-F506 HydrophobicContact CG-CD2 3.73Å; E502-F506 HydrophobicContact CG-CE2 3.95Å; E502-F506 VanDerWaalsContact O-CD2 3.31Å; E502-F506 WeakPolarHBondContact O-CD2 3.34Å; E502-F506 PolarHBondContact O-N 3.25Å; E503-F506 CarbonylContact O-C 3.57Å; Q504-F506 PolarHBondContact O-N 2.99Å; F506-H508 PolarHBondContact O-N 3.37Å; F506-H508 VanDerWaalsContact O-N 3.14Å; F506-C509 HydrophobicContact CB-CB 4.43Å; F506-C509 HydrophobicContact CD1-CB 4.38Å; F506-C509 PolarHBondContact O-N 3.41Å; F506-R514 HydrophobicContact CB-CG 4.12Å; F506-R514 VanDerWaalsContact CB-NE 3.29Å; F506-R514 HydrophobicContact CD1-CG 4.26Å; F506-R514 HydrophobicContact CD2-CG 4.31Å; F506-R514 HydrophobicContact CG-CG 3.99Å; F506-R514 PolarHBondContact O-NH2 2.89Å; F506-P515 HydrophobicContact CE1-CG 4.34Å; F506-P515 HydrophobicContact CZ-CG 4.2Å
507S51.8Low46.6Very low72 Ų7297.4 Ų97.450%0.50350%0.501SS..THydrogen-bonded Turntrans-64.6-12.5177.2590000114E503 Q504E503-S507 VanDerWaalsContact O-CA 3.3Å; E503-S507 WeakPolarHBondContact O-CA 3.4Å; E503-S507 VanDerWaalsContact O-CB 3.26Å; E503-S507 WeakPolarHBondContact O-CB 3.35Å; E503-S507 PolarHBondContact O-N 2.96Å; Q504-S507 VanDerWaalsContact O-CB 3.32Å; Q504-S507 WeakPolarHBondContact O-CB 3.44Å; Q504-S507 PolarHBondContact O-N 3.35Å; Q504-S507 PolarHBondContact O-OG 3.1Å
508H50.2Low46Very low174 Ų174103.5 Ų103.581%0.80652%0.518SS*.THydrogen-bonded Turntrans-116.34.2179.7-57.9-21.3000113.5F506F506-H508 PolarHBondContact O-N 3.37Å; F506-H508 VanDerWaalsContact O-N 3.14Å
509C42.2Very low45.7Very low54 Ų54103.5 Ų103.537%0.36552%0.524SS..SBendtrans-109.1133.8179.8-70.30000111.3F506F506-C509 HydrophobicContact CB-CB 4.43Å; F506-C509 HydrophobicContact CD1-CB 4.38Å; F506-C509 PolarHBondContact O-N 3.41Å
510Q47.7Very low44.7Very low129 Ų129104.5 Ų104.560%0.60353%0.534SS*.  trans-62.3149.4172.6-75-67.4-28.400110.9S512 Q513Q510-S512 PolarHBondContact O-N 2.92Å; Q510-S512 VanDerWaalsContact O-N 3.08Å; Q510-Q513 HydrophobicContact CB-CG 4.41Å; Q510-Q513 PolarHBondContact O-N 3.29Å
511P46.1Very low43.7Very low107 Ų107104.8 Ų104.870%0.69554%0.536SS*.G310 helixtrans-57.1-29.1-177.4-27.235.7000114.3Q513P511-Q513 VanDerWaalsContact C-N 3.27Å; P511-Q513 PolarHBondContact O-N 3.5Å
512S48.3Very low43Very low111 Ų111105.8 Ų105.878%0.77654%0.544SS*.G310 helixtrans-74.4-9.7175.451.70000114.8Q510Q510-S512 PolarHBondContact O-N 2.92Å; Q510-S512 VanDerWaalsContact O-N 3.08Å
513Q46.8Very low41.6Very low134 Ų134110.8 Ų110.863%0.62657%0.572SS**G310 helixtrans-110.4-2.8-176.5-66.7-179.1-38.300113.7Q510 P511Q510-Q513 HydrophobicContact CB-CG 4.41Å; Q510-Q513 PolarHBondContact O-N 3.29Å; P511-Q513 VanDerWaalsContact C-N 3.27Å; P511-Q513 PolarHBondContact O-N 3.5Å
514R45.4Very low40.5Very low82 Ų82114 Ų11431%0.30959%0.587SS.*SBendtrans-69.3125.8174.8-67.2-171.6-176.4-169-2.8109.9F506 Q516F506-R514 HydrophobicContact CB-CG 4.12Å; F506-R514 VanDerWaalsContact CB-NE 3.29Å; F506-R514 HydrophobicContact CD1-CG 4.26Å; F506-R514 HydrophobicContact CD2-CG 4.31Å; F506-R514 HydrophobicContact CG-CG 3.99Å; F506-R514 PolarHBondContact O-NH2 2.89Å; R514-Q516 PolarHBondContact O-N 2.84Å
515P40.1Very low39.1Very low71 Ų71113.3 Ų113.346%0.46159%0.594SS.*  trans-67.9126.3-178.827.2-33.7000110.7F506 S517F506-P515 HydrophobicContact CE1-CG 4.34Å; F506-P515 HydrophobicContact CZ-CG 4.2Å; P515-S517 PolarHBondContact O-N 3.43Å
516Q38.5Very low37.8Very low185 Ų185117.9 Ų117.986%0.86460%0.604SS**SBendtrans-72.3-11.5180-63.9-169.58.100113.8R514R514-Q516 PolarHBondContact O-N 2.84Å
517S36.6Very low36.5Very low36 Ų36123.6 Ų123.625%0.25264%0.636SS.*SBendtrans-156.2142.1171.459.50000109.4R477 P515R477-S517 PolarHBondContact NH2-OG 2.77Å; P515-S517 PolarHBondContact O-N 3.43Å
518W27.9Very low35.2Very low164 Ų164127.9 Ų127.962%0.62165%0.648SS**  trans-72.5140.4162.4-63.278.7000109.3I480I480-W518 HydrophobicContact CD1-CB 3.93Å; I480-W518 HydrophobicContact CD1-CG 4.15Å
519C33.2Very low34.2Very low77 Ų77126.3 Ų126.352%0.5265%0.645SS.*  trans-126.4141166-67.30000107.3
520L25.1Very low33.7Very low135 Ų135131.5 Ų131.571%0.70767%0.669SS**  trans-111.6105172.2-71.6170.2000107F522L520-F522 HydrophobicContact CB-CD2 4.46Å; L520-F522 HydrophobicContact CB-CE2 3.97Å; L520-F522 PolarHBondContact O-N 2.76Å
521D26.2Very low33.1Very low121 Ų121130.8 Ų130.865%0.64768%0.676SS**  trans-73.1119168.5-70.3-53.5000108.6
522F26.2Very low32.4Very low155 Ų155131.5 Ų131.568%0.6868%0.678SS**  trans-9698.2167.9-72.4-87000107.4L520L520-F522 HydrophobicContact CB-CD2 4.46Å; L520-F522 HydrophobicContact CB-CE2 3.97Å; L520-F522 PolarHBondContact O-N 2.76Å
523D26.1Very low31.6Very low158 Ų158134 Ų13485%0.84568%0.683SS**PPolyproline II helixtrans-52.1142.5169.2-84.7-48.5000110.3
524Q26.8Very low30.6Very low149 Ų149134 Ų13470%0.69669%0.687SS**PPolyproline II helixtrans-60.7142.7179-66.9-177.7-95.500110.5R526Q524-R526 PolarHBondContact O-N 3.41Å
525P27.4Very low29.9Very low116 Ų116134.5 Ų134.575%0.75370%0.703SS**PPolyproline II helixtrans-55.2125.6163.8-18.630.7000108.6
526R26.5Very low29.4Very low214 Ų214139.3 Ų139.381%0.80872%0.719SS**PPolyproline II helixtrans-77.9120.5162.4-69.1-174.7-178.8-175.50.8107.3Q524 E528Q524-R526 PolarHBondContact O-N 3.41Å; R526-E528 HydrophobicContact CB-CG 4.38Å; R526-E528 PolarHBondContact O-N 2.92Å
527D26.5Very low28.9Very low152 Ų152135.8 Ų135.881%0.81372%0.715SS**  trans-7176.2168.6-70.5-51.8000110N529D527-N529 VanDerWaalsContact C-N 3.29Å; D527-N529 PolarHBondContact O-N 3.5Å
528E25.8Very low28.5Very low162 Ų162139.4 Ų139.476%0.75774%0.74SS**  trans-77.781.5168.3-73.7-166.8-17600110.2R526R526-E528 HydrophobicContact CB-CG 4.38Å; R526-E528 PolarHBondContact O-N 2.92Å
529N28.4Very low28.3Very low140 Ų140137.1 Ų137.175%0.74975%0.749SS**  trans-124.585.5166-88.1-55.8000110.1D527D527-N529 VanDerWaalsContact C-N 3.29Å; D527-N529 PolarHBondContact O-N 3.5Å
530N32.4Very low28.4Very low164 Ų164139 Ų13988%0.87776%0.76SS**  trans-163.8105.6157.7-101.9-28.1000110
531P34.6Very low28.4Very low113 Ų113136.5 Ų136.573%0.73476%0.759SS**  trans-80.6121.217730.8-31.9000112.2
532V31.9Very low28.4Very low122 Ų122135.9 Ų135.974%0.73977%0.765SS**  trans-4.1131.3154.3-178.40000117.7
533D31.2Very low28.3Very low164 Ų164134 Ų13488%0.87777%0.766SS**  -142.9153.7127.4-144.4-18.8000111
534D26.2Very low28.2Very low134 Ų134133 Ų13372%0.71777%0.765SS**  trans-98.7141.6-164.7-96.2-49.3000114.1
535S30.4Very low28.2Very low93 Ų93131.2 Ų131.265%0.6577%0.769SS**  164.4110129.1-77.80000114.3
536H29.5Very low28.4Very low172 Ų172130.6 Ų130.680%0.79677%0.767SS**  160.5126.5109.5-83-55000115.1
537S27.2Very low28.5Very low110 Ų110124.9 Ų124.977%0.76976%0.76SS**  trans79.8138.9147.974.90000122.3
538S28.5Very low28.8Very low112 Ų112126.8 Ų126.878%0.78376%0.762SS**  trans62.788.1158.751.40000121.4
539S24.2Very low29.1Very low116 Ų116124 Ų12481%0.81176%0.76SS**  -81.9177129.2-47.50000109.2
540P35.4Very low29.3Very low117 Ų117122.2 Ų122.276%0.7676%0.759SS**  cis-141.9179.12.444.3-26.5000117.1
541A24.6Very low29.2Very low83 Ų83120.2 Ų120.269%0.68676%0.757SS**  trans69.1109.9138.900000123.5
542S26.2Very low29.1Very low108 Ų108119.8 Ų119.876%0.75576%0.757SS**  96.8150.2109.571.70000124.2
543T23.9Very low29.2Very low115 Ų115118.7 Ų118.771%0.70676%0.755SS**  trans99.699.1146.41.60000121.3
544V25.7Very low29.1Very low137 Ų137115.8 Ų115.883%0.8375%0.747SS**  trans64.4148.4139.5-600000124.3
545S27Very low29.2Very low111 Ų111116.5 Ų116.578%0.77675%0.751SS**  trans-62.6168.2165.2-38.30000112.5
546S30.6Very low29.3Very low103 Ų103116.9 Ų116.972%0.7275%0.749SS**  cis-171.7178.635.860.80000113.6
547S29.1Very low29.2Very low94 Ų94113.9 Ų113.966%0.65775%0.748SS**  trans97.4108.2145.2-60.80000121.9
548F31.3Very low29.4Very low193 Ų193114 Ų11485%0.84674%0.737SS**  trans64.5127.8130.5-76-76.8000124.9
549S33.3Very low29.6Very low102 Ų102115.8 Ų115.871%0.71374%0.736SS**  trans74.8146.1146.9-540000118.2
550S31.6Very low29.9Very low104 Ų104114.3 Ų114.373%0.72772%0.719SS**  cis-154.2147.524.9-38.50000115.3
551S31.5Very low29.8Very low121 Ų121112.9 Ų112.985%0.84671%0.711SS**  trans67.4159.4135-63.70000122.1
552S32.2Very low30.1Very low105 Ų105117 Ų11773%0.73472%0.717SS**  cis167.8148.9-18.6178.90000107.5
553S33.2Very low30.2Very low99 Ų99117.5 Ų117.569%0.69271%0.711SS**  cis-156.6-138.6-1740.40000106.1
554S29.7Very low30.7Very low102 Ų102120.3 Ų120.371%0.71372%0.716SS**  cis-163.4169.20.3-80000110.6
555D27.7Very low31.1Very low150 Ų150119.3 Ų119.380%0.80271%0.71SS**  trans-112.5-168.8-173-53.5-91.9000115.8
556T32.8Very low31.1Very low100 Ų100120.6 Ų120.661%0.61371%0.708SS**  trans107.5149.4140.175.50000121.3
557S27.9Very low31Very low109 Ų109121.2 Ų121.276%0.76270%0.703SS**  -173.4166129.750.50000112.4
558Q31.3Very low31Very low114 Ų114126.4 Ų126.453%0.53371%0.708SS.*  -159.3172.6-70.7-118.2-170.536.300113.2
559L33.1Very low30.8Very low148 Ų148127.9 Ų127.978%0.77571%0.708SS**  trans-101.1-143.4-178.8-109.9171.6000112.4R571L559-R571 PolarHBondContact O-NE 3.48Å; L559-R571 PolarHBondContact O-NH2 3.33Å
560L30Very low30.4Very low86 Ų86127.2 Ų127.245%0.4570%0.695SS.*  trans102.3131.5174-73.469000115.3R571L560-R571 PolarHBondContact O-NH1 3.36Å; L560-R571 PolarHBondContact O-NH2 2.99Å
561S33.4Very low30.3Very low86 Ų86128.3 Ų128.360%0.60168%0.684SS**  cis92.5152.130.689.80000116.5
562Q30.8Very low30.2Very low170 Ų170127.6 Ų127.679%0.79467%0.67SS**  trans-155.1153.9151.8-74.2-153.811.100108
563N28.3Very low30.2Very low118 Ų118128.8 Ų128.863%0.63167%0.667SS**  cis-166.4138.3-23.5-101.8-18000108.4
564H34.1Very low30.4Very low175 Ų175127.9 Ų127.981%0.8166%0.659SS**SBendtrans-175.5141.1140.8-111.4-73.7000110.4
565T33.7Very low30.5Very low116 Ų116132.4 Ų132.471%0.71266%0.662SS**SBendtrans48.976.8170550000114.8
566D27.6Very low30.6Very low137 Ų137136 Ų13673%0.73367%0.665SS**  98.214761-79.716.4000111.3
567L27.7Very low30.3Very low116 Ų116137 Ų13761%0.60767%0.671SS**  cis-169.4133-20.2-101.3177.4000102.9
568R29.9Very low31.5Very low203 Ų203137.1 Ų137.177%0.76667%0.67SS**  cis-147.9-166.718.9-49.6-174.617372.90107
569R26.2Very low31.6Very low225 Ų225137.3 Ų137.385%0.84968%0.681SS**  cis-158.8103.16.2178.2-154.3-67.5-127.21.5110.1
570I26.5Very low31.3Very low88 Ų88136.9 Ų136.945%0.45168%0.684SS.*  trans-143.3142.9148.6-67.5-168.5000107.2
571R28.4Very low31.3Very low127 Ų127140.5 Ų140.548%0.47970%0.698SS.*  trans123.8146.2179.7-79.4-167.9158.5-166.7-6.3111.6L559 L560L559-R571 PolarHBondContact O-NE 3.48Å; L559-R571 PolarHBondContact O-NH2 3.33Å; L560-R571 PolarHBondContact O-NH1 3.36Å; L560-R571 PolarHBondContact O-NH2 2.99Å
572N30.3Very low31.3Very low105 Ų105141.9 Ų141.956%0.56171%0.706SS**  cis-163.8179.512.4-136.73.5000113.7
573I32.3Very low31.1Very low131 Ų131143.8 Ų143.867%0.67271%0.705SS**  trans79.9149.8139.1-88.5165.3000119.1
574P36.4Very low31.2Very low80 Ų80145.1 Ų145.152%0.51971%0.712SS.*  cis-152.8-177.6-15.543.3-24.2000120.3
575Y31.7Very low30.9Very low197 Ų197141.9 Ų141.977%0.77371%0.709SS**  trans69.5138.8153-54-44.2000119.2
576Y29.7Very low30.6Very low225 Ų225142.6 Ų142.688%0.88272%0.719SS**  cis-13117232.7-116.5-94.8000115.4
577T27.4Very low30.7Very low120 Ų120146.8 Ų146.874%0.73673%0.725SS**  trans-140160177.129.70000113.9
578P52.5Low30.5Very low112 Ų112146 Ų14673%0.72773%0.729SS**  trans-103.9-170.2-174.542.8-37.6000113.4
579P33.2Very low30.4Very low118 Ų118147.2 Ų147.277%0.76674%0.735SS**  trans-131.8166.6136.938.9-26.4000111.3
580V28.1Very low30.4Very low140 Ų140144 Ų14485%0.84873%0.729SS**  cis-148165.440.3173.50000111.5
581H28.7Very low30.6Very low161 Ų161147.8 Ų147.875%0.74575%0.745SS**  trans-83.8-173.6-178.9-120-21000113.2
582P33.9Very low30.5Very low116 Ų116149.7 Ų149.775%0.75377%0.765SS**  cis-145.1153.728.640.7-18.8000121.3
583R27.5Very low30.4Very low209 Ų209149.4 Ų149.479%0.78978%0.777SS**  trans31.6114.1141.2-70.8-178.2172.4169.4-2.5123.6
584N29.7Very low30.3Very low146 Ų146148.4 Ų148.478%0.78178%0.779SS**  64.4125.8116.4-72.123000125.1
585S28.4Very low29.8Very low107 Ų107151.1 Ų151.175%0.74879%0.794SS**  trans72.3108.4130.267.40000121.4R587S585-R587 PolarHBondContact O-N 2.93Å
586S27.1Very low29.7Very low131 Ų131147.6 Ų147.692%0.91679%0.793SS**  trans-88.285.8152.958.80000111.8
587R29.6Very low29.9Very low226 Ų226142.5 Ų142.585%0.85379%0.785SS**SBendtrans-122.9122.1138.3-161.6-175.3-154.2-150.36.8105.8S585S585-R587 PolarHBondContact O-N 2.93Å
588S24Very low29.9Very low98 Ų98141.4 Ų141.469%0.68578%0.782SS**SBendtrans48.7103.8178.151.10000116.4
589Y25.9Very low28.7Very low229 Ų229141.6 Ų141.690%0.89879%0.786SS**  trans54.4115.4151.9-68.4-82.3000120.1
590H28.1Very low28.6Very low158 Ų158142.3 Ų142.373%0.73179%0.789SS**SBendtrans1.8120.9149-88.6-112.4000119
591Q30.2Very low28.6Very low167 Ų167138.8 Ų138.878%0.7878%0.781SS**  trans59.483.6130.8-63.6171-36.800117.6A593Q591-A593 PolarHBondContact O-N 2.85Å
592N26Very low28.7Very low168 Ų168140.2 Ų140.290%0.89879%0.785SS**  trans-67.7109.6147.6-78.8-37.9000109.8P594N592-P594 WeakPolarHBondContact O-CD 3.46Å
593A28Very low28.5Very low98 Ų98140.9 Ų140.981%0.8179%0.787SS**  trans-98.2102.9153.500000107.6Q591Q591-A593 PolarHBondContact O-N 2.85Å
594P30.4Very low28.6Very low110 Ų110135.2 Ų135.271%0.71478%0.784SS**  trans-89.7172.7-174.735.9-36000113.2N592N592-P594 WeakPolarHBondContact O-CD 3.46Å
595V26.6Very low28.7Very low138 Ų138133 Ų13384%0.83678%0.781SS**  trans98.2142.8172.2-171.30000114.3
596V28.6Very low28.8Very low123 Ų123137 Ų13775%0.74579%0.788SS**SBendtrans71.770.8-172-160.10000115.4
597T35Very low28.8Very low117 Ų117134.9 Ų134.972%0.71878%0.778SS**  41.4111.8129.556.40000120.2
598S27Very low28.8Very low97 Ų97130 Ų13068%0.67877%0.773SS**  trans41.891.7134.660.30000118.3
599S27.7Very low29.2Very low117 Ų117131.5 Ų131.582%0.81878%0.778SS**  trans0.4121.313756.50000117.3
600T31Very low29.6Very low133 Ų133125.8 Ų125.882%0.81677%0.77SS**  trans-147.6118.9147.78.30000110.2
601G28.3Very low29.8Very low66 Ų66124.3 Ų124.368%0.6877%0.772SS**  trans-159.487.9174.700000108.5
602F29.6Very low29.7Very low190 Ų190121.6 Ų121.683%0.83377%0.771SS**SBendcis-147.8159.45.2-81.5-88.8000110.6
603V29.5Very low29.8Very low130 Ų130116.9 Ų116.979%0.78876%0.762SS**  trans48.4123.2143175.70000117.5
604A30.3Very low29.8Very low90 Ų90117.1 Ų117.174%0.74476%0.764SS**  cis-150.8174.329.600000114.7
605S31.5Very low30.1Very low101 Ų101117.5 Ų117.571%0.70677%0.766SS**  trans-57.3160.8163.3-390000114.9A607S605-A607 PolarHBondContact O-N 2.87Å
606E30.1Very low30.2Very low191 Ų191118.7 Ų118.789%0.89377%0.767SS**  trans29.486.7135-60.9175.2113.300119.4
607A26.8Very low30.1Very low85 Ų85116.4 Ų116.470%0.70277%0.769SS**  -162.3140.9127.300000112S605S605-A607 PolarHBondContact O-N 2.87Å
608T31.1Very low29.9Very low125 Ų125116 Ų11677%0.76777%0.77SS**  trans50.889.6160.552.20000120.2
609T31.8Very low30Very low128 Ų128122.3 Ų122.379%0.78578%0.778SS**  40.2151.1112.362.10000121.8
610P35.2Very low29.9Very low110 Ų110124.4 Ų124.471%0.71478%0.78SS**  -130.7173.5-58.232.2-11.1000111.3
611T31.8Very low29.9Very low127 Ų127122 Ų12278%0.77977%0.773SS**  -178.4150.472.6-56.30000111.6
612S28.5Very low29.8Very low109 Ų109127.1 Ų127.176%0.76278%0.78SS**  trans-63.1167.5176.651.90000116
613G27Very low29.8Very low69 Ų69126.4 Ų126.471%0.71178%0.783SS**  cis111.7103.8-1.100000115.8
614A28.6Very low29.6Very low103 Ų103124.4 Ų124.485%0.85178%0.78SS**  trans54.9150.4156.200000122.3
615P36.1Very low29.8Very low118 Ų118130 Ų13077%0.76679%0.788SS**  trans-136.1164.4147.843.9-31.8000111.2
616L28.1Very low29.7Very low163 Ų163132.8 Ų132.885%0.85379%0.79SS**  cis-140.9158.88-73.7172.7000110.9
617G28Very low30.4Very low76 Ų76128.8 Ų128.878%0.78478%0.781SS**  trans-167.9126.3162.200000110.9
618C29.7Very low30.6Very low108 Ų108132.5 Ų132.573%0.7378%0.783SS**  trans-117.3133-160.1-56.70000114.7
619R29Very low30.6Very low229 Ų229131.8 Ų131.886%0.86478%0.783SS**  162140.9115.5-90.3178.5174-170-1.6113.6
620L26.2Very low30.6Very low162 Ų162131.1 Ų131.185%0.84878%0.784SS**  trans45.5142.6146.7-79.583.2000120.2
621A30Very low30.3Very low82 Ų82134.4 Ų134.468%0.67879%0.79SS**  cis-148.117410.200000113.7
622E26.4Very low30.1Very low174 Ų174138.4 Ų138.481%0.81380%0.796SS**  trans-19.9136.9167.7-62.4161.1100.300119.5
623L29.5Very low29.9Very low174 Ų174139.1 Ų139.191%0.91180%0.8SS**  -166.6155.494.1-103.4167000113
624A26.8Very low29.9Very low88 Ų88147.1 Ų147.173%0.72781%0.808SS**  trans-94.5160.1-160.100000115.9
625K32.9Very low29.8Very low208 Ų208148.6 Ų148.690%0.90480%0.802SS**  trans-157.593.6142.6-111.9172.6-175178.50111.7
626E29.8Very low29.5Very low159 Ų159148.7 Ų148.774%0.74380%0.796SS**  trans-77.7179.4150.8-72.8-164.9159.100109.8
627P44Very low29.7Very low108 Ų108146.5 Ų146.570%0.70179%0.785SS**  -146.9122.8106.534-17000116.7
628H31.2Very low29.9Very low163 Ų163149 Ų14976%0.75578%0.78SS**  trans61.4159.4133.3-49.2-42.4000119.2
629S32.3Very low30.1Very low110 Ų110150.6 Ų150.677%0.76978%0.782SS**  cis-156.6162.82457.10000110.6
630S30.4Very low30Very low113 Ų113146.4 Ų146.479%0.7978%0.777SS**  cis-169.7167.6-9.3440000110.1
631Q28.9Very low30.3Very low180 Ų180145.1 Ų145.184%0.84177%0.771SS**  trans-67.4153-178.1-52.1141.1-58.200114.6
632K28.6Very low30.4Very low210 Ų210146.9 Ų146.991%0.91377%0.769SS**  -169.1159.7111.9-109.4170.9-177.91720114.3
633C24Very low30.5Very low124 Ų124144.4 Ų144.484%0.83876%0.761SS**  trans-90144.9-174.6-41.30000112.7
634R28Very low30.3Very low238 Ų238142.3 Ų142.390%0.89875%0.751SS**  trans-164.5143.3141.3-116.7174.9176.3167.9-1.7112.4
635N25.5Very low30.4Very low134 Ų134145.8 Ų145.872%0.71775%0.749SS**  trans6.3140.7132.8-71.755.3000117.2
636N30Very low30.1Very low120 Ų120141.5 Ų141.564%0.64274%0.737SS**  cis-164.7155.942.7-125.16.5000114.3
637N31.5Very low30.1Very low116 Ų116144.8 Ų144.862%0.6274%0.744SS**  trans68.5124.3138.6-68.25.6000124
638N33.9Very low29.4Very low128 Ų128143.9 Ų143.968%0.68475%0.745SS**  trans78.9127.8136.2-57.96.6000118.9
639N33Very low29.9Very low143 Ų143141.8 Ų141.877%0.76575%0.746SS**  cis-144.3142.2-2.6-103.9-13.8000112.6
640N28Very low29.8Very low141 Ų141143 Ų14375%0.75475%0.748SS**  trans-89.1178.5166.2-73.8-33.8000111.2
641N31.4Very low29.8Very low135 Ų135146.6 Ų146.672%0.72275%0.75SS**  trans94.1139.3153.6-53.1-33.5000116.9
642N31.8Very low29.8Very low118 Ų118142.6 Ų142.663%0.63174%0.742SS**  cis-156.7136.1-17.9-103.8-26.4000107.5
643N28.2Very low29.9Very low123 Ų123138.2 Ų138.266%0.65873%0.733SS**  55113.480.3-76.8-51.7000115.9
644N26.6Very low30Very low129 Ų129139 Ų13969%0.6973%0.728SS**  trans67.4150.8138.3-67.4-47.1000118.4
645K29Very low29.9Very low161 Ų161135.9 Ų135.970%0.772%0.724SS**  cis-164.1161.63.8-123.5165.8-168.3175.80110.5
646N26.4Very low30Very low119 Ų119135.1 Ų135.164%0.63672%0.724SS**  trans58.7125158.8-50-12.5000116.7
647Y30.2Very low29.9Very low227 Ų227137.2 Ų137.289%0.8973%0.733SS**  -171.2159.569.6-96.4-85.7000110.5
648A29.2Very low29.6Very low89 Ų89136.5 Ų136.574%0.73674%0.737SS**  trans-117.5173.8173.400000109.3
649P40.7Very low29.3Very low119 Ų119135.1 Ų135.177%0.77374%0.738SS**  cis-128.6-17317.435.6-11.8000113.7
650V30.1Very low29.1Very low135 Ų135135 Ų13582%0.81874%0.737SS**  -161.8168.270.81670000111.4
651K30.8Very low29.1Very low190 Ų190136.7 Ų136.783%0.82674%0.74SS**  trans-72.3175.2-173.8-50.1171.5-177.7176.30113
652S29.1Very low28.9Very low96 Ų96137.9 Ų137.967%0.67175%0.746SS**  cis-167.3156.322.1-8.10000114.5
653V30.7Very low28.8Very low118 Ų118138.5 Ų138.572%0.71575%0.748SS**  trans68.2113.1142.9175.80000120.2
654D26Very low28.8Very low140 Ų140139.8 Ų139.875%0.74976%0.755SS**  35.5151.8116-31.6-52.1000120.2
655E25.8Very low28.8Very low173 Ų173141.1 Ų141.181%0.80876%0.757SS**  cis-152.4157.132.9-96.7-161.7117.700114.9
656V26.5Very low28.9Very low117 Ų117138.1 Ų138.171%0.70976%0.755SS**  trans44.7118.3136.8-172.80000121.5
657I29.8Very low29Very low165 Ų165139.3 Ų139.385%0.84676%0.76SS**  -169.5153.1112-95.5-178000109.9
658S24.9Very low28.8Very low100 Ų100136.1 Ų136.170%0.69976%0.758SS**  trans-100.5153.9-1781740000113.6
659S28Very low28.9Very low99 Ų99137.1 Ų137.169%0.69276%0.756SS**  trans130.8116.9132.2-50.20000117.2
660N27.2Very low28.4Very low142 Ų142142.3 Ų142.376%0.75976%0.76SS**  trans55.9137138-6518.4000124.9
661E28.7Very low28.3Very low175 Ų175142.4 Ų142.482%0.81876%0.756SS**  trans70.575.7138.6-68.1175.316900121.5
662L27.1Very low28.2Very low160 Ų160137.8 Ų137.884%0.83875%0.748SS**  7.7117.6119.1-116.3167.5000118.4
663I30.4Very low28.3Very low132 Ų132140.7 Ų140.768%0.67775%0.75SS**  166.7128.2116.2-85.9161.5000112.5
664N27.4Very low28.3Very low149 Ų149143.4 Ų143.480%0.79775%0.753SS**  trans168.5120.7141.5-88.4-40.3000107
665H27.3Very low28.4Very low158 Ų158142 Ų14273%0.73175%0.745SS**  55.1132.465.3-83.7-91.2000113.5
666C31.5Very low28.5Very low97 Ų97141.3 Ų141.366%0.65574%0.742SS**  cis-150.7144.523.4-114.70000115.4
667L27.6Very low28.6Very low144 Ų144141.4 Ų141.475%0.75475%0.747SS**  40.8144.3129.8-58.4174.8000123.9
668N26.6Very low28.6Very low160 Ų160136.8 Ų136.886%0.85674%0.74SS**  trans-150.5151143.4-145.1-22000111
669T30.2Very low28.7Very low110 Ų110138.4 Ų138.468%0.67575%0.745SS**  trans-150.5151.8-16854.90000115.3
670R30.2Very low28.7Very low228 Ų228140.3 Ų140.386%0.8675%0.747SS**  trans169.3157.7161.8-98.4153.6-179.7-171.70.4109.4
671N29.3Very low28.6Very low138 Ų138143.7 Ų143.774%0.73875%0.75SS**  cis-169.6147.7-27.2-109.115.7000106.1
672S28.5Very low28.4Very low93 Ų93139.4 Ų139.465%0.6574%0.739SS**  160.9166.480.448.30000111.9
673H31.3Very low28.5Very low157 Ų157139.5 Ų139.573%0.72774%0.741SS**  trans65.3122.2169.9-61.9-79.2000118.2
674F29.3Very low28.3Very low175 Ų175137.4 Ų137.477%0.76874%0.744SS**  79.1135.854.5-75.1-59.7000112.8
675N28.1Very low28.1Very low109 Ų109138.9 Ų138.958%0.58375%0.745SS**  cis-161.4166.211.6-142.6-16.4000116.3
676H28.9Very low27.9Very low160 Ų160135.6 Ų135.674%0.74174%0.741SS**  trans76.2150.7147.7-73.3-41.4000125.9
677S28.5Very low27.5Very low119 Ų119139 Ų13983%0.83275%0.747SS**  trans62.6132.6172.562.40000119.3
678G30.2Very low27.3Very low67 Ų67137.1 Ų137.169%0.69175%0.745SS**  cis-115.9159.9-6.400000113.1
679V26.2Very low27.3Very low134 Ų134136.4 Ų136.481%0.81274%0.74SS**  cis76.6121.645.7172.80000111
680I28.3Very low27.2Very low140 Ų140138.8 Ų138.872%0.71874%0.744SS**  cis-152.2168-1.9-128.1174.8000112.7
681Y24.6Very low27.2Very low212 Ų212133.3 Ų133.383%0.83174%0.736SS**  trans-38.2174.4157-82.1-111.9000115.2
682S25.5Very low27.1Very low85 Ų85133.6 Ų133.659%0.59474%0.737SS**  -174.8169.357.1-58.60000112.2
683N27.7Very low27Very low162 Ų162133.5 Ų133.587%0.86674%0.737SS**  trans69.1138.5164.2-53.3-11.9000115.8
684A28Very low27Very low89 Ų89131.5 Ų131.574%0.73674%0.74SS**  cis-150.8152.1-1700000105.6
685Q23Very low27Very low179 Ų179133.6 Ų133.684%0.83674%0.744SS**  cis68.2126.836.1-149.7178.82.600115
686S22.5Very low26.8Very low90 Ų90135.3 Ų135.363%0.62975%0.754SS**  trans76.3152.3164.9-610000120.2
687E23.5Very low26.6Very low169 Ų169132.9 Ų132.979%0.7975%0.75SS**  trans55.990.5158.1-73.2145.4-120.200118
688S23.6Very low26.5Very low103 Ų103133.9 Ų133.972%0.7275%0.751SS**  80.5124.763.779.20000114.4
689I26.8Very low26.5Very low146 Ų146141.7 Ų141.775%0.74976%0.76SS**  trans-165.5125.8133.8-104.7158.6000109.2
690Q28.3Very low26.8Very low160 Ų160140.4 Ų140.475%0.74875%0.754SS**  trans57.1113.7151.3-65.3172.3-6.800121.5
691T28.5Very low26.8Very low112 Ų112141.1 Ų141.169%0.68776%0.758SS**  75143124.464.70000120.2
692N28.7Very low26.8Very low145 Ų145138.2 Ų138.278%0.77576%0.757SS**  cis-149.7156.5-9.2-115.1-7.4000113.7
693S25.4Very low26.9Very low91 Ų91142.5 Ų142.564%0.63677%0.772SS**  trans-28.6151.1166.454.40000118.9
694S32Very low26.9Very low115 Ų115139.6 Ų139.680%0.80477%0.765SS**  trans-48148152.1-43.50000112.2
695Y28.2Very low27.2Very low218 Ų218140.7 Ų140.786%0.85576%0.764SS**  trans-139.4151.1145.1-114.4-82.1000110.6
696D23.6Very low27.3Very low145 Ų145135.8 Ų135.878%0.77575%0.754SS**  trans-90.6-166.5-176.9-154.2-32000110.4
697T24.7Very low27.5Very low109 Ų109138.5 Ų138.567%0.66976%0.762SS**  trans82.1117.6156.143.80000120.7
698V27.8Very low27.8Very low141 Ų141138.3 Ų138.386%0.85577%0.765SS**  trans100133.8135.41700000119.1
699R30.4Very low27.8Very low230 Ų230145.2 Ų145.287%0.86878%0.775SS**  trans-92.3-156.7178.6-47.7178.7175.3-175.2-2108.6
700P32.6Very low28Very low107 Ų107143.1 Ų143.170%0.69577%0.774SS**  cis-136.8-177.6-12.228.1-3.5000114.5
701I28.1Very low28Very low156 Ų156142.5 Ų142.580%0.878%0.776SS**  161.4145.3120.6-82.8164.6000110.1
702N24.2Very low28Very low150 Ų150147 Ų14780%0.80279%0.786SS**  trans-80.9157.1-179.9-57.5-62.6000112.4
703L28.1Very low27.9Very low175 Ų175147.6 Ų147.692%0.91679%0.789SS**  trans-159.2147.9133.6-103.4152.6000109.6
704S27Very low28.2Very low102 Ų102149.8 Ų149.871%0.71380%0.798SS**  trans-114.4179.517376.70000108.4
705P33.7Very low28.1Very low111 Ų111149.9 Ų149.972%0.72180%0.798SS**  -154.1-178.751.443.9-22.2000118.6
706A26.5Very low28.1Very low77 Ų77150.6 Ų150.664%0.63680%0.8SS**  trans75.1148.1140.900000123.7
707N25.9Very low28.5Very low147 Ų147149.7 Ų149.779%0.78680%0.801SS**  trans60.2102.8147.8-63.9-7.3000118.3
708L29.1Very low28.6Very low164 Ų164150 Ų15086%0.85981%0.808SS**  -167.5144.351.4-92.7154.5000111.5
709R24.5Very low28.6Very low248 Ų248151 Ų15194%0.93681%0.808SS**  trans-123.8128.8160.4-97.6-175171.2179.8-1.8108.4
710S31.3Very low28.8Very low103 Ų103145.8 Ų145.872%0.7280%0.804SS**  trans-125.8100.8176.457.70000111.5
711N27.2Very low28.4Very low147 Ų147147.7 Ų147.779%0.78681%0.808SS**  trans35.694.3142.8-55.6-12000118.1
712F28.7Very low28.5Very low205 Ų205148.3 Ų148.390%0.89981%0.807SS**  trans-116.3107.4141.6-100.6-85000108.7
713L27.5Very low28.8Very low158 Ų158146.9 Ų146.983%0.82780%0.804SS**  trans-113.5110.7170.2-75.5174.6000108.9
714V30.9Very low28.6Very low137 Ų137143.8 Ų143.883%0.8380%0.797SS**  trans-123.1117156.6177.60000106.1R716V714-R716 PolarHBondContact O-N 3.46Å
715S29.9Very low28.9Very low117 Ų117145.3 Ų145.382%0.81880%0.802SS**PPolyproline II helixtrans-68.9126.6-163-49.40000113.1
716R28.5Very low28.7Very low234 Ų234146 Ų14688%0.88380%0.8SS**PPolyproline II helixtrans-82.4151.6153.6-83.2-174.4170-169.6-2.3109.6V714V714-R716 PolarHBondContact O-N 3.46Å
717P31.5Very low28.9Very low125 Ų125148.9 Ų148.981%0.81280%0.804SS**PPolyproline II helixtrans-67.3140.4176.928.2-34.3000111.7
718S26.6Very low29.1Very low116 Ų116148 Ų14881%0.81180%0.799SS**  trans-43.5122.3179.5500000116.6
719L29.4Very low29.3Very low161 Ų161147.9 Ų147.984%0.84379%0.794SS**  trans-136135.4144.1-88.6170.5000107.3
720P33.2Very low29.7Very low122 Ų122143.5 Ų143.579%0.79279%0.788SS**  trans-82.3139.1-172.331.6-34.4000113.4
721L25.4Very low29.4Very low147 Ų147143.6 Ų143.677%0.7779%0.788SS**  trans-86.4163.6144.8-67.784.3000106.5
722E28.8Very low29.6Very low168 Ų168145 Ų14579%0.78579%0.79SS**  cis-143.1131.436.9-92.5-174.7176.900111.2
723T30.9Very low29.7Very low121 Ų121140.9 Ų140.974%0.74278%0.781SS**  54.5125.2103.661.70000117.1
724S25.2Very low29.9Very low110 Ų110139.9 Ų139.977%0.76977%0.772SS**  trans-72142.9-175.451.60000115.9
725V33.2Very low29.8Very low134 Ų134142.3 Ų142.381%0.81277%0.768SS**  trans-139.8124.5139.6179.70000108.4
726N29.6Very low30.4Very low126 Ų126141.1 Ų141.167%0.67476%0.757SS**  trans11.8146.8138.2-68.848.9000119.7
727D30.4Very low30.3Very low137 Ų137140.2 Ų140.273%0.73375%0.754SS**  cis-155.1160.519.2-102.6-32.3000114
728D30Very low30.3Very low127 Ų127141 Ų14168%0.67975%0.746SS**  trans69.9143.2145.8-107.32.8000127.2
729Q33.2Very low30.7Very low163 Ų163142.8 Ų142.876%0.76274%0.741SS**  trans62.2129.2153-63.5167.252.400118.3
730I31.7Very low30.8Very low155 Ų155139.2 Ų139.280%0.79573%0.73SS**  cis-142.3149.338.6-72.7172000112.1
731S25.4Very low30.7Very low105 Ų105138 Ų13873%0.73472%0.723SS**  trans-137116.7170.161.40000113.2
732H31.4Very low31Very low178 Ų178139.2 Ų139.282%0.82473%0.725SS**  trans-170.8141.3173.3-90.5-54.5000107.7
733V31.9Very low31.2Very low117 Ų117139 Ų13971%0.70972%0.724SS**  cis-143.1128.42.1-166.10000105.6
734H30Very low31.1Very low137 Ų137138.2 Ų138.263%0.63472%0.715SS**  44.3147.288.8-80.7-48.2000115.9
735Y29.6Very low31.4Very low189 Ų189142.5 Ų142.574%0.74172%0.716SS**  cis-168.5-168.69.5-114.8-39.5000107.4
736P41.7Very low31.3Very low91 Ų91141 Ų14159%0.59171%0.711SS**  cis-136.9172.8-4239.7-23.6000115.6
737R28.1Very low31.3Very low216 Ų216144 Ų14482%0.81572%0.722SS**  trans66.9147.9149.2-80166.1178.1162.61.2118.8
738H31.7Very low31.9Very low142 Ų142142.1 Ų142.166%0.65772%0.717SS**  cis-146.5-174.77.4-114.9-64.2000108.2
739H33Very low31.8Very low152 Ų152142.5 Ų142.570%0.70472%0.724SS**  cis-149.8-157.69.1-141.5-77.8000111.4
740S32.5Very low31.6Very low87 Ų87139.7 Ų139.761%0.60872%0.722SS**  trans-43.6159.6169.4-62.50000118.1
741C32Very low31.5Very low96 Ų96140 Ų14065%0.64972%0.72SS**  cis-167.9-161-9.2-99.50000107.9
742E31Very low31.6Very low172 Ų172143.6 Ų143.680%0.80472%0.719SS**  cis-154.8-143.210.4-150.1100.8-106.600111.5
743E31.8Very low31.4Very low163 Ų163145.3 Ų145.376%0.76272%0.718SS**  trans-109.2-177.6-173.8-47.1178.8152.500112.9
744N29.8Very low31.3Very low105 Ų105148.3 Ų148.356%0.56172%0.722SS**  cis-165.516314.5-139.7-30.1000114.9
745Y31.1Very low31.2Very low200 Ų200148.8 Ų148.878%0.78473%0.728SS**  trans63.1128.1157.3-74.8-65.6000128
746S30.9Very low31.1Very low103 Ų103144 Ų14472%0.7272%0.723SS**  trans79.792.6131.7-62.80000126.4
747Q31Very low30.5Very low190 Ų190147.2 Ų147.289%0.88873%0.734SS**  43.7164.4109.5-103.4-166.57.500124.5
748P42.3Very low30.6Very low97 Ų97143.4 Ų143.463%0.6373%0.728SS**  -132.5-157-10945.4-26.8000117.2
749T28.4Very low30.5Very low135 Ų135144.2 Ų144.283%0.82874%0.738SS**  trans83.8152.6177.573.80000116.5
750S28.8Very low30.3Very low104 Ų104140.1 Ų140.173%0.72774%0.736SS**  cis-168.9161.9-26.351.40000112.1
751E29.7Very low30.2Very low162 Ų162142 Ų14276%0.75775%0.749SS**  trans81.4131.1158.2-59.8-141.2135.500124.8
752Y27Very low30.1Very low180 Ų180142.6 Ų142.671%0.70675%0.754SS**  trans56.2131.5139-75.8-54.1000128.5
753R27.6Very low30.1Very low214 Ų214141 Ų14181%0.80875%0.747SS**  trans83.9103.3132.9-77.4-179-173.8-163.24.5123.9
754K29.4Very low30.1Very low179 Ų179141.2 Ų141.278%0.77875%0.746SS**  77.5135.1107.6-134.6-168.1-176.6-175.70121.7
755L27.3Very low30.1Very low147 Ų147143.8 Ų143.877%0.7776%0.758SS**  trans74.9149.3162.8-50.3179.5000117.4
756S28.8Very low30.3Very low90 Ų90137.2 Ų137.263%0.62975%0.751SS**  cis-171.8145.2-25.653.90000113.4
757L28.3Very low30.4Very low158 Ų158139.2 Ų139.283%0.82775%0.753SS**  trans74.7139.1147.2-80.2162.1000123.3
758I31Very low30.5Very low135 Ų135136.6 Ų136.669%0.69275%0.746SS**  trans91.3117.7147.4-69.2157.9000121.4
759N29.6Very low30.1Very low160 Ų160138.7 Ų138.786%0.85675%0.752SS**  trans45.7150.1149.9-57.4-4.7000122.2
760G28.9Very low30.4Very low66 Ų66137.1 Ų137.168%0.6875%0.746SS**  cis159.7170-5.600000113.5
761S30.2Very low30.5Very low126 Ų126138.8 Ų138.888%0.88175%0.747SS**  trans72115.2167.4-58.70000118.7
762S28.6Very low30.6Very low108 Ų108137.3 Ų137.376%0.75574%0.744SS**  99.5158.593.9-148.90000111.7
763Q32.6Very low30.8Very low139 Ų139136.1 Ų136.165%0.6575%0.75SS**  cis-171.2164.630.7-155.6166.114.600112.7
764F30.2Very low30.9Very low167 Ų167130 Ų13073%0.73275%0.745SS**  trans66.3147.2164.7-56.4-56000118.6
765I31.5Very low31Very low160 Ų160129 Ų12982%0.82174%0.743SS**  cis-157.5169.6-2.2-126.8165000108
766G34.8Very low31.1Very low61 Ų61128.3 Ų128.363%0.62974%0.736SS**  cis171.2168.7-1.300000114
767D32.6Very low31.1Very low145 Ų145131.2 Ų131.278%0.77574%0.739SS**  trans57.3126.7153.3-62.35.8000127
768N33.7Very low31.2Very low136 Ų136133.4 Ų133.473%0.72774%0.742SS**  trans97.698.5144.1-68.5-39000124.2
769N33.1Very low30.9Very low141 Ų141132 Ų13275%0.75475%0.745SS**  trans70.196.1132-68.2-22.5000123.9
770S33.9Very low31Very low102 Ų102130 Ų13071%0.71374%0.741SS**  85.6123.2115.7-59.20000123.2
771N32.1Very low31.1Very low139 Ų139132.6 Ų132.674%0.74375%0.748SS**  trans85.397.1149.4-66.6-9.9000121.7
772N32.3Very low30.9Very low131 Ų131137.1 Ų137.170%0.70175%0.746SS**  87.5108.1127.8-58.2-19.4000121.3
773N29.3Very low31Very low155 Ų155140.3 Ų140.383%0.82975%0.754SS**  trans65.8100.8137.8-56.1-11.7000120.2
774A31.1Very low30.8Very low85 Ų85139 Ų13970%0.70276%0.756SS**  175.8151.3101.300000112.4
775Q31.6Very low30.9Very low158 Ų158137.4 Ų137.474%0.73876%0.762SS**  trans59.6158.6162.5-109.187.3-5.100118.4
776E29.7Very low30.7Very low132 Ų132134.9 Ų134.962%0.61776%0.758SS**  cis-155.7156.5-18.6-147.4153.6-127.200110.3
777H28.6Very low30.6Very low152 Ų152137.9 Ų137.970%0.70477%0.767SS**  trans61.3154.4176.4-55.8-71.6000116.3
778F29.9Very low30.4Very low203 Ų203138 Ų13889%0.8977%0.766SS**  cis-127.8165.217.6-85.7-103.3000113.9
779S24.6Very low30.1Very low107 Ų107139 Ų13975%0.74877%0.769SS**  trans-85.4166173.8-40.40000112.4
780P32.5Very low29.9Very low118 Ų118141 Ų14177%0.76677%0.772SS**  -148.5-177.178.140.4-22.4000116.2
781S30.9Very low29.5Very low120 Ų120140.6 Ų140.684%0.83977%0.769SS**  trans102.586.5164.8-46.30000117.5
782R25.8Very low29.5Very low220 Ų220139.7 Ų139.783%0.8377%0.77SS**  trans-152.5102.7161.3-162.4-179.9-158-95.33.8111.7
783L29.6Very low29.3Very low176 Ų176139 Ų13992%0.92177%0.771SS**  trans-139.190.4168.8-78.7-179.6000110.8
784T29.3Very low29.4Very low112 Ų112137 Ų13769%0.68777%0.769SS**  trans-140.2118.7160.243.20000108
785P32.2Very low29.2Very low132 Ų132139.7 Ų139.786%0.85777%0.771SS**  trans-84.2128.217831.8-31.6000110.8
786S27.3Very low29.1Very low107 Ų107142.9 Ų142.975%0.74878%0.777SS**  trans-112.8141.6162-65.10000108.4
787P32.7Very low29Very low124 Ų124140.1 Ų140.181%0.80577%0.772SS**PPolyproline II helixtrans-69.5152.6-17328-35000113I789P787-I789 PolarHBondContact O-N 3.41Å
788I27.7Very low29Very low147 Ų147138.5 Ų138.575%0.75477%0.769SS**PPolyproline II helixtrans-65.6124.3-177.8-64158.2000110.3F790I788-F790 HydrophobicContact CG2-CD2 4.23Å; I788-F790 HydrophobicContact CG2-CE2 4.37Å
789I28.7Very low29Very low157 Ų157135 Ų13581%0.80576%0.759SS**PPolyproline II helixtrans-94.3128.8154.1-66.6178.1000106.7P787 S791P787-I789 PolarHBondContact O-N 3.41Å; I789-S791 PolarHBondContact O-N 3.16Å
790F27.9Very low29.2Very low184 Ų184136.6 Ų136.681%0.80776%0.759SS**PPolyproline II helixtrans-72.7125.9177.1-85.8-95.7000111.3I788I788-F790 HydrophobicContact CG2-CD2 4.23Å; I788-F790 HydrophobicContact CG2-CE2 4.37Å
791S25.7Very low28.9Very low93 Ų93135.9 Ų135.965%0.6576%0.757SS**PPolyproline II helixtrans-92.8135.4153.3-53.90000108.8I789I789-S791 PolarHBondContact O-N 3.16Å
792P32.2Very low28.9Very low120 Ų120136.7 Ų136.778%0.77976%0.757SS**PPolyproline II helix-74.8117.8128.231.2-24.6000106.4
793V28.3Very low28.8Very low116 Ų116130.9 Ų130.970%0.70376%0.756SS**  51.580.156.9-169.20000109.7
794S30.3Very low28.8Very low113 Ų113129.7 Ų129.779%0.7975%0.749SS**  trans-61152.7148.1-42.50000108.9
795D28.1Very low28.9Very low142 Ų142129.3 Ų129.376%0.75975%0.749SS**  trans-157.1169.4145.3-117.9-32.1000112.1
796R29.6Very low28.7Very low225 Ų225129.1 Ų129.185%0.84975%0.747SS**  trans72107.3-175.3-70.6-175.6171.7156.31.9115.1
797S26.7Very low28.9Very low75 Ų75129.5 Ų129.552%0.52475%0.75SS.*  cis62140.413.3103.30000112.8
798D30.1Very low28.7Very low118 Ų118132 Ų13263%0.63176%0.756SS**  cis-142.6129.611.5-79.3-67.4000107.9
799N29.1Very low28.7Very low128 Ų128132.8 Ų132.868%0.68476%0.761SS**  95.515590.7-68.4-19.7000115.1
800N29.4Very low28.7Very low141 Ų141132.8 Ų132.875%0.75476%0.757SS**  trans72.494157.1-61.9-15.6000119.7
801S26.5Very low28.8Very low103 Ų103129.2 Ų129.272%0.7275%0.747SS**  76.4104.2120.4-55.40000119.3
802T29Very low29Very low137 Ų137132.8 Ų132.884%0.8475%0.753SS**  -162.6158.893160000111.8
803A24.1Very low28.9Very low98 Ų98134.7 Ų134.781%0.8175%0.751SS**  trans-98.3133.5171.400000110.1
804I29.7Very low29Very low152 Ų152135.5 Ų135.578%0.77975%0.752SS**  trans-147.8129.5172.1-43.8177.2000107.9
805P31.8Very low29.1Very low104 Ų104136.8 Ų136.868%0.67575%0.748SS**  cis-129.8159.8-32.538.1-23.7000112.6
806P28.8Very low29.2Very low127 Ų127137.5 Ų137.583%0.82575%0.75SS**  trans-80.1122.1156.431.9-28.9000109.6
807S30.1Very low29.2Very low116 Ų116130.9 Ų130.981%0.81174%0.744SS**  trans-76.8135.9175.455.50000111.9
808L29.9Very low29.1Very low176 Ų176132.8 Ų132.892%0.92176%0.757SS**  trans-10.5128.1171.2-77.1156.8000118
809L27.1Very low29.6Very low164 Ų164132.2 Ų132.286%0.85976%0.76SS**  trans-79.7116.9165.2-176.680.1000109.6
810E29.1Very low29.4Very low156 Ų156133.2 Ų133.273%0.72976%0.764SS**  178.5143.7125.4-101-166.817100114.6
811N29.2Very low29.4Very low110 Ų110133.8 Ų133.859%0.58877%0.765SS**  trans58.8108.8143.6-63-33.6000122.6
812H29.6Very low30Very low168 Ų168134 Ų13478%0.77876%0.764SS**  trans89.3133.2135.2-69.2-46.7000122.8
813Q31.3Very low30.5Very low160 Ų160132.6 Ų132.675%0.74876%0.757SS**  trans75.297.6149.8-70.717812.800120.4
814N29.7Very low30.6Very low133 Ų133132.7 Ų132.771%0.71175%0.752SS**  107.2134.1110.3-75.3-9.8000121.3
815I31.5Very low30.4Very low139 Ų139131.3 Ų131.371%0.71375%0.751SS**  trans93.3101.4139.9-76.1164.8000119.8
816I31.7Very low30.2Very low157 Ų157132.2 Ų132.281%0.80576%0.755SS**  63.5136.5128.2-61.6178.2000119.1
817A29.7Very low30.3Very low87 Ų87132 Ų13272%0.71975%0.752SS**  cis-167.1176.1-19.100000109.9
818S24Very low30.3Very low114 Ų114131.5 Ų131.580%0.79775%0.748SS**  trans-99.5-152.1178.8-52.70000111.5
819P39.8Very low30.4Very low107 Ų107127.3 Ų127.370%0.69573%0.733SS**  -136-158.8-100.941.8-21.9000114.8
820I26.3Very low30.7Very low148 Ų148126.5 Ų126.576%0.75973%0.73SS**  trans92.7128.5141.5-93.3174.3000121.2
821I28.9Very low30.9Very low153 Ų153125.7 Ų125.779%0.78573%0.73SS**  trans84.7147.5151.5-82.4171.4000121.7
822P37.7Very low31.2Very low107 Ų107124 Ų12470%0.69573%0.728SS**  trans-119.2-151.4-16743-22.9000111
823P40.9Very low31.3Very low108 Ų108122.8 Ų122.870%0.70173%0.726SS**  cis-140.4-174.8-3.641.8-21.4000118
824S26.1Very low31.6Very low100 Ų100122 Ų12270%0.69973%0.732SS**  trans96.5133.6147.4-62.60000122.1
825T26.2Very low31.8Very low123 Ų123122.6 Ų122.676%0.75574%0.736SS**  trans72.7115.5147.4420000123.2
826T26.8Very low32.3Very low123 Ų123120.4 Ų120.476%0.75573%0.73SS**  trans84.4150.5134.550.10000123.4
827T30.2Very low32.3Very low124 Ų124120 Ų12076%0.76173%0.728SS**  trans72.8112.2162.243.10000121.7
828S29.7Very low32.5Very low104 Ų104123 Ų12373%0.72773%0.727SS**  26.1149.1123.554.50000121.7
829S32.4Very low32.8Very low89 Ų89127.1 Ų127.162%0.62273%0.725SS**  cis176.6160.2-4.149.90000111
830N34.8Very low32.3Very low147 Ų147126.3 Ų126.379%0.78672%0.722SS**  trans67.9159.9164.4-52.7-8.9000114.5
831N32.6Very low32.5Very low138 Ų138126.8 Ų126.874%0.73873%0.726SS**  cis-165.3178.2-8.4-117.446.2000106.1
832S35.1Very low32.6Very low76 Ų76123 Ų12353%0.53173%0.725SS.*  cis-174.5-178.4-23.854.10000106.9
833D32Very low32.1Very low141 Ų141126 Ų12675%0.75473%0.73SS**  cis-119.6-114.63.3-68.1-89.9000111.6
834V36.8Very low31.6Very low144 Ų144127.6 Ų127.687%0.87373%0.728SS**  cis-143.6166.56.3177.80000108.3
835D33.6Very low31.8Very low146 Ų146130.2 Ų130.278%0.78173%0.729SS**  trans-117.3-155.1-147.5-152.220000116.2
836P43Very low31.8Very low92 Ų92131.6 Ų131.660%0.59773%0.732SS**  -127.9-164.6-121.543-23.3000115.9
837I31.9Very low31.9Very low148 Ų148131 Ų13176%0.75973%0.733SS**  trans160.7140138.6-85.1157.4000115.7
838H34.7Very low31.8Very low150 Ų150136.8 Ų136.869%0.69474%0.741SS**  trans62.6167.2161.5-91.6-152.3000120.3
839R30Very low31.7Very low202 Ų202136.9 Ų136.976%0.76274%0.741SS**  cis-170.7156.1-43.5-118.1-166.1-168.5170.44.9109.8
840S29.8Very low31.6Very low89 Ų89138.7 Ų138.762%0.62275%0.749SS**  trans64.3122.5149.7-83.90000123.5
841D30.4Very low31.2Very low158 Ų158136.6 Ų136.685%0.84575%0.745SS**  63.9146.8128.4-52.3-52.3000123.7
842G29.4Very low31.3Very low75 Ų75135.5 Ų135.577%0.77375%0.746SS**  trans122.150.4133.400000123.9
843Q27.7Very low31Very low170 Ų170140.1 Ų140.179%0.79476%0.763SS**  trans53.2141149.4-78.9-155.515.500124.7
844Q29.9Very low30.6Very low141 Ų141138.8 Ų138.866%0.65976%0.763SS**  trans85.5119.4143.1-78.8-168.767.900124.3
845Q31.1Very low30Very low154 Ų154137.2 Ų137.272%0.7276%0.759SS**  trans68.197.8139.5-57.4-160.658.200123
846N26.8Very low29.6Very low152 Ų152135.1 Ų135.181%0.81376%0.755SS**  46.5116129.1-65.8-21000122
847S28.9Very low28.9Very low111 Ų111139 Ų13978%0.77677%0.77SS**  -176.7130100.456.20000115.3
848R28Very low28.8Very low245 Ų245139.7 Ų139.793%0.92578%0.775SS**  trans47134.9151-58.5-179.7176.6-179.8-1.4118.9
849S27.3Very low28.5Very low106 Ų106140.6 Ų140.674%0.74178%0.784SS**  -174.8160.351.651.90000114.8
850V29.9Very low28.6Very low128 Ų128136.1 Ų136.178%0.77678%0.78SS**  trans59.195.8156.11760000116.8
851S25.7Very low28.5Very low103 Ų103137.2 Ų137.272%0.7279%0.785SS**  79.5158.767.283.50000115.8
852P35.9Very low28.5Very low115 Ų115135.8 Ų135.875%0.74779%0.785SS**  cis-131.9175.3-21.540.5-25.6000114
853I29.1Very low28.6Very low173 Ų173138.3 Ų138.389%0.88779%0.785SS**  trans-164.9150.8153-106.5153.1000110.7
854C22.7Very low28.7Very low113 Ų113135.7 Ų135.776%0.76478%0.783SS**  trans-93.5149.2-179.1-56.30000113.1
855S24.8Very low28.5Very low111 Ų111140.6 Ų140.678%0.77680%0.795SS**  175.4149.2118.4-780000115
856S25.4Very low28.2Very low102 Ų102141.3 Ų141.371%0.71380%0.804SS**  trans43.3109.2148.261.60000121.4
857L28.5Very low28.1Very low172 Ų172141.4 Ų141.490%0.90180%0.804SS**  trans-136.3127.8132.2-80.8-178000109.8
858L28.6Very low27.9Very low164 Ų164141.9 Ų141.986%0.85980%0.798SS**PPolyproline II helixtrans-85.7138.4163.5-89.570.1000108.5
859L28.6Very low28Very low169 Ų169137.9 Ų137.989%0.88579%0.794SS**PPolyproline II helixtrans-89.1129167.2-77.8156.2000109.4
860P31Very low27.9Very low107 Ų107137.3 Ų137.370%0.69579%0.786SS**PPolyproline II helixtrans-74155.7172.231.7-34.4000111.2
861P29Very low27.8Very low112 Ų112137.6 Ų137.673%0.72779%0.788SS**PPolyproline II helixtrans-70.1148.6174.630.4-34.8000111.6
862P30.1Very low27.9Very low129 Ų129138.5 Ų138.584%0.83880%0.795SS**PPolyproline II helixtrans-73.4139.1-176.329.7-35.2000112.6
863V30.9Very low27.4Very low127 Ų127141.9 Ų141.977%0.7780%0.8SS**PPolyproline II helixtrans-97.1133170-176.90000108.3
864P30.1Very low27.5Very low116 Ų116140.1 Ų140.175%0.75380%0.798SS**PPolyproline II helixtrans-70.4151.9179.928.8-34.8000112.6
865W25.5Very low27.7Very low243 Ų243140.9 Ų140.992%0.9279%0.794SS**PPolyproline II helixtrans-69.9151.8-165.8-49-69.9000115.5
866N25.1Very low27.8Very low169 Ų169143 Ų14390%0.90479%0.792SS**  trans-170.896.7141-98.7-17.8000111.2
867L25.5Very low28Very low155 Ų155144.3 Ų144.381%0.81280%0.795SS**  trans-158.3146.5166.2-88.6160.7000103.8
868D25Very low27.7Very low120 Ų120142.6 Ų142.664%0.64279%0.792SS**  cis-145.3160.919.2-112.8-59.2000111.8
869L28.4Very low27.6Very low162 Ų162140.1 Ų140.185%0.84879%0.786SS**  trans-16161.4147.2-113.5173.1000112
870T26.2Very low27.4Very low93 Ų93136.7 Ų136.757%0.57178%0.776SS**  trans35129.1142.2570000122.3
871T26.6Very low27.1Very low134 Ų134139 Ų13982%0.82278%0.782SS**  trans64110.2140.757.60000120.8
872S29.1Very low26.9Very low122 Ų122142.3 Ų142.385%0.85379%0.785SS**  -157.9166.994.863.50000111.2
873E25.3Very low26.8Very low186 Ų186142.3 Ų142.387%0.86978%0.777SS**  trans-83.8154.8-172.2-59.7159.1127.800113.3
874V31.1Very low26.6Very low137 Ų137143.3 Ų143.383%0.8378%0.778SS**  -177.4126.4121.71500000110.1
875N27.6Very low26.5Very low128 Ų128144.9 Ų144.968%0.68478%0.78SS**  trans13.2144161.6-68.122.2000124.7
876E27Very low26.6Very low157 Ų157138.2 Ų138.273%0.73477%0.77SS**  trans88.9119.5135.6-80.8159.4-124.700122.6
877T28.8Very low26.6Very low128 Ų128135.5 Ų135.579%0.78576%0.756SS**  trans71.198150.758.20000120.3
878T22.7Very low26.7Very low136 Ų136134.5 Ų134.583%0.83475%0.751SS**  trans-45.1147.2133.680000111.2
879P27.1Very low26.7Very low112 Ų112135.5 Ų135.573%0.72776%0.755SS**  -147.3175.481.540.2-23.2000116.8
880S23Very low26.6Very low97 Ų97135.2 Ų135.268%0.67875%0.753SS**  trans-62.9137170.144.80000113.2F882S880-F882 PolarHBondContact O-N 3.39Å
881L25.9Very low26.5Very low156 Ų156138.6 Ų138.682%0.81777%0.767SS**  trans-91.894.6167.4-76.3175.5000111.4I883L881-I883 HydrophobicContact CB-CG1 4.44Å
882F23Very low26.5Very low181 Ų181141.1 Ų141.179%0.79477%0.766SS**  trans-67.6120.3146.6-83.8-96.4000108.2S880S880-F882 PolarHBondContact O-N 3.39Å
883I29.6Very low26.4Very low130 Ų130143 Ų14367%0.66777%0.766SS**  trans-102.790.7166.9-59.6-178.1000108.3L881 N885L881-I883 HydrophobicContact CB-CG1 4.44Å; I883-N885 HydrophobicContact CG2-CB 4.48Å
884N25.2Very low26.5Very low148 Ų148141.5 Ų141.579%0.79176%0.764SS**  trans-66.7138.1151.6-78.3-32.8000108
885N28Very low26.3Very low149 Ų149144.1 Ų144.180%0.79776%0.761SS**  trans-152.3113.9160.1-113.9-31.8000110.7I883I883-N885 HydrophobicContact CG2-CB 4.48Å
886S27.9Very low26.2Very low102 Ų102146.4 Ų146.471%0.71376%0.761SS**  trans-125108.8172.7-72.90000107.7
887N26.1Very low26.2Very low113 Ų113148.1 Ų148.160%0.60477%0.769SS**  trans15.5125.5161.1-35.7-67.4000117.8
888D26.6Very low25.9Very low134 Ų134148.2 Ų148.272%0.71777%0.765SS**  -155.914296.5-106.6-21.1000117
889I24.7Very low26.1Very low140 Ų140150.4 Ų150.472%0.71876%0.763SS**  trans-1118.5156-55.8156.3000118.1
890I26.3Very low26Very low156 Ų156150.7 Ų150.780%0.876%0.762SS**  -134.6121.4112.9-60-176.5000108.9
891L25Very low26.1Very low165 Ų165152.3 Ų152.386%0.86476%0.763SS**  trans-111.9121.6159.3-91.9169.9000108.6
892K26.9Very low26Very low187 Ų187152.7 Ų152.781%0.81377%0.765SS**  trans-128129160.6-103.4-171.2173.2-174.60107.6
893N26.2Very low26.2Very low160 Ų160147 Ų14786%0.85676%0.757SS**  trans-150.2103.6167.5-131.84000107
894D28Very low25.9Very low155 Ų155152.3 Ų152.383%0.82977%0.77SS**  trans-129.9158.9174.4-97.7-49.3000109.6
895Y26.5Very low25.9Very low193 Ų193153 Ų15376%0.75777%0.766SS**  trans-69.3141.3-154.6-96.9-144.3000117.4
896Y25.2Very low25.7Very low175 Ų175153.6 Ų153.669%0.68676%0.762SS**  trans64.2117.8138.1-78.2-131000120.2
897Q26.6Very low25.6Very low193 Ų193157 Ų15790%0.90277%0.766SS**  -145.1159.1103-125-17022.100113
898N23.8Very low25.4Very low130 Ų130158.5 Ų158.570%0.69577%0.774SS**  trans-74.6143.5-165.7-57-43.6000113.7
899K26.7Very low25.3Very low183 Ų183155.5 Ų155.580%0.79677%0.774SS**  -147.5108.4119.9-125.5-174.1179.4-161.60112.4D901K899-D901 IonicContact NZ-OD2 3.7Å
900V24.2Very low25.2Very low118 Ų118156.3 Ų156.372%0.71578%0.779SS**  trans-120.1112.7162.8173.50000105.7I902V900-I902 HydrophobicContact CG1-CD1 3.91Å; V900-I902 HydrophobicContact CG1-CG1 3.88Å
901D26.2Very low25.2Very low131 Ų131158.7 Ų158.770%0.70178%0.784SS**  trans-109.3117165.7-83.1-56.8000107.4K899K899-D901 IonicContact NZ-OD2 3.7Å
902I22.5Very low25.2Very low164 Ų164157.8 Ų157.884%0.84178%0.781SS**  trans-123.5106.3172.7-67.3175.8000108V900V900-I902 HydrophobicContact CG1-CD1 3.91Å; V900-I902 HydrophobicContact CG1-CG1 3.88Å
903G27.2Very low25.2Very low61 Ų61151.5 Ų151.563%0.62977%0.768SS**  trans166134.9179.400000107.4
904Y24.9Very low25.2Very low242 Ų242151.7 Ų151.795%0.94977%0.77SS**  cis-108.7-177.327.1-79.9-99.3000115.1
905K24.3Very low25.2Very low163 Ų163150.6 Ų150.671%0.70977%0.768SS**  trans-156.1147.5-165.1-169.2-177179.2-179.10109.5
906F23.4Very low25.4Very low160 Ų160146.9 Ų146.970%0.70277%0.766SS**  trans68.4146.5-174.5-53.4-74.9000113.1
907H26.2Very low25.7Very low175 Ų175145.8 Ų145.881%0.8177%0.767SS**  cis-146.6162.440.6-127.9-86000114.8
908D22.2Very low25.8Very low144 Ų144144 Ų14477%0.7776%0.759SS**  trans-68.9152.7161.4-56.6-87.6000111.8
909G23.9Very low25.9Very low70 Ų70144.7 Ų144.772%0.72276%0.758SS**  trans137.7118.4154.500000116.8
910L23.5Very low25.9Very low157 Ų157140.3 Ų140.382%0.82276%0.755SS**  trans3.5130142.4-71.6150.6000118
911F26.5Very low26Very low207 Ų207139.5 Ų139.591%0.90875%0.754SS**  -151.8130.9114.2-114.7-75.8000111.2
912N25.5Very low26.1Very low146 Ų146143.1 Ų143.178%0.78176%0.764SS**  trans-89.3145.8162.6-87.15.4000109
913G26.5Very low26.1Very low54 Ų54142 Ų14256%0.55776%0.759SS**  78.3110.8118.500000119.5
914D26.2Very low26.3Very low165 Ų165143.9 Ų143.988%0.88276%0.758SS**  83.4138.1118.5-46.7-33.8000121.2
915T28.2Very low26.7Very low131 Ų131138.5 Ų138.580%0.80475%0.746SS**  trans-150.2149.9165.845.50000106.8
916T30.5Very low27.1Very low115 Ų115136 Ų13671%0.70674%0.74SS**  cis-155.3177.3-11.133.40000105.6
917Q30.7Very low27.3Very low153 Ų153133.8 Ų133.872%0.71574%0.736SS**  -169.9176.453.4-69.7-173.2700108
918Q28.8Very low28Very low154 Ų154131.7 Ų131.772%0.7273%0.73SS**  cis-157-175.615.6-139177.574.800106.7
919H26.1Very low28.2Very low146 Ų146130.9 Ų130.968%0.67673%0.726SS**  cis-149.1-77.93176.616.1000113.8
920A27Very low28.3Very low90 Ų90134.8 Ų134.874%0.74473%0.725SS**  trans-80.6126.2-161.300000112.6
921C25.1Very low28.4Very low102 Ų102131.9 Ų131.969%0.68972%0.718SS**  cis99.185.635.7-71.10000114.1
922K28.3Very low28.3Very low207 Ų207132.9 Ų132.990%0.972%0.716SS**  trans166.3148.9139.7-93.9172.3-179.9177.60109
923N23.9Very low28.2Very low140 Ų140130.6 Ų130.675%0.74971%0.71SS**  cis-167.7175.3-27.6-161.35.3000107.3
924V29.8Very low28.1Very low101 Ų101138.4 Ų138.461%0.61272%0.723SS**  trans67.7120.2158.4175.40000116.3
925N34.4Very low28.1Very low129 Ų129135.2 Ų135.269%0.6971%0.714SS**  trans72.9138.2155.2-67.7-0.7000119.6
926N31.8Very low28.1Very low111 Ų111137.4 Ų137.459%0.59471%0.712SS**  cis-160.7147.8-20.3-122.6-7.2000112.8
927N29Very low28Very low113 Ų113136.9 Ų136.960%0.60471%0.705SS**  trans45150.6132.4-65-11000122.6
928N40.8Very low27.9Very low130 Ų130134.6 Ų134.670%0.69571%0.706SS**  trans63.179.1150.4-58.9-6.5000113.3
929N24.8Very low28Very low127 Ų127134.1 Ų134.168%0.67971%0.707SS**  cis48.4155.440.2-60.6-18.3000113.8
930H26Very low28Very low153 Ų153133.9 Ų133.971%0.70871%0.71SS**  trans63.2108.3161-57.5-50000116.9
931S27.6Very low27.8Very low96 Ų96133.7 Ų133.767%0.67170%0.704SS**  54.588.860.1900000112.9
932R23.9Very low27.8Very low227 Ų227135.2 Ų135.286%0.85771%0.705SS**  -176.5138.5128.9-109.1-179.7170.2130.7-2.3111.7
933C23.4Very low27.8Very low99 Ų99132 Ų13267%0.66970%0.697SS**  trans68.3161.2142.4-64.70000117.1
934R24.8Very low28.1Very low217 Ų217130.6 Ų130.682%0.81969%0.689SS**  cis-155.9146.4-10.9-127.9170.9178.7178.3-2.4110.2
935S25.1Very low27.8Very low98 Ų98133 Ų13369%0.68570%0.698SS**  trans64.2161.8155.3-46.70000114.4
936K28.3Very low27.4Very low177 Ų177135 Ų13577%0.7770%0.701SS**  cis-141.515523.1-78.8-174.8142.7-1100109.6
937D28.8Very low27.3Very low105 Ų105136.8 Ų136.856%0.56171%0.71SS**  cis-155.6168.1-3.2-100.5-26.9000108.7
938S28.5Very low27.3Very low105 Ų105137.2 Ų137.273%0.73471%0.712SS**  trans66.7124.5153.6-750000119.6
939L29.7Very low26.7Very low143 Ų143137.5 Ų137.575%0.74971%0.714SS**  cis-144.4147.2-1.1-82.2174.6000110.9
940L26.4Very low26.9Very low141 Ų141136.5 Ų136.574%0.73872%0.717SS**  trans36.7125.2135.1-60.9176.7000118.8
941S24.3Very low26.7Very low87 Ų87134.2 Ų134.261%0.60872%0.718SS**  61.9141.371.7-74.30000112.4
942D24.1Very low26.5Very low134 Ų134137 Ų13772%0.71773%0.725SS**  cis-159.8174.5-10.9-97.9-46.1000105.3
943D28.5Very low26.7Very low138 Ų138133.2 Ų133.274%0.73873%0.728SS**  trans149.1127.8133.2-82.8-21.3000116.1
944I30.1Very low26.8Very low112 Ų112136 Ų13657%0.57473%0.731SS**  54.3110127.5-56.8171000116.6F946I944-F946 HydrophobicContact CG2-CD2 3.65Å; I944-F946 HydrophobicContact CG2-CE2 3.74Å
945N24Very low27Very low151 Ų151135.2 Ų135.281%0.80774%0.736SS**  64.9162.774.3-75.1-40.5000115
946F25.8Very low27.1Very low170 Ų170137.9 Ų137.975%0.74674%0.737SS**  trans69.8130-165.5-51.9-78.9000113I944I944-F946 HydrophobicContact CG2-CD2 3.65Å; I944-F946 HydrophobicContact CG2-CE2 3.74Å
947L30.1Very low27Very low149 Ų149139.5 Ų139.578%0.7874%0.74SS**  cis-122.5143.20.2-81.9101.2000109.3
948N28.4Very low27.2Very low122 Ų122140.9 Ų140.965%0.65274%0.743SS**  4912883-65.71.2000113.1
949N28.5Very low27.1Very low136 Ų136140.7 Ų140.773%0.72773%0.734SS**  cis-150.6153.913.4-105.3-12.2000114.9
950S28.4Very low27.1Very low106 Ų106142.8 Ų142.874%0.74173%0.734SS**  trans22.4129.6148.3-49.80000122.4
951S22.6Very low27.2Very low105 Ų105142.7 Ų142.773%0.73473%0.734SS**SBendtrans-69.9159.1145.245.30000112.3
952N22.6Very low27.5Very low154 Ų154145.9 Ų145.982%0.82474%0.744SS**  trans59.1115.9168.1-67.3-9000119.3
953T28.1Very low28Very low148 Ų148148.6 Ų148.691%0.90875%0.749SS**  trans-148145.7140.1-35.20000109.2
954Q25.2Very low28Very low158 Ų158147.7 Ų147.774%0.73875%0.751SS**  trans-87.2155.5-175.9-61.9162.8-73.300112
955H30.2Very low27.8Very low200 Ų200152.7 Ų152.793%0.92677%0.769SS**  trans-135.4130.4146.9-104.2-84.9000110
956H26.1Very low28Very low154 Ų154149 Ų14971%0.71377%0.766SS**  trans-80.4146.1178.4-94.8-74.3000112.1
957Y27.2Very low28Very low212 Ų212149.3 Ų149.383%0.83178%0.775SS**  170.3127.5129.5-90.4-68.8000106.8
958Q31.8Very low27.9Very low134 Ų134149.6 Ų149.663%0.62678%0.777SS**  cis-160.4150.7-8.5-147.2-173.48.100109.6
959N27.8Very low27.6Very low101 Ų101148.7 Ų148.754%0.5478%0.78SS.*  trans61136.9157.1-65.5-10000119.7
960Y29.7Very low27.9Very low187 Ų187147.9 Ų147.973%0.73378%0.782SS**  cis-141143.9-6.7-97.5-63.3000110.8
961D28.3Very low27.7Very low139 Ų139148.4 Ų148.474%0.74378%0.781SS**  trans27128.7152-52.5-18.7000121.5
962N29.3Very low28Very low154 Ų154152.6 Ų152.682%0.82479%0.788SS**  trans-151.1134.2151.9-127.4-64.5000112.6
963K36.5Very low28.2Very low190 Ų190152 Ų15283%0.82678%0.781SS**  trans69.8125-175.8-52.7-178.2-179.4-179.80114.6
964P28.6Very low28.3Very low120 Ų120152.6 Ų152.678%0.77978%0.777SS**  -120.2175.689.1-2.222.9000115.8
965F24.7Very low28.2Very low216 Ų216150.6 Ų150.695%0.94777%0.772SS**  trans-16.5143.1166.3-59.7-91.7000120.1
966G27.5Very low28.2Very low73 Ų73150 Ų15075%0.75377%0.767SS**  trans153.188.5147.100000117.4
967L26.2Very low28.3Very low177 Ų177149.1 Ų149.193%0.92777%0.767SS**  trans-140.7140.1151.1-83.6-176.4000111
968L27.7Very low28.3Very low156 Ų156143.6 Ų143.682%0.81776%0.76SS**  trans-112.6133.2173.5-73.2141.4000106
969S23.9Very low28Very low103 Ų103147.2 Ų147.272%0.7277%0.774SS**  66.7151.681.7-47.50000114.6
970P33.1Very low27.8Very low118 Ų118146.2 Ų146.277%0.76679%0.787SS**  cis-141.5-176.7-30.737.8-18.6000115.5
971T24.9Very low27.7Very low118 Ų118143.9 Ų143.972%0.72479%0.792SS**  trans-30.1146.116854.20000121.7
972H29.5Very low27.5Very low192 Ų192141.7 Ų141.789%0.88979%0.788SS**  -158.1105.6123.9-95.8-79000107.2
973H25.7Very low27.5Very low143 Ų143143.2 Ų143.266%0.66279%0.79SS**  8099.670-164.6-37.8000114.4D975H973-D975 IonicContact CE1-OD2 3.72Å
974L30Very low26.9Very low159 Ų159142.1 Ų142.183%0.83279%0.789SS**  -177.7147.2130-98.3169.6000111
975D24.1Very low26.9Very low117 Ų117141.5 Ų141.563%0.62678%0.784SS**  trans-98.8157.4-162-44.1-93.9000113.8H973H973-D975 IonicContact CE1-OD2 3.72Å
976F29.2Very low27.1Very low187 Ų187138.7 Ų138.782%0.8278%0.779SS**  173.5126114.3-107.9-87000114.2
977D28Very low27.1Very low135 Ų135140.9 Ų140.972%0.72278%0.782SS**  trans35.399.7150.3-60.3-11.2000123.6
978S28Very low27Very low97 Ų97140.3 Ų140.368%0.67878%0.78SS**  59.292.9111.3-171.60000122.2
979F25.6Very low27Very low210 Ų210138.6 Ų138.692%0.92178%0.777SS**  50.2122.5130-61.4-71.6000122.5
980G24.5Very low27.2Very low79 Ų79143.3 Ų143.381%0.81478%0.78SS**  trans-172.529.5169.300000117.2
981V25.9Very low26.9Very low138 Ų138142.4 Ų142.484%0.83678%0.783SS**  trans-138.6108.3-174-173.30000107.8
982S24.8Very low26.9Very low94 Ų94144.2 Ų144.266%0.65778%0.781SS**  62.692.881.6-164.20000113.9
983E28.6Very low26.8Very low186 Ų186139.9 Ų139.987%0.86977%0.772SS**  trans-108.276.5177.1-164.8164.4-135.300111.5T985E983-T985 PolarHBondContact O-N 3.21Å
984M24.9Very low27.4Very low166 Ų166139.9 Ų139.982%0.81878%0.782SS**  trans-81.876.1172.1-79166.637.100111.9
985T28.3Very low27.9Very low108 Ų108136.3 Ų136.366%0.66376%0.76SS**  trans-161.3112.7155.935.20000112.5E983E983-T985 PolarHBondContact O-N 3.21Å
986N28Very low29.3Very low157 Ų157135.9 Ų135.984%0.8476%0.758SS**  trans-179.643.2136.7-93.6-32.2000112.1N988N986-N988 VanDerWaalsContact C-N 3.26Å; N986-N988 PolarHBondContact O-N 3.35Å
987S27.4Very low30.9Very low118 Ų118131 Ų13183%0.82575%0.747SS**  trans-79.365.6178.156.40000112.2
988N25Very low32.9Very low166 Ų166129 Ų12989%0.88874%0.736SS**  trans-15731.3171.6-106.6-21.7000114.4N986N986-N988 VanDerWaalsContact C-N 3.26Å; N986-N988 PolarHBondContact O-N 3.35Å
989T27.9Very low34.7Very low120 Ų120124.8 Ų124.874%0.73671%0.706SS**SBendtrans-135.6112.7175.8-58.30000111.3
990Y27Very low36.7Very low201 Ų201117.8 Ų117.879%0.78868%0.679SS**  trans23.195.1166-69.3-84.5000118.4F992Y990-F992 VanDerWaalsContact C-N 3.34Å; Y990-F992 HydrophobicContact CD1-CE2 4.44Å; Y990-F992 PolarHBondContact O-N 3.04Å
991A26.9Very low39Very low100 Ų100116.2 Ų116.283%0.82666%0.657SS**  trans-70.279174.500000113.7
992F26.7Very low41.7Very low156 Ų156111 Ų11168%0.68462%0.623SS**  trans-112.513.2166.2-77.5-70.7000112.9Y990Y990-F992 VanDerWaalsContact C-N 3.34Å; Y990-F992 HydrophobicContact CD1-CE2 4.44Å; Y990-F992 PolarHBondContact O-N 3.04Å
993S27Very low44.1Very low101 Ų101109.9 Ų109.971%0.70661%0.608SS**  trans-11950.4-159.461.30000115.8
994T37.4Very low46.4Very low142 Ų142110.4 Ų110.487%0.87160%0.602SS**  trans-160.472.6154.647.40000110.5
995F41Very low49Very low84 Ų84104.9 Ų104.937%0.36858%0.576SS.*  trans-80.5125.8155.3-75.7-64.8000108.3S997 L1000 P1127 R1128F995-S997 PolarHBondContact O-N 3.18Å; F995-L1000 HydrophobicContact CB-CD1 3.78Å; F995-L1000 HydrophobicContact CB-CG 3.93Å; F995-P1127 HydrophobicContact CE1-CB 4.02Å; F995-P1127 HydrophobicContact CZ-CB 3.74Å; F995-R1128 WeakPolarHBondContact CE1-O 3.29Å
996D54.2Low51.5Low108 Ų108103.5 Ų103.558%0.57857%0.571SS**  trans-51.1135.6169.4-82.7-46000110D998 C999 L1000D996-D998 PolarHBondContact O-N 3.5Å; D996-D998 VanDerWaalsContact O-N 3.08Å; D996-C999 HydrophobicContact CB-CB 4.26Å; D996-C999 PolarHBondContact O-N 3.48Å; D996-L1000 PolarHBondContact O-N 3.07Å; D996-L1000 VanDerWaalsContact O-N 3.13Å
997S62.9Low54.1Low84 Ų8499.9 Ų99.959%0.58755%0.551SS**Hα-helixtrans-46.9-39.4171.445.80000111.3F995 L1000 A1001F995-S997 PolarHBondContact O-N 3.18Å; S997-L1000 PolarHBondContact O-N 3.02Å; S997-A1001 VanDerWaalsContact O-CB 3.3Å; S997-A1001 WeakPolarHBondContact O-CB 3.35Å; S997-A1001 PolarHBondContact O-N 3.04Å
998D68.3Low57Low93 Ų9398.3 Ų98.350%0.49753%0.527SS..Hα-helixtrans-77.8-20.5-175-67.832.6000113.1D996 W1002 R1210D996-D998 PolarHBondContact O-N 3.5Å; D996-D998 VanDerWaalsContact O-N 3.08Å; D998-W1002 WeakPolarHBondContact O-CB 3.38Å; D998-W1002 PolarHBondContact O-N 3.01Å; D998-R1210 PolarHBondContact O-NH1 2.89Å
999C66Low59.7Low9 Ų994.4 Ų94.46%0.06151%0.506CS..Hα-helixtrans-78.6-43.4167.4-780000110.3D996 W1002 M1003 G1129D996-C999 HydrophobicContact CB-CB 4.26Å; D996-C999 PolarHBondContact O-N 3.48Å; C999-W1002 PolarHBondContact O-N 3.03Å; C999-M1003 HydrophobicContact CB-CE 4.42Å; C999-M1003 WeakPolarHBondContact O-CE 3.32Å; C999-M1003 WeakPolarHBondContact O-CG 3.43Å; C999-M1003 PolarHBondContact O-N 3.08Å; C999-G1129 PolarHBondContact SG-O 3.38Å
1000L68.3Low62.4Low64 Ų6489.9 Ų89.934%0.33548%0.478SS..Hα-helixtrans-67.2-34176.2-74.8167.4000113.1F995 D996 S997 M1003 R1004F995-L1000 HydrophobicContact CB-CD1 3.78Å; F995-L1000 HydrophobicContact CB-CG 3.93Å; D996-L1000 PolarHBondContact O-N 3.07Å; D996-L1000 VanDerWaalsContact O-N 3.13Å; S997-L1000 PolarHBondContact O-N 3.02Å; L1000-M1003 HydrophobicContact CD2-CE 4.04Å; L1000-M1003 HydrophobicContact CG-CE 4.48Å; L1000-R1004 WeakPolarHBondContact O-CG 3.34Å
1001A73.3Confident64.8Low45 Ų4581.8 Ų81.837%0.37245%0.45SS..Hα-helixtrans-65.1-50.4174.100000110.8S997 M1003 R1004S997-A1001 VanDerWaalsContact O-CB 3.3Å; S997-A1001 WeakPolarHBondContact O-CB 3.35Å; S997-A1001 PolarHBondContact O-N 3.04Å; A1001-M1003 VanDerWaalsContact C-N 3.32Å; A1001-M1003 PolarHBondContact O-N 2.81Å; A1001-R1004 WeakPolarHBondContact O-CB 3.49Å; A1001-R1004 PolarHBondContact O-N 3.18Å
1002W82.4Confident66.1Low28 Ų2883.1 Ų83.111%0.10644%0.443CS..Hα-helixtrans-61.5-36.5178.4-86.862.4000113.3D998 C999 R1004 L1005 H1167 L1169 I1174 K1207 Q1208 R1210D998-W1002 WeakPolarHBondContact O-CB 3.38Å; D998-W1002 PolarHBondContact O-N 3.01Å; C999-W1002 PolarHBondContact O-N 3.03Å; W1002-R1004 PolarHBondContact O-N 3.12Å; W1002-L1005 PolarHBondContact O-N 3.3Å; W1002-H1167 HydrophobicContact CZ3-CB 3.77Å; W1002-L1169 HydrophobicContact CH2-CB 3.96Å; W1002-L1169 HydrophobicContact CZ2-CB 3.8Å; W1002-L1169 HydrophobicContact CZ2-CD2 4.24Å; W1002-I1174 HydrophobicContact CD2-CD1 4.29Å; W1002-I1174 HydrophobicContact CE3-CD1 3.62Å; W1002-I1174 HydrophobicContact CE3-CG1 4.34Å; W1002-I1174 HydrophobicContact CZ3-CD1 4.12Å; W1002-I1174 HydrophobicContact CZ3-CG1 4.43Å; W1002-I1174 WeakPolarHBondContact O-CD1 3.33Å; W1002-K1207 VanDerWaalsContact CZ2-O 3.31Å; W1002-K1207 WeakPolarHBondContact CZ2-O 3.44Å; W1002-Q1208 WeakPolarHBondContact CH2-O 3.48Å; W1002-R1210 HydrophobicContact CE3-CG 4.4Å; W1002-R1210 VanDerWaalsContact CG-NH1 3.28Å; W1002-R1210 HydrophobicContact CH2-CB 4.35Å; W1002-R1210 HydrophobicContact CH2-CG 3.84Å; W1002-R1210 HydrophobicContact CZ2-CG 4.23Å; W1002-R1210 HydrophobicContact CZ3-CB 4.11Å; W1002-R1210 HydrophobicContact CZ3-CG 3.93Å
1003M73.8Confident67.2Low72 Ų7282.4 Ų82.436%0.35544%0.442SS..THydrogen-bonded Turntrans-70.8-5.5175.7-73.3-172.8-73.100114.7C999 L1000 A1001 R1128C999-M1003 HydrophobicContact CB-CE 4.42Å; C999-M1003 WeakPolarHBondContact O-CE 3.32Å; C999-M1003 WeakPolarHBondContact O-CG 3.43Å; C999-M1003 PolarHBondContact O-N 3.08Å; L1000-M1003 HydrophobicContact CD2-CE 4.04Å; L1000-M1003 HydrophobicContact CG-CE 4.48Å; A1001-M1003 VanDerWaalsContact C-N 3.32Å; A1001-M1003 PolarHBondContact O-N 2.81Å; M1003-R1128 HydrophobicContact CE-CB 4.47Å; M1003-R1128 WeakPolarHBondContact CE-O 3.34Å; M1003-R1128 HydrophobicContact SD-CB 3.52Å; M1003-R1128 VanDerWaalsContact SD-CB 3.52Å
1004R76.9Confident68.3Low196 Ų19680.2 Ų80.274%0.7442%0.422SS*.THydrogen-bonded Turntrans-99.7-9.8175.9-71.8170.6176.8136.2-3.9114L1000 A1001 W1002L1000-R1004 WeakPolarHBondContact O-CG 3.34Å; A1001-R1004 WeakPolarHBondContact O-CB 3.49Å; A1001-R1004 PolarHBondContact O-N 3.18Å; W1002-R1004 PolarHBondContact O-N 3.12Å
1005L79.9Confident68.5Low50 Ų5078.1 Ų78.126%0.26241%0.409SS..SBendtrans-82.5147.9-177.9-54.2-178.4000111.1W1002 I1007 L1169 I1174W1002-L1005 PolarHBondContact O-N 3.3Å; L1005-I1007 PolarHBondContact O-N 3.2Å; L1005-L1169 HydrophobicContact CD1-CD1 3.39Å; L1005-I1174 HydrophobicContact CB-CD1 3.86Å; L1005-I1174 HydrophobicContact CB-CG1 3.9Å; L1005-I1174 HydrophobicContact CD1-CD1 4.06Å; L1005-I1174 HydrophobicContact CD1-CG1 3.92Å; L1005-I1174 HydrophobicContact CG-CD1 4.44Å
1006S80.7Confident68.2Low80 Ų8082.1 Ų82.156%0.55943%0.429SS*.EExtended strand (participates in β ladder)trans-72.4124.817547.50000110.8S1173 I1174S1006-S1173 WeakPolarHBondContact O-CA 3.34Å; S1006-I1174 PolarHBondContact O-N 2.87Å
1007I83.9Confident67.3Low81 Ų8182.1 Ų82.142%0.41543%0.429SS..EExtended strand (participates in β ladder)trans-94.5137.6177.5-57.6165.4000109.4L1005 I1174 A1176L1005-I1007 PolarHBondContact O-N 3.2Å; I1007-I1174 CarbonylContact C-O 3.57Å; I1007-I1174 WeakPolarHBondContact CA-O 2.77Å; I1007-I1174 HydrophobicContact CG1-CB 4.11Å; I1007-I1174 HydrophobicContact CG1-CD1 4.33Å; I1007-I1174 HydrophobicContact CG1-CG2 4.43Å; I1007-A1176 HydrophobicContact CG2-CB 3.67Å
1008Y86.7Confident65.9Low84 Ų8481.7 Ų81.733%0.32942%0.418SS..EExtended strand (participates in β ladder)trans-128.3138.4167.953.3-82.7000110.7V1010 E1170 I1174 A1176Y1008-V1010 HydrophobicContact CD2-CG1 3.58Å; Y1008-V1010 HydrophobicContact CE2-CG1 3.65Å; Y1008-E1170 WeakPolarHBondContact OH-CB 3.47Å; Y1008-E1170 VanDerWaalsContact OH-CD 3.31Å; Y1008-E1170 PolarHBondContact OH-OE2 3.45Å; Y1008-I1174 VanDerWaalsContact CD1-O 3.3Å; Y1008-I1174 WeakPolarHBondContact CD1-O 3.48Å; Y1008-I1174 PolarHBondContact N-O 3.4Å; Y1008-A1176 PolarHBondContact O-N 3.07Å
1009D83.1Confident64.2Low84 Ų8484.2 Ų84.245%0.44943%0.432SS..EExtended strand (participates in β ladder)trans-85.2120.6178.9-167.3-29.5000110.2T1011 A1176D1009-T1011 WeakPolarHBondContact OD1-CB 3.46Å; D1009-T1011 PolarHBondContact OD1-N 3.27Å; D1009-T1011 PolarHBondContact OD1-OG1 3.05Å; D1009-A1176 WeakPolarHBondContact CA-O 3.25Å
1010V84.3Confident62.3Low26 Ų2690.5 Ų90.516%0.15847%0.465CS..  trans-101.9-1.3178.5-62.80000113.5Y1008 N1012 H1013 L1014 S1175 A1176 R1177Y1008-V1010 HydrophobicContact CD2-CG1 3.58Å; Y1008-V1010 HydrophobicContact CE2-CG1 3.65Å; V1010-N1012 VanDerWaalsContact C-N 3.28Å; V1010-N1012 PolarHBondContact O-N 2.89Å; V1010-H1013 PolarHBondContact O-N 2.95Å; V1010-L1014 HydrophobicContact CG2-CD1 4.43Å; V1010-L1014 PolarHBondContact O-N 3.43Å; V1010-S1175 WeakPolarHBondContact CG1-OG 3.44Å; V1010-S1175 WeakPolarHBondContact CG2-OG 3.19Å; V1010-A1176 WeakPolarHBondContact CG2-O 3.44Å; V1010-A1176 PolarHBondContact N-O 3.21Å; V1010-R1177 HydrophobicContact CG2-CB 4Å
1011T76.4Confident60.6Low31 Ų3189.6 Ų89.619%0.1946%0.464CS..Hα-helixtrans-55.3-43-173.3-48.90000112.1D1009 H1013 K1178D1009-T1011 WeakPolarHBondContact OD1-CB 3.46Å; D1009-T1011 PolarHBondContact OD1-N 3.27Å; D1009-T1011 PolarHBondContact OD1-OG1 3.05Å; T1011-H1013 PolarHBondContact O-N 2.91Å; T1011-K1178 HydrophobicContact CG2-CB 3.85Å; T1011-K1178 WeakPolarHBondContact OG1-CB 3.39Å; T1011-K1178 PolarHBondContact OG1-N 2.76Å
1012N55.2Low58.8Low127 Ų12793 Ų9368%0.67949%0.485SS*.Hα-helixtrans-74.3-22.1-177.7-65.1-26.3000113.7V1010 T1015V1010-N1012 VanDerWaalsContact C-N 3.28Å; V1010-N1012 PolarHBondContact O-N 2.89Å; N1012-T1015 PolarHBondContact O-OG1 3.44Å
1013H50.6Low56.8Low142 Ų14297.8 Ų97.866%0.65751%0.508SS*.Hα-helixtrans-77.9-38.9176.6-79.3-67.9000111.4V1010 T1011 T1015 E1016V1010-H1013 PolarHBondContact O-N 2.95Å; T1011-H1013 PolarHBondContact O-N 2.91Å; H1013-T1015 PolarHBondContact O-N 3.47Å; H1013-E1016 PolarHBondContact O-N 2.96Å
1014L49.6Very low55.4Low54 Ų5497.5 Ų97.528%0.28351%0.508SS..Hα-helixtrans-64.2-28.8178.4-62.6172.2000112.4V1010 E1016 D1017 M1018 R1177V1010-L1014 HydrophobicContact CG2-CD1 4.43Å; V1010-L1014 PolarHBondContact O-N 3.43Å; L1014-E1016 VanDerWaalsContact C-N 3.26Å; L1014-E1016 PolarHBondContact O-N 3.18Å; L1014-D1017 PolarHBondContact O-N 2.85Å; L1014-M1018 HydrophobicContact CB-CG 4.16Å; L1014-M1018 HydrophobicContact CD2-CE 4.05Å; L1014-M1018 WeakPolarHBondContact O-CB 3.4Å; L1014-M1018 WeakPolarHBondContact O-CG 3.32Å; L1014-M1018 PolarHBondContact O-N 3.34Å; L1014-R1177 HydrophobicContact CD1-CB 4.46Å; L1014-R1177 HydrophobicContact CD1-CG 3.76Å
1015T41Very low54Low98 Ų9896.3 Ų96.360%0.60151%0.511SS*.Hα-helixtrans-66.5-16.5-177.638.80000115.9N1012 H1013N1012-T1015 PolarHBondContact O-OG1 3.44Å; H1013-T1015 PolarHBondContact O-N 3.47Å
1016E35.9Very low52.7Low168 Ų16894.9 Ų94.979%0.78550%0.503SS*.Hα-helixtrans-95-36.6172.8-60.3-158.2142.100112.2H1013 L1014H1013-E1016 PolarHBondContact O-N 2.96Å; L1014-E1016 VanDerWaalsContact C-N 3.26Å; L1014-E1016 PolarHBondContact O-N 3.18Å
1017D33.2Very low51.4Low109 Ų10994 Ų9458%0.58350%0.496SS*.Hα-helixtrans-83.1-16.8-179.6-71.3-40000115L1014 N1019 N1020 S1021L1014-D1017 PolarHBondContact O-N 2.85Å; D1017-N1019 PolarHBondContact O-N 3.18Å; D1017-N1019 VanDerWaalsContact O-N 3.07Å; D1017-N1020 PolarHBondContact O-N 2.94Å; D1017-S1021 PolarHBondContact O-N 3.48Å; D1017-S1021 PolarHBondContact O-OG 2.84Å; D1017-S1021 VanDerWaalsContact O-OG 3.04Å
1018M34.7Very low50.3Low75 Ų7595 Ų9537%0.36950%0.502SS..THydrogen-bonded Turntrans-68.3-2.5-178.4-81.5-74.1142.200115.4L1014 N1020 S1021 L1024L1014-M1018 HydrophobicContact CB-CG 4.16Å; L1014-M1018 HydrophobicContact CD2-CE 4.05Å; L1014-M1018 WeakPolarHBondContact O-CB 3.4Å; L1014-M1018 WeakPolarHBondContact O-CG 3.32Å; L1014-M1018 PolarHBondContact O-N 3.34Å; M1018-N1020 VanDerWaalsContact C-N 3.28Å; M1018-S1021 WeakPolarHBondContact CA-OG 3.49Å; M1018-S1021 VanDerWaalsContact CE-OG 3.29Å; M1018-S1021 WeakPolarHBondContact CE-OG 3.41Å; M1018-L1024 HydrophobicContact CE-CB 4.49Å; M1018-L1024 HydrophobicContact CE-CD1 3.51Å; M1018-L1024 HydrophobicContact CE-CG 3.97Å; M1018-L1024 HydrophobicContact SD-CD1 4.26Å
1019N31.7Very low49.1Very low145 Ų14591.6 Ų91.678%0.77549%0.489SS*.THydrogen-bonded Turntrans-77-12.5166.1-71.3-61.8000113.3D1017D1017-N1019 PolarHBondContact O-N 3.18Å; D1017-N1019 VanDerWaalsContact O-N 3.07Å
1020N27.3Very low48Very low142 Ų14293.1 Ų93.176%0.75950%0.498SS*.THydrogen-bonded Turntrans-123.4-10.4-177-69.2-44.5000114.6D1017 M1018D1017-N1020 PolarHBondContact O-N 2.94Å; M1018-N1020 VanDerWaalsContact C-N 3.28Å
1021S31.1Very low47.2Very low44 Ų4497 Ų9731%0.30852%0.521SS..  trans-102.777.4-173.935.30000112.5D1017 M1018 E1023D1017-S1021 PolarHBondContact O-N 3.48Å; D1017-S1021 PolarHBondContact O-OG 2.84Å; D1017-S1021 VanDerWaalsContact O-OG 3.04Å; M1018-S1021 WeakPolarHBondContact CA-OG 3.49Å; M1018-S1021 VanDerWaalsContact CE-OG 3.29Å; M1018-S1021 WeakPolarHBondContact CE-OG 3.41Å; S1021-E1023 PolarHBondContact O-N 3.42Å
1022S36.7Very low46.8Very low116 Ų11697.1 Ų97.181%0.81152%0.52SS*.THydrogen-bonded Turntrans-6525.2-179.6-46.80000115.9
1023E40.6Very low47.8Very low130 Ų13094.8 Ų94.861%0.60751%0.514SS*.THydrogen-bonded Turntrans-116-13.7-165.2-168.4161.6-14200114S1021 N1191 R1194S1021-E1023 PolarHBondContact O-N 3.42Å; E1023-N1191 PolarHBondContact O-ND2 3.49Å; E1023-R1194 PolarHBondContact O-NH2 3.31Å
1024L43.1Very low49.3Very low66 Ų6692.4 Ų92.435%0.34650%0.499SS..SBendtrans-95.1-21.4170.9-68-169.9000114.2M1018 L1026M1018-L1024 HydrophobicContact CE-CB 4.49Å; M1018-L1024 HydrophobicContact CE-CD1 3.51Å; M1018-L1024 HydrophobicContact CE-CG 3.97Å; M1018-L1024 HydrophobicContact SD-CD1 4.26Å; L1024-L1026 PolarHBondContact O-N 2.9Å
1025Q47.4Very low50.9Low170 Ų17094.4 Ų94.479%0.79452%0.516SS*.SBendtrans-76.5105171.5-72.7-175.1-8.500109.3
1026L54.4Low53.1Low20 Ų2091.6 Ų91.611%0.10550%0.5CS..PPolyproline II helixtrans-58.9129.9162.7-142.679.8000107.2L1024 N1028 L1029 W1040 L1187 L1190 N1191 R1194L1024-L1026 PolarHBondContact O-N 2.9Å; L1026-N1028 PolarHBondContact O-N 2.82Å; L1026-L1029 HydrophobicContact CD2-CD1 4.44Å; L1026-W1040 HydrophobicContact CD2-CZ3 4.26Å; L1026-L1187 HydrophobicContact CB-CD2 4.39Å; L1026-L1187 HydrophobicContact CB-CG 4.28Å; L1026-L1187 HydrophobicContact CD2-CD1 3.5Å; L1026-L1187 VanDerWaalsContact CD2-CD1 3.5Å; L1026-L1187 HydrophobicContact CD2-CG 3.92Å; L1026-L1190 HydrophobicContact CD2-CB 4.22Å; L1026-N1191 HydrophobicContact CD1-CB 3.84Å; L1026-N1191 WeakPolarHBondContact CD1-OD1 3.34Å; L1026-R1194 HydrophobicContact CD1-CB 4.33Å
1027P52.9Low55.5Low63 Ų6383.6 Ų83.641%0.40946%0.462SS..PPolyproline II helixtrans-55.7143.6168.424.5-33.3000108.5L1029 L1032P1027-L1029 PolarHBondContact O-N 3.27Å; P1027-L1032 HydrophobicContact CG-CD1 4.1Å; P1027-L1032 HydrophobicContact CG-CD2 4.02Å; P1027-L1032 HydrophobicContact CG-CG 4.05Å
1028N59.8Low58.1Low101 Ų10181.8 Ų81.854%0.5445%0.45SS..PPolyproline II helixtrans-51133.4-174.1-174.531.3000110.1L1026 D1030 T1031L1026-N1028 PolarHBondContact O-N 2.82Å; N1028-D1030 PolarHBondContact ND2-OD2 3.16Å; N1028-D1030 PolarHBondContact O-N 2.94Å; N1028-T1031 PolarHBondContact O-N 2.87Å; N1028-T1031 PolarHBondContact O-OG1 3.26Å
1029L61.9Low60.8Low13 Ų1383.2 Ų83.27%0.06846%0.456CS..G310 helixtrans-60.2-28.2-165.6-160.967.9000112L1026 P1027 T1031 L1032 V1037 C1060 L1062L1026-L1029 HydrophobicContact CD2-CD1 4.44Å; P1027-L1029 PolarHBondContact O-N 3.27Å; L1029-T1031 VanDerWaalsContact C-N 3.27Å; L1029-T1031 PolarHBondContact O-N 3.24Å; L1029-L1032 HydrophobicContact CD1-CD1 4.05Å; L1029-L1032 PolarHBondContact O-N 3.35Å; L1029-V1037 HydrophobicContact CD1-CG1 4.44Å; L1029-V1037 HydrophobicContact CD1-CG2 4.33Å; L1029-C1060 VanDerWaalsContact CD2-O 3.32Å; L1029-C1060 WeakPolarHBondContact CD2-O 3.44Å; L1029-L1062 HydrophobicContact CD2-CD1 4.08Å; L1029-L1062 HydrophobicContact CD2-CG 4.28Å
1030D60.6Low63.6Low116 Ų11677.5 Ų77.562%0.6242%0.423SS*.G310 helixtrans-65.2-19.3175.6-40.8-31.1000114.4N1028N1028-D1030 PolarHBondContact ND2-OD2 3.16Å; N1028-D1030 PolarHBondContact O-N 2.94Å
1031T66.1Low66.6Low106 Ų10671 Ų7165%0.6539%0.389SS*.G310 helixtrans-101.2-6179.570.50000113.7N1028 L1029N1028-T1031 PolarHBondContact O-N 2.87Å; N1028-T1031 PolarHBondContact O-OG1 3.26Å; L1029-T1031 VanDerWaalsContact C-N 3.27Å; L1029-T1031 PolarHBondContact O-N 3.24Å
1032L69.4Low69.5Low34 Ų3473.2 Ų73.218%0.17840%0.397CS..SBendtrans-81.9142174-78.1160.2000110.7P1027 L1029 R1034 V1037 W1040P1027-L1032 HydrophobicContact CG-CD1 4.1Å; P1027-L1032 HydrophobicContact CG-CD2 4.02Å; P1027-L1032 HydrophobicContact CG-CG 4.05Å; L1029-L1032 HydrophobicContact CD1-CD1 4.05Å; L1029-L1032 PolarHBondContact O-N 3.35Å; L1032-R1034 PolarHBondContact O-N 3.35Å; L1032-V1037 HydrophobicContact CB-CG2 3.84Å; L1032-W1040 HydrophobicContact CD1-CH2 3.62Å; L1032-W1040 HydrophobicContact CD1-CZ3 3.5Å; L1032-W1040 VanDerWaalsContact CD1-CZ3 3.5Å; L1032-W1040 HydrophobicContact CD2-CH2 3.75Å; L1032-W1040 HydrophobicContact CD2-CZ2 4.42Å; L1032-W1040 HydrophobicContact CD2-CZ3 4.43Å; L1032-W1040 HydrophobicContact CG-CH2 4.35Å
1033S76.9Confident72.2Confident78 Ų7868.3 Ų68.355%0.54536%0.362SS..  trans-66.8131.3177.467.70000110.4P1035 C1036 V1037S1033-P1035 VanDerWaalsContact C-CD 3.43Å; S1033-P1035 VanDerWaalsContact C-N 3.3Å; S1033-C1036 WeakPolarHBondContact O-CA 3.4Å; S1033-C1036 VanDerWaalsContact O-CB 3.26Å; S1033-C1036 WeakPolarHBondContact O-CB 3.35Å; S1033-C1036 PolarHBondContact O-N 2.91Å; S1033-C1036 WeakPolarHBondContact OG-CB 3.46Å; S1033-V1037 PolarHBondContact O-N 3.31Å
1034R80.1Confident74.7Confident92 Ų9262.2 Ų62.235%0.34733%0.333SS..Hα-helixtrans-51.3-39.9-177.6-172.3162.4175.2178.7-9.2113.5L1032 C1036 V1037 H1038 D1058L1032-R1034 PolarHBondContact O-N 3.35Å; R1034-C1036 VanDerWaalsContact C-N 3.32Å; R1034-C1036 PolarHBondContact O-N 3.09Å; R1034-V1037 PolarHBondContact O-N 3.17Å; R1034-H1038 PolarHBondContact O-CD2 2.85Å; R1034-H1038 VanDerWaalsContact O-CD2 3.3Å; R1034-H1038 PolarHBondContact O-N 2.99Å; R1034-D1058 IonicContact CZ-OD1 3.23Å; R1034-D1058 VanDerWaalsContact CZ-OD1 3.23Å; R1034-D1058 PolarHBondContact NH1-O 2.93Å; R1034-D1058 IonicContact NH1-OD1 2.79Å; R1034-D1058 PolarHBondContact NH1-OD1 2.93Å; R1034-D1058 IonicContact NH2-OD1 2.72Å; R1034-D1058 PolarHBondContact NH2-OD1 3.45Å
1035P84.7Confident77.1Confident97 Ų9760.6 Ų60.663%0.6333%0.325SS*.Hα-helixtrans-60.1-34.8173.2-25.536.1000114.7S1033 H1038 H1039S1033-P1035 VanDerWaalsContact C-CD 3.43Å; S1033-P1035 VanDerWaalsContact C-N 3.3Å; P1035-H1038 PolarHBondContact O-N 3.06Å; P1035-H1039 PolarHBondContact O-N 3.11Å
1036C85.7Confident79.1Confident39 Ų3955.2 Ų55.226%0.26431%0.306SS..Hα-helixtrans-67.6-42.9175.9-169.70000111.1S1033 R1034 H1039 W1040S1033-C1036 WeakPolarHBondContact O-CA 3.4Å; S1033-C1036 VanDerWaalsContact O-CB 3.26Å; S1033-C1036 WeakPolarHBondContact O-CB 3.35Å; S1033-C1036 PolarHBondContact O-N 2.91Å; S1033-C1036 WeakPolarHBondContact OG-CB 3.46Å; R1034-C1036 VanDerWaalsContact C-N 3.32Å; R1034-C1036 PolarHBondContact O-N 3.09Å; C1036-H1039 PolarHBondContact O-N 2.88Å; C1036-W1040 PolarHBondContact O-N 2.88Å
1037V86.9Confident80.8Confident0 Ų054.7 Ų54.70%030%0.303CS..Hα-helixtrans-64.6-40.9176-173.80000111.2L1029 L1032 S1033 R1034 W1040 V1041 F1055 L1062L1029-V1037 HydrophobicContact CD1-CG1 4.44Å; L1029-V1037 HydrophobicContact CD1-CG2 4.33Å; L1032-V1037 HydrophobicContact CB-CG2 3.84Å; S1033-V1037 PolarHBondContact O-N 3.31Å; R1034-V1037 PolarHBondContact O-N 3.17Å; V1037-W1040 PolarHBondContact O-N 2.81Å; V1037-V1041 VanDerWaalsContact O-CG2 3.32Å; V1037-V1041 WeakPolarHBondContact O-CG2 3.32Å; V1037-V1041 PolarHBondContact O-N 3.16Å; V1037-F1055 HydrophobicContact CG1-CE1 3.87Å; V1037-F1055 HydrophobicContact CG1-CZ 4.04Å; V1037-L1062 HydrophobicContact CG1-CD1 3.87Å; V1037-L1062 HydrophobicContact CG1-CD2 4.45Å; V1037-L1062 HydrophobicContact CG1-CG 4.45Å
1038H89Confident82.4Confident70 Ų7056.6 Ų56.632%0.32432%0.316SS..Hα-helixtrans-58.8-46.3171.8-88.1-97.2000111.8R1034 P1035 W1040 V1041 D1042 F1055R1034-H1038 PolarHBondContact O-CD2 2.85Å; R1034-H1038 VanDerWaalsContact O-CD2 3.3Å; R1034-H1038 PolarHBondContact O-N 2.99Å; P1035-H1038 PolarHBondContact O-N 3.06Å; H1038-W1040 VanDerWaalsContact C-N 3.33Å; H1038-W1040 PolarHBondContact O-N 2.84Å; H1038-V1041 CarbonylContact O-C 3.57Å; H1038-V1041 WeakPolarHBondContact O-CA 3.31Å; H1038-V1041 WeakPolarHBondContact O-CB 3.47Å; H1038-V1041 PolarHBondContact O-N 3.24Å; H1038-D1042 PolarHBondContact O-N 3.31Å; H1038-F1055 HydrophobicContact CB-CZ 4.41Å; H1038-F1055 AromaticContact CD2-CE2 3.79Å; H1038-F1055 AromaticContact CD2-CZ 3.43Å; H1038-F1055 VanDerWaalsContact CD2-CZ 3.43Å; H1038-F1055 WeakPolarHBondContact CD2-CZ 3.24Å; H1038-F1055 AromaticContact CE1-CD2 3.96Å; H1038-F1055 AromaticContact CE1-CE2 3.45Å; H1038-F1055 VanDerWaalsContact CE1-CE2 3.45Å; H1038-F1055 WeakPolarHBondContact CE1-CE2 3.29Å; H1038-F1055 AromaticContact CE1-CZ 3.9Å; H1038-F1055 AromaticContact CG-CE2 3.76Å; H1038-F1055 AromaticContact CG-CZ 3.69Å; H1038-F1055 AromaticContact ND1-CE2 3.54Å; H1038-F1055 AromaticContact ND1-CZ 3.97Å; H1038-F1055 AromaticContact NE2-CE2 3.63Å; H1038-F1055 AromaticContact NE2-CZ 3.61Å
1039H89.5Confident83.6Confident106 Ų10655.4 Ų55.449%0.49131%0.309SS..Hα-helixtrans-60.6-39.1177.8-178.451.7000113P1035 C1036 D1042 I1043P1035-H1039 PolarHBondContact O-N 3.11Å; C1036-H1039 PolarHBondContact O-N 2.88Å; H1039-D1042 PolarHBondContact O-N 2.8Å; H1039-I1043 WeakPolarHBondContact O-CG1 3.24Å; H1039-I1043 PolarHBondContact O-N 3.38Å
1040W90.6Very high84.6Confident24 Ų2457.5 Ų57.59%0.09133%0.333CS..Hα-helixtrans-66.4-37.7172.8-64-9000112.4L1026 L1032 C1036 V1037 H1038 D1042 I1043 F1044 L1190 V1193 R1194L1026-W1040 HydrophobicContact CD2-CZ3 4.26Å; L1032-W1040 HydrophobicContact CD1-CH2 3.62Å; L1032-W1040 HydrophobicContact CD1-CZ3 3.5Å; L1032-W1040 VanDerWaalsContact CD1-CZ3 3.5Å; L1032-W1040 HydrophobicContact CD2-CH2 3.75Å; L1032-W1040 HydrophobicContact CD2-CZ2 4.42Å; L1032-W1040 HydrophobicContact CD2-CZ3 4.43Å; L1032-W1040 HydrophobicContact CG-CH2 4.35Å; C1036-W1040 PolarHBondContact O-N 2.88Å; V1037-W1040 PolarHBondContact O-N 2.81Å; H1038-W1040 VanDerWaalsContact C-N 3.33Å; H1038-W1040 PolarHBondContact O-N 2.84Å; W1040-D1042 VanDerWaalsContact C-N 3.32Å; W1040-D1042 PolarHBondContact O-N 2.75Å; W1040-I1043 PolarHBondContact O-N 2.88Å; W1040-F1044 WeakPolarHBondContact O-CB 3.28Å; W1040-F1044 PolarHBondContact O-N 3.02Å; W1040-L1190 HydrophobicContact CB-CD2 4.34Å; W1040-L1190 HydrophobicContact CE3-CD2 4.33Å; W1040-V1193 HydrophobicContact CB-CG1 3.68Å; W1040-V1193 HydrophobicContact CG-CG1 3.98Å; W1040-R1194 HydrophobicContact CH2-CB 4.16Å; W1040-R1194 HydrophobicContact CH2-CG 3.85Å; W1040-R1194 HydrophobicContact CZ2-CB 3.98Å; W1040-R1194 HydrophobicContact CZ2-CG 3.59Å
1041V92.2Very high86.1Confident6 Ų652.2 Ų52.24%0.03631%0.305CS..Hα-helixtrans-62.4-39.2173.2167.20000111.3V1037 H1038 F1044 N1045 L1053 F1055 L1062V1037-V1041 VanDerWaalsContact O-CG2 3.32Å; V1037-V1041 WeakPolarHBondContact O-CG2 3.32Å; V1037-V1041 PolarHBondContact O-N 3.16Å; H1038-V1041 CarbonylContact O-C 3.57Å; H1038-V1041 WeakPolarHBondContact O-CA 3.31Å; H1038-V1041 WeakPolarHBondContact O-CB 3.47Å; H1038-V1041 PolarHBondContact O-N 3.24Å; V1041-F1044 PolarHBondContact O-N 2.92Å; V1041-N1045 VanDerWaalsContact CG1-ND2 3.31Å; V1041-N1045 WeakPolarHBondContact CG1-ND2 3.37Å; V1041-N1045 VanDerWaalsContact O-CB 3.23Å; V1041-N1045 WeakPolarHBondContact O-CB 3.5Å; V1041-N1045 PolarHBondContact O-N 3.06Å; V1041-N1045 PolarHBondContact O-ND2 3.4Å; V1041-L1053 VanDerWaalsContact CG1-O 3.29Å; V1041-L1053 WeakPolarHBondContact CG1-O 3.04Å; V1041-L1053 HydrophobicContact CG2-CD2 3.96Å; V1041-L1053 HydrophobicContact CG2-CG 4.11Å; V1041-F1055 HydrophobicContact CB-CE2 4.17Å; V1041-F1055 HydrophobicContact CB-CZ 4.46Å; V1041-F1055 HydrophobicContact CG1-CE2 4.12Å; V1041-F1055 HydrophobicContact CG2-CE2 3.9Å; V1041-F1055 HydrophobicContact CG2-CZ 3.88Å; V1041-L1062 HydrophobicContact CG2-CD1 4.23Å; V1041-L1062 HydrophobicContact CG2-CD2 3.6Å
1042D92.2Very high87.4Confident91 Ų9153.3 Ų53.349%0.48730%0.298SS..Hα-helixtrans-68.3-43.8176.8-64.5-32.6000112.3H1038 H1039 W1040 F1044 N1045 S1046H1038-D1042 PolarHBondContact O-N 3.31Å; H1039-D1042 PolarHBondContact O-N 2.8Å; W1040-D1042 VanDerWaalsContact C-N 3.32Å; W1040-D1042 PolarHBondContact O-N 2.75Å; D1042-F1044 VanDerWaalsContact C-N 3.33Å; D1042-F1044 PolarHBondContact O-N 3.35Å; D1042-N1045 PolarHBondContact O-N 3.27Å; D1042-S1046 WeakPolarHBondContact O-CB 3.44Å; D1042-S1046 PolarHBondContact O-N 3.48Å; D1042-S1046 VanDerWaalsContact O-N 3.09Å; D1042-S1046 PolarHBondContact O-OG 3.48Å
1043I92.1Very high88.6Confident13 Ų1351.7 Ų51.77%0.06729%0.289CS..Hα-helixtrans-59-46.6172.8-68.6168.9000110.1H1039 W1040 S1046 V1193 F1202H1039-I1043 WeakPolarHBondContact O-CG1 3.24Å; H1039-I1043 PolarHBondContact O-N 3.38Å; W1040-I1043 PolarHBondContact O-N 2.88Å; I1043-S1046 PolarHBondContact O-N 3.43Å; I1043-V1193 HydrophobicContact CB-CG1 3.99Å; I1043-V1193 HydrophobicContact CG2-CG1 3.9Å; I1043-F1202 HydrophobicContact CG2-CB 3.96Å; I1043-F1202 HydrophobicContact CG2-CD1 4.16Å; I1043-F1202 HydrophobicContact CG2-CG 4.15Å
1044F93.3Very high89.3Confident1 Ų151.9 Ų51.90%0.00428%0.284CS..Hα-helixtrans-58.9-52.2177.1-172.4-77000111.2W1040 V1041 D1042 S1046 N1047 L1051 L1053 L1189 V1193 F1202W1040-F1044 WeakPolarHBondContact O-CB 3.28Å; W1040-F1044 PolarHBondContact O-N 3.02Å; V1041-F1044 PolarHBondContact O-N 2.92Å; D1042-F1044 VanDerWaalsContact C-N 3.33Å; D1042-F1044 PolarHBondContact O-N 3.35Å; F1044-S1046 PolarHBondContact O-N 3.24Å; F1044-S1046 VanDerWaalsContact O-N 3.1Å; F1044-N1047 PolarHBondContact O-N 3.25Å; F1044-N1047 PolarHBondContact O-ND2 2.71Å; F1044-L1051 HydrophobicContact CE1-CB 3.8Å; F1044-L1051 HydrophobicContact CZ-CB 4.05Å; F1044-L1053 HydrophobicContact CB-CB 4.38Å; F1044-L1053 HydrophobicContact CB-CD2 4.09Å; F1044-L1053 HydrophobicContact CD1-CB 3.4Å; F1044-L1053 HydrophobicContact CD1-CD2 4.28Å; F1044-L1053 HydrophobicContact CD1-CG 4.47Å; F1044-L1053 HydrophobicContact CD2-CD2 4.03Å; F1044-L1053 HydrophobicContact CE1-CB 3.72Å; F1044-L1053 HydrophobicContact CG-CB 3.87Å; F1044-L1053 HydrophobicContact CG-CD2 3.88Å; F1044-L1053 HydrophobicContact CZ-CB 4.41Å; F1044-L1189 HydrophobicContact CE2-CB 4.19Å; F1044-L1189 HydrophobicContact CE2-CD2 3.92Å; F1044-L1189 HydrophobicContact CZ-CD2 4.31Å; F1044-V1193 HydrophobicContact CB-CG2 4.19Å; F1044-V1193 HydrophobicContact CD2-CG2 4.04Å; F1044-F1202 HydrophobicContact CD2-CE1 4.37Å; F1044-F1202 AromaticContact CD2-CZ 3.82Å; F1044-F1202 HydrophobicContact CD2-CZ 3.82Å; F1044-F1202 HydrophobicContact CE2-CZ 4.29Å; F1044-F1202 HydrophobicContact CG-CZ 4.39Å
1045N93.5Very high89.8Confident32 Ų3249.9 Ų49.917%0.17128%0.278CS..Hα-helixtrans-66.4-9.4-177.9-80.9-36.8000114.1V1041 D1042 N1047 R1052 L1053V1041-N1045 VanDerWaalsContact CG1-ND2 3.31Å; V1041-N1045 WeakPolarHBondContact CG1-ND2 3.37Å; V1041-N1045 VanDerWaalsContact O-CB 3.23Å; V1041-N1045 WeakPolarHBondContact O-CB 3.5Å; V1041-N1045 PolarHBondContact O-N 3.06Å; V1041-N1045 PolarHBondContact O-ND2 3.4Å; D1042-N1045 PolarHBondContact O-N 3.27Å; N1045-N1047 VanDerWaalsContact C-N 3.28Å; N1045-N1047 PolarHBondContact O-N 3.45Å; N1045-R1052 PolarHBondContact O-NH1 2.81Å; N1045-R1052 VanDerWaalsContact OD1-CA 3.31Å; N1045-R1052 WeakPolarHBondContact OD1-CA 3.42Å; N1045-R1052 WeakPolarHBondContact OD1-CD 3.5Å; N1045-L1053 PolarHBondContact ND2-O 3.34Å; N1045-L1053 PolarHBondContact OD1-N 3.38Å; N1045-L1053 PolarHBondContact OD1-O 2.6Å
1046S89.9Confident89.9Confident57 Ų5748.8 Ų48.840%0.39927%0.269SS..THydrogen-bonded Turntrans-85.99.8177.6-61.50000114.1D1042 I1043 F1044D1042-S1046 WeakPolarHBondContact O-CB 3.44Å; D1042-S1046 PolarHBondContact O-N 3.48Å; D1042-S1046 VanDerWaalsContact O-N 3.09Å; D1042-S1046 PolarHBondContact O-OG 3.48Å; I1043-S1046 PolarHBondContact O-N 3.43Å; F1044-S1046 PolarHBondContact O-N 3.24Å; F1044-S1046 VanDerWaalsContact O-N 3.1Å
1047N89.4Confident89.8Confident9 Ų949.4 Ų49.45%0.04827%0.27CS..  trans-81.8147.2177.181.191.9000113.2F1044 N1045 L1049 G1050 L1051 F1202 L1203 L1206F1044-N1047 PolarHBondContact O-N 3.25Å; F1044-N1047 PolarHBondContact O-ND2 2.71Å; N1045-N1047 VanDerWaalsContact C-N 3.28Å; N1045-N1047 PolarHBondContact O-N 3.45Å; N1047-L1049 WeakPolarHBondContact OD1-CA 3.48Å; N1047-L1049 WeakPolarHBondContact OD1-CB 3.49Å; N1047-L1049 PolarHBondContact OD1-N 2.93Å; N1047-G1050 PolarHBondContact OD1-N 3.45Å; N1047-L1051 PolarHBondContact ND2-O 3.26Å; N1047-L1051 PolarHBondContact OD1-N 3.24Å; N1047-L1051 VanDerWaalsContact OD1-N 3.15Å; N1047-F1202 HydrophobicContact CB-CE1 4.48Å; N1047-L1203 HydrophobicContact CB-CD2 4.01Å; N1047-L1206 HydrophobicContact CB-CD1 4.18Å
1048P86.4Confident89.2Confident103 Ų10355.3 Ų55.367%0.66930%0.301SS*.SBendtrans-85.6-4.3176.536.2-36000113.5G1050 L1203P1048-G1050 PolarHBondContact O-N 3.41Å; P1048-L1203 HydrophobicContact CG-CD2 4.28Å
1049L84.9Confident88.3Confident77 Ų7755.3 Ų55.340%0.40331%0.309SS..SBendtrans-81.18.6-174.4-54.1-178.7000113.5N1047 L1051 L1206N1047-L1049 WeakPolarHBondContact OD1-CA 3.48Å; N1047-L1049 WeakPolarHBondContact OD1-CB 3.49Å; N1047-L1049 PolarHBondContact OD1-N 2.93Å; L1049-L1051 VanDerWaalsContact C-N 3.25Å; L1049-L1051 HydrophobicContact CB-CG 4.34Å; L1049-L1051 PolarHBondContact O-N 2.83Å; L1049-L1206 HydrophobicContact CD1-CB 4.39Å; L1049-L1206 HydrophobicContact CD1-CD1 4.29Å
1050G84.4Confident87.4Confident56 Ų5651 Ų5158%0.57729%0.291SS*.  trans74.86.6-177.900000114.6N1047 P1048N1047-G1050 PolarHBondContact OD1-N 3.45Å; P1048-G1050 PolarHBondContact O-N 3.41Å
1051L91.6Very high87Confident6 Ų654.2 Ų54.23%0.03130%0.303CS..  trans-75.3135.8-179.2-53.5177.6000110.3F1044 N1047 L1049 T1065 R1067 V1133F1044-L1051 HydrophobicContact CE1-CB 3.8Å; F1044-L1051 HydrophobicContact CZ-CB 4.05Å; N1047-L1051 PolarHBondContact ND2-O 3.26Å; N1047-L1051 PolarHBondContact OD1-N 3.24Å; N1047-L1051 VanDerWaalsContact OD1-N 3.15Å; L1049-L1051 VanDerWaalsContact C-N 3.25Å; L1049-L1051 HydrophobicContact CB-CG 4.34Å; L1049-L1051 PolarHBondContact O-N 2.83Å; L1051-T1065 VanDerWaalsContact CA-OG1 3.25Å; L1051-T1065 WeakPolarHBondContact CA-OG1 3.38Å; L1051-R1067 HydrophobicContact CD2-CB 4.2Å; L1051-V1133 HydrophobicContact CD2-CG1 4.45Å
1052R92.8Very high86.9Confident129 Ų12954 Ų5449%0.48730%0.302SS..  trans-126147.8177.6-65.8-65.3176.7-162.2-8.9112N1045 G1064 T1065N1045-R1052 PolarHBondContact O-NH1 2.81Å; N1045-R1052 VanDerWaalsContact OD1-CA 3.31Å; N1045-R1052 WeakPolarHBondContact OD1-CA 3.42Å; N1045-R1052 WeakPolarHBondContact OD1-CD 3.5Å; R1052-G1064 CarbonylContact O-C 3.56Å; R1052-G1064 WeakPolarHBondContact O-CA 3.42Å; R1052-T1065 PolarHBondContact N-OG1 3.46Å; R1052-T1065 PolarHBondContact O-N 2.97Å; R1052-T1065 PolarHBondContact O-OG1 3.4Å
1053L93.9Very high87Confident0 Ų049.7 Ų49.70%028%0.279CS..EExtended strand (participates in β ladder)trans-136.7125.2176.4-17462.3000108.6V1041 F1044 N1045 L1062 L1186 L1190V1041-L1053 VanDerWaalsContact CG1-O 3.29Å; V1041-L1053 WeakPolarHBondContact CG1-O 3.04Å; V1041-L1053 HydrophobicContact CG2-CD2 3.96Å; V1041-L1053 HydrophobicContact CG2-CG 4.11Å; F1044-L1053 HydrophobicContact CB-CB 4.38Å; F1044-L1053 HydrophobicContact CB-CD2 4.09Å; F1044-L1053 HydrophobicContact CD1-CB 3.4Å; F1044-L1053 HydrophobicContact CD1-CD2 4.28Å; F1044-L1053 HydrophobicContact CD1-CG 4.47Å; F1044-L1053 HydrophobicContact CD2-CD2 4.03Å; F1044-L1053 HydrophobicContact CE1-CB 3.72Å; F1044-L1053 HydrophobicContact CG-CB 3.87Å; F1044-L1053 HydrophobicContact CG-CD2 3.88Å; F1044-L1053 HydrophobicContact CZ-CB 4.41Å; N1045-L1053 PolarHBondContact ND2-O 3.34Å; N1045-L1053 PolarHBondContact OD1-N 3.38Å; N1045-L1053 PolarHBondContact OD1-O 2.6Å; L1053-L1062 HydrophobicContact CD1-CB 4Å; L1053-L1062 HydrophobicContact CD2-CD1 4.34Å; L1053-L1062 HydrophobicContact CG-CD2 4.5Å; L1053-L1186 HydrophobicContact CD1-CD1 4.11Å; L1053-L1186 HydrophobicContact CD1-CD2 3.85Å; L1053-L1186 HydrophobicContact CD1-CG 4.21Å; L1053-L1190 HydrophobicContact CD2-CD2 3.91Å; L1053-L1190 HydrophobicContact CD2-CG 4.32Å
1054N92.8Very high87.1Confident81 Ų8149 Ų4943%0.43328%0.276SS..EExtended strand (participates in β ladder)trans-128.4156.8-173.1-64-15.5000109.8L1062 A1063N1054-L1062 WeakPolarHBondContact O-CA 3.31Å; N1054-A1063 PolarHBondContact N-O 2.96Å; N1054-A1063 PolarHBondContact O-N 3.14Å; N1054-A1063 VanDerWaalsContact O-O 3.13Å
1055F90.7Very high87.1Confident51 Ų5150.3 Ų50.322%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-78.3135164.5-64-89.4000109.4V1037 H1038 V1041 L1062V1037-F1055 HydrophobicContact CG1-CE1 3.87Å; V1037-F1055 HydrophobicContact CG1-CZ 4.04Å; H1038-F1055 HydrophobicContact CB-CZ 4.41Å; H1038-F1055 AromaticContact CD2-CE2 3.79Å; H1038-F1055 AromaticContact CD2-CZ 3.43Å; H1038-F1055 VanDerWaalsContact CD2-CZ 3.43Å; H1038-F1055 WeakPolarHBondContact CD2-CZ 3.24Å; H1038-F1055 AromaticContact CE1-CD2 3.96Å; H1038-F1055 AromaticContact CE1-CE2 3.45Å; H1038-F1055 VanDerWaalsContact CE1-CE2 3.45Å; H1038-F1055 WeakPolarHBondContact CE1-CE2 3.29Å; H1038-F1055 AromaticContact CE1-CZ 3.9Å; H1038-F1055 AromaticContact CG-CE2 3.76Å; H1038-F1055 AromaticContact CG-CZ 3.69Å; H1038-F1055 AromaticContact ND1-CE2 3.54Å; H1038-F1055 AromaticContact ND1-CZ 3.97Å; H1038-F1055 AromaticContact NE2-CE2 3.63Å; H1038-F1055 AromaticContact NE2-CZ 3.61Å; V1041-F1055 HydrophobicContact CB-CE2 4.17Å; V1041-F1055 HydrophobicContact CB-CZ 4.46Å; V1041-F1055 HydrophobicContact CG1-CE2 4.12Å; V1041-F1055 HydrophobicContact CG2-CE2 3.9Å; V1041-F1055 HydrophobicContact CG2-CZ 3.88Å; F1055-L1062 HydrophobicContact CD1-CD2 3.59Å; F1055-L1062 HydrophobicContact CD2-CD2 4.34Å; F1055-L1062 HydrophobicContact CE1-CD2 3.6Å; F1055-L1062 HydrophobicContact CE2-CD2 4.33Å; F1055-L1062 HydrophobicContact CG-CD2 3.98Å; F1055-L1062 HydrophobicContact CZ-CD2 3.98Å
1056V86.9Confident87Confident74 Ų7448.9 Ų48.945%0.44828%0.276SS..SBendtrans-82.6-36.4175.4179.10000110.8R1061 A1063V1056-R1061 HydrophobicContact CB-CB 4.42Å; V1056-R1061 WeakPolarHBondContact CB-O 3.44Å; V1056-R1061 PolarHBondContact N-O 2.9Å; V1056-A1063 HydrophobicContact CG2-CB 3.36Å
1057D82.1Confident87.1Confident51 Ų5149.7 Ų49.727%0.27327%0.27SS..SBendtrans-159.7175.5-172.255.159.9000109.9S1059 R1061D1057-S1059 PolarHBondContact O-N 2.84Å; D1057-S1059 WeakPolarHBondContact OD1-CA 3.34Å; D1057-S1059 WeakPolarHBondContact OD1-CB 3.36Å; D1057-S1059 PolarHBondContact OD1-N 3.2Å; D1057-S1059 PolarHBondContact OD1-OG 3.06Å; D1057-R1061 WeakPolarHBondContact OD2-CD 3.23Å; D1057-R1061 IonicContact OD2-CZ 3.7Å; D1057-R1061 IonicContact OD2-NE 3.96Å; D1057-R1061 IonicContact OD2-NH1 2.97Å; D1057-R1061 PolarHBondContact OD2-NH1 2.83Å
1058D75.2Confident87.3Confident124 Ų12449.2 Ų49.266%0.66327%0.268SS*.THydrogen-bonded Turntrans-71.3-6.3179.3-82.2-61.3000115.3R1034 C1060R1034-D1058 IonicContact CZ-OD1 3.23Å; R1034-D1058 VanDerWaalsContact CZ-OD1 3.23Å; R1034-D1058 PolarHBondContact NH1-O 2.93Å; R1034-D1058 IonicContact NH1-OD1 2.79Å; R1034-D1058 PolarHBondContact NH1-OD1 2.93Å; R1034-D1058 IonicContact NH2-OD1 2.72Å; R1034-D1058 PolarHBondContact NH2-OD1 3.45Å; D1058-C1060 PolarHBondContact O-N 3.05Å
1059S70.7Confident87.6Confident71 Ų7146.2 Ų46.250%0.49724%0.243SC..THydrogen-bonded Turntrans-8929.1178.765.10000113.2D1057 R1061D1057-S1059 PolarHBondContact O-N 2.84Å; D1057-S1059 WeakPolarHBondContact OD1-CA 3.34Å; D1057-S1059 WeakPolarHBondContact OD1-CB 3.36Å; D1057-S1059 PolarHBondContact OD1-N 3.2Å; D1057-S1059 PolarHBondContact OD1-OG 3.06Å; S1059-R1061 PolarHBondContact O-N 3.32Å; S1059-R1061 WeakPolarHBondContact OG-CD 3.37Å
1060C69.7Low87.7Confident16 Ų1642.7 Ų42.711%0.10823%0.225CC..  trans5713.4-178.6-66.70000115L1029 D1058 L1062L1029-C1060 VanDerWaalsContact CD2-O 3.32Å; L1029-C1060 WeakPolarHBondContact CD2-O 3.44Å; D1058-C1060 PolarHBondContact O-N 3.05Å; C1060-L1062 PolarHBondContact O-N 3.17Å
1061R82.7Confident87.9Confident91 Ų9141.2 Ų41.234%0.34320%0.204SC..  trans-71.1123.6178.4-65.2177.262.2-106.10.1109.3V1056 D1057 S1059V1056-R1061 HydrophobicContact CB-CB 4.42Å; V1056-R1061 WeakPolarHBondContact CB-O 3.44Å; V1056-R1061 PolarHBondContact N-O 2.9Å; D1057-R1061 WeakPolarHBondContact OD2-CD 3.23Å; D1057-R1061 IonicContact OD2-CZ 3.7Å; D1057-R1061 IonicContact OD2-NE 3.96Å; D1057-R1061 IonicContact OD2-NH1 2.97Å; D1057-R1061 PolarHBondContact OD2-NH1 2.83Å; S1059-R1061 PolarHBondContact O-N 3.32Å; S1059-R1061 WeakPolarHBondContact OG-CD 3.37Å
1062L90.9Very high87.5Confident0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-100.1146.7-176.6-65.4171.2000111L1029 V1037 V1041 L1053 N1054 F1055 C1060 T1137 S1138 L1190L1029-L1062 HydrophobicContact CD2-CD1 4.08Å; L1029-L1062 HydrophobicContact CD2-CG 4.28Å; V1037-L1062 HydrophobicContact CG1-CD1 3.87Å; V1037-L1062 HydrophobicContact CG1-CD2 4.45Å; V1037-L1062 HydrophobicContact CG1-CG 4.45Å; V1041-L1062 HydrophobicContact CG2-CD1 4.23Å; V1041-L1062 HydrophobicContact CG2-CD2 3.6Å; L1053-L1062 HydrophobicContact CD1-CB 4Å; L1053-L1062 HydrophobicContact CD2-CD1 4.34Å; L1053-L1062 HydrophobicContact CG-CD2 4.5Å; N1054-L1062 WeakPolarHBondContact O-CA 3.31Å; F1055-L1062 HydrophobicContact CD1-CD2 3.59Å; F1055-L1062 HydrophobicContact CD2-CD2 4.34Å; F1055-L1062 HydrophobicContact CE1-CD2 3.6Å; F1055-L1062 HydrophobicContact CE2-CD2 4.33Å; F1055-L1062 HydrophobicContact CG-CD2 3.98Å; F1055-L1062 HydrophobicContact CZ-CD2 3.98Å; C1060-L1062 PolarHBondContact O-N 3.17Å; L1062-T1137 CarbonylContact O-C 3.5Å; L1062-T1137 WeakPolarHBondContact O-CA 3.4Å; L1062-S1138 PolarHBondContact N-OG 3.3Å; L1062-S1138 PolarHBondContact O-N 2.95Å; L1062-S1138 PolarHBondContact O-OG 3.41Å; L1062-L1190 HydrophobicContact CD1-CD1 3.61Å; L1062-L1190 HydrophobicContact CD1-CD2 4.05Å; L1062-L1190 HydrophobicContact CD1-CG 4.46Å
1063A93.6Very high86.9Confident1 Ų139.3 Ų39.31%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-141.7146.3166.800000110.4N1054 V1056 Y1135 V1136 T1137N1054-A1063 PolarHBondContact N-O 2.96Å; N1054-A1063 PolarHBondContact O-N 3.14Å; N1054-A1063 VanDerWaalsContact O-O 3.13Å; V1056-A1063 HydrophobicContact CG2-CB 3.36Å; A1063-Y1135 HydrophobicContact CB-CE1 3.91Å; A1063-Y1135 WeakPolarHBondContact CB-OH 3.49Å; A1063-V1136 CarbonylContact C-O 3.56Å; A1063-V1136 VanDerWaalsContact CA-O 3.27Å; A1063-V1136 WeakPolarHBondContact CA-O 3.37Å; A1063-T1137 HydrophobicContact CB-CG2 4.1Å
1064G93.2Very high86.3Confident0 Ų044.1 Ų44.10%022%0.223CC..EExtended strand (participates in β ladder)trans-171.1175.2-170.800000113.3R1052 Y1135 V1136R1052-G1064 CarbonylContact O-C 3.56Å; R1052-G1064 WeakPolarHBondContact O-CA 3.42Å; G1064-Y1135 WeakPolarHBondContact O-CA 3Å; G1064-V1136 PolarHBondContact N-O 2.87Å; G1064-V1136 PolarHBondContact O-N 3.36Å
1065T93.5Very high85.8Confident28 Ų2842.5 Ų42.517%0.17222%0.217CC..EExtended strand (participates in β ladder)trans-90.6125.1179.658.60000110.8L1051 R1052 V1133 V1134 Y1135L1051-T1065 VanDerWaalsContact CA-OG1 3.25Å; L1051-T1065 WeakPolarHBondContact CA-OG1 3.38Å; R1052-T1065 PolarHBondContact N-OG1 3.46Å; R1052-T1065 PolarHBondContact O-N 2.97Å; R1052-T1065 PolarHBondContact O-OG1 3.4Å; T1065-V1133 HydrophobicContact CG2-CG1 4.01Å; T1065-V1134 CarbonylContact C-O 3.44Å; T1065-V1134 VanDerWaalsContact CA-O 3.31Å; T1065-V1134 WeakPolarHBondContact CA-O 3.37Å; T1065-Y1135 HydrophobicContact CG2-CD2 4.11Å
1066L92.2Very high85.5Confident2 Ų240.1 Ų40.11%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-110.8132.9172.6167.264.1000109.3I1068 V1133 V1134 V1136 P1185 L1189 I1211L1066-I1068 HydrophobicContact CD2-CD1 3.92Å; L1066-I1068 HydrophobicContact CD2-CG1 3.84Å; L1066-I1068 HydrophobicContact CG-CD1 4.41Å; L1066-I1068 HydrophobicContact CG-CG1 3.87Å; L1066-V1133 CarbonylContact O-C 3.6Å; L1066-V1133 WeakPolarHBondContact O-CA 3.5Å; L1066-V1134 HydrophobicContact CB-CG2 4.23Å; L1066-V1134 PolarHBondContact N-O 2.79Å; L1066-V1134 WeakPolarHBondContact O-CG2 3.43Å; L1066-V1134 PolarHBondContact O-N 3.11Å; L1066-V1136 HydrophobicContact CB-CG2 4.01Å; L1066-P1185 HydrophobicContact CD2-CB 3.73Å; L1066-P1185 HydrophobicContact CD2-CG 3.91Å; L1066-L1189 HydrophobicContact CD1-CD1 3.73Å; L1066-L1189 HydrophobicContact CD1-CD2 3.54Å; L1066-L1189 HydrophobicContact CD1-CG 4.3Å; L1066-I1211 HydrophobicContact CD1-CD1 4.01Å; L1066-I1211 HydrophobicContact CD2-CD1 4.34Å
1067R92.6Very high85.4Confident73 Ų7341.7 Ų41.728%0.27521%0.207SC..EExtended strand (participates in β ladder)trans-88.4118.5168-173.7179.9-67.2-116.410.3109.8L1051 Y1069 S1131 K1132 V1133L1051-R1067 HydrophobicContact CD2-CB 4.2Å; R1067-Y1069 HydrophobicContact CG-CE2 4.2Å; R1067-S1131 PolarHBondContact NH1-OG 3.3Å; R1067-S1131 VanDerWaalsContact NH1-OG 3.11Å; R1067-K1132 WeakPolarHBondContact CA-O 3.21Å; R1067-V1133 HydrophobicContact CB-CG2 4.38Å; R1067-V1133 HydrophobicContact CG-CG2 4.49Å
1068I92.9Very high85.2Confident0 Ų041.1 Ų41.10%020%0.204CC..EExtended strand (participates in β ladder)trans-106.7124.6172.2-59.7177.7000107.9L1066 S1131 K1132 V1134 L1149 L1164 I1211 L1213L1066-I1068 HydrophobicContact CD2-CD1 3.92Å; L1066-I1068 HydrophobicContact CD2-CG1 3.84Å; L1066-I1068 HydrophobicContact CG-CD1 4.41Å; L1066-I1068 HydrophobicContact CG-CG1 3.87Å; I1068-S1131 CarbonylContact O-C 3.56Å; I1068-S1131 VanDerWaalsContact O-CA 3.29Å; I1068-S1131 WeakPolarHBondContact O-CA 3.34Å; I1068-S1131 WeakPolarHBondContact O-CB 3.3Å; I1068-K1132 PolarHBondContact N-O 3Å; I1068-K1132 PolarHBondContact O-N 3.38Å; I1068-V1134 HydrophobicContact CD1-CG2 3.78Å; I1068-V1134 HydrophobicContact CG1-CG2 4.22Å; I1068-L1149 HydrophobicContact CB-CD1 4.25Å; I1068-L1149 HydrophobicContact CD1-CD1 3.76Å; I1068-L1149 HydrophobicContact CG2-CD1 3.95Å; I1068-L1164 HydrophobicContact CD1-CD1 4.47Å; I1068-L1164 HydrophobicContact CD1-CD2 4.24Å; I1068-L1164 HydrophobicContact CG2-CD2 3.94Å; I1068-I1211 HydrophobicContact CG1-CG2 4.27Å; I1068-L1213 HydrophobicContact CG2-CB 3.95Å
1069Y91.6Very high85.1Confident40 Ų4036.3 Ų36.316%0.15718%0.18CC..EExtended strand (participates in β ladder)trans-83.8148.1171.7-64.5-95.8000109.5R1067 R1210 I1211 V1212 L1213R1067-Y1069 HydrophobicContact CG-CE2 4.2Å; Y1069-R1210 HydrophobicContact CD2-CB 3.82Å; Y1069-R1210 HydrophobicContact CD2-CG 4.1Å; Y1069-R1210 HydrophobicContact CE2-CB 3.91Å; Y1069-R1210 HydrophobicContact CE2-CG 3.71Å; Y1069-I1211 PolarHBondContact N-O 3.02Å; Y1069-V1212 CarbonylContact O-C 3.51Å; Y1069-V1212 WeakPolarHBondContact O-CA 3.44Å; Y1069-L1213 PolarHBondContact O-N 2.75Å
1070I88.7Confident84.7Confident2 Ų236.6 Ų36.61%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-120.9118-173.3-55173.4000109L1072 L1126 G1129 T1130 K1132 F1153 L1213I1070-L1072 HydrophobicContact CG2-CD1 4.2Å; I1070-L1072 HydrophobicContact CG2-CG 3.83Å; I1070-L1126 HydrophobicContact CD1-CD2 4.23Å; I1070-L1126 HydrophobicContact CG2-CD2 3.9Å; I1070-G1129 PolarHBondContact O-N 2.87Å; I1070-T1130 PolarHBondContact N-O 3.01Å; I1070-K1132 HydrophobicContact CD1-CG 4.29Å; I1070-F1153 HydrophobicContact CD1-CE2 3.58Å; I1070-F1153 HydrophobicContact CD1-CZ 3.79Å; I1070-L1213 HydrophobicContact CG2-CD2 4.48Å
1071N87.1Confident83.8Confident26 Ų2641.5 Ų41.514%0.13919%0.192CC..EExtended strand (participates in β ladder)trans-128.572179.3-177.140000109.6V1212 L1213 Q1214N1071-V1212 HydrophobicContact CB-CG1 3.91Å; N1071-L1213 PolarHBondContact N-O 3.4Å; N1071-Q1214 HydrophobicContact CB-CG 4.28Å
1072L84.6Confident82.2Confident7 Ų745.5 Ų45.54%0.03721%0.207CC..  trans-91.8134.8172-55-176.2000109.2I1070 V1076 F1162 E1215I1070-L1072 HydrophobicContact CG2-CD1 4.2Å; I1070-L1072 HydrophobicContact CG2-CG 3.83Å; L1072-V1076 HydrophobicContact CD1-CG1 3.91Å; L1072-V1076 HydrophobicContact CD1-CG2 4.08Å; L1072-F1162 HydrophobicContact CD1-CE1 4.01Å; L1072-F1162 HydrophobicContact CD2-CD1 3.64Å; L1072-F1162 HydrophobicContact CD2-CE1 3.71Å; L1072-E1215 HydrophobicContact CD2-CG 4.13Å
1073I79.7Confident79.9Confident88 Ų8850.2 Ų50.245%0.45124%0.235SC..  trans-103.7-41.7-173.1-74.7176.4000110.6E1215I1073-E1215 PolarHBondContact N-OE1 2.62Å
1074K81.9Confident77.5Confident101 Ų10156.4 Ų56.444%0.43927%0.268SS..SBendtrans-87153.7175.9-51.8-175.7-160.872.70109.5E1215 D1217K1074-E1215 WeakPolarHBondContact CB-OE1 3.38Å; K1074-E1215 WeakPolarHBondContact CD-OE2 3.12Å; K1074-E1215 WeakPolarHBondContact CE-OE2 3.26Å; K1074-E1215 WeakPolarHBondContact CG-OE1 3.31Å; K1074-E1215 VanDerWaalsContact CG-OE2 3.26Å; K1074-E1215 WeakPolarHBondContact CG-OE2 3.43Å; K1074-E1215 PolarHBondContact N-OE1 2.82Å; K1074-E1215 IonicContact NZ-OE1 3.27Å; K1074-E1215 IonicContact NZ-OE2 3.14Å; K1074-E1215 PolarHBondContact NZ-OE2 2.82Å; K1074-D1217 IonicContact NZ-OD1 2.84Å
1075P82.4Confident75.2Confident47 Ų4762.1 Ų62.131%0.30530%0.298SS..  trans-68.3148176.630.2-34000110.7F1124 F1125P1075-F1124 CarbonylContact C-O 3.53Å; P1075-F1124 VanDerWaalsContact CA-O 3.31Å; P1075-F1124 WeakPolarHBondContact CA-O 3.45Å; P1075-F1125 HydrophobicContact CB-CD1 4.12Å; P1075-F1125 HydrophobicContact CB-CD2 4.14Å; P1075-F1125 HydrophobicContact CB-CE1 3.98Å; P1075-F1125 HydrophobicContact CB-CE2 3.99Å; P1075-F1125 HydrophobicContact CB-CG 4.2Å; P1075-F1125 HydrophobicContact CB-CZ 3.91Å; P1075-F1125 HydrophobicContact CG-CE1 4.14Å; P1075-F1125 HydrophobicContact CG-CE2 4.31Å; P1075-F1125 HydrophobicContact CG-CZ 3.89Å
1076V83.9Confident72.5Confident1 Ų167.7 Ų67.71%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-106.5134.6179.7-1020000110.7L1072 M1078 S1123 F1124 L1126 I1155 E1157 F1162L1072-V1076 HydrophobicContact CD1-CG1 3.91Å; L1072-V1076 HydrophobicContact CD1-CG2 4.08Å; V1076-M1078 PolarHBondContact O-N 3.27Å; V1076-S1123 WeakPolarHBondContact O-CA 3.38Å; V1076-F1124 PolarHBondContact N-O 3.04Å; V1076-F1124 PolarHBondContact O-N 3.36Å; V1076-L1126 HydrophobicContact CG2-CD1 4Å; V1076-I1155 HydrophobicContact CB-CD1 4.43Å; V1076-I1155 HydrophobicContact CB-CG1 4.37Å; V1076-I1155 HydrophobicContact CB-CG2 4.15Å; V1076-I1155 HydrophobicContact CG1-CD1 4.4Å; V1076-I1155 HydrophobicContact CG1-CG2 3.87Å; V1076-I1155 HydrophobicContact CG2-CD1 4.37Å; V1076-E1157 WeakPolarHBondContact CA-OE1 3.42Å; V1076-F1162 HydrophobicContact CG1-CE1 4.06Å; V1076-F1162 HydrophobicContact CG1-CZ 3.76Å
1077K83.6Confident69.8Low106 Ų10674.3 Ų74.346%0.46135%0.353SS..EExtended strand (participates in β ladder)trans-73.6119173.9-65.9176.9-177.3179.30111.2I1155 Q1156 E1157K1077-I1155 WeakPolarHBondContact O-CA 3.47Å; K1077-Q1156 PolarHBondContact O-N 3.08Å; K1077-E1157 HydrophobicContact CB-CG 4.08Å; K1077-E1157 PolarHBondContact N-OE1 3.06Å
1078M78.6Confident67.1Low39 Ų3976.1 Ų76.119%0.19237%0.374CS..EExtended strand (participates in β ladder)trans-114.7151.4174.5-52.4-159.3-5900111.6V1076 V1122 F1124 L1126 F1153 H1154 I1155V1076-M1078 PolarHBondContact O-N 3.27Å; M1078-V1122 PolarHBondContact N-O 3.06Å; M1078-V1122 PolarHBondContact O-N 3.23Å; M1078-V1122 VanDerWaalsContact O-N 3.09Å; M1078-F1124 HydrophobicContact CB-CD2 3.99Å; M1078-F1124 HydrophobicContact CB-CE2 4.24Å; M1078-F1124 HydrophobicContact CE-CB 3.98Å; M1078-F1124 HydrophobicContact CE-CD2 3.36Å; M1078-F1124 HydrophobicContact CE-CE2 3.85Å; M1078-F1124 HydrophobicContact CE-CG 3.76Å; M1078-F1124 HydrophobicContact CG-CD2 4.07Å; M1078-F1124 HydrophobicContact SD-CD2 4.5Å; M1078-L1126 HydrophobicContact SD-CD1 4.38Å; M1078-F1153 VanDerWaalsContact SD-O 3.37Å; M1078-H1154 WeakPolarHBondContact CA-O 3.44Å; M1078-I1155 HydrophobicContact CG-CG1 3.93Å; M1078-I1155 HydrophobicContact SD-CG1 4.05Å
1079S73.6Confident64.2Low23 Ų2382.1 Ų82.116%0.16142%0.416CS..EExtended strand (participates in β ladder)trans-86120.7174.7-177.70000111.2R1081 P1119 H1154S1079-R1081 PolarHBondContact O-N 2.69Å; S1079-P1119 WeakPolarHBondContact OG-CB 3.5Å; S1079-H1154 PolarHBondContact N-O 2.8Å
1080L61Low61.5Low78 Ų7883.9 Ų83.941%0.40843%0.434SS..  trans-74.7-0.6179.6-107.9179.7000115.3R1082 V1122L1080-R1082 PolarHBondContact O-N 3.15Å; L1080-V1122 HydrophobicContact CD1-CB 4.45Å; L1080-V1122 HydrophobicContact CD1-CG2 3.63Å; L1080-V1122 HydrophobicContact CG-CG2 4.26Å
1081R50.8Low58.8Low119 Ų11988.8 Ų88.845%0.44948%0.475SS..THydrogen-bonded Turntrans-73.547.2-170.3-86.4-169.1170.2-115.48.3115.4S1079 T1117 P1119S1079-R1081 PolarHBondContact O-N 2.69Å; R1081-T1117 PolarHBondContact NH2-O 3.02Å; R1081-P1119 HydrophobicContact CG-CB 4.19Å
1082R49.4Very low56.2Low175 Ų17593.5 Ų93.566%0.6651%0.505SS*.THydrogen-bonded Turntrans-147.8-25.6162.3-77.1-156.5169.485.98.8115.2L1080 L1084 H1154L1080-R1082 PolarHBondContact O-N 3.15Å; R1082-L1084 VanDerWaalsContact C-N 3.34Å; R1082-L1084 PolarHBondContact O-N 3.19Å; R1082-H1154 PolarHBondContact NH1-CE1 3.33Å; R1082-H1154 PolarHBondContact NH1-NE2 2.98Å
1083T44.2Very low53.7Low98 Ų9897.3 Ų97.360%0.60154%0.538SS*.THydrogen-bonded Turntrans-75-24.2-179.1-38.50000113
1084L43.2Very low51.2Low132 Ų13297.9 Ų97.969%0.69155%0.549SS*.SBendtrans-90-30179.6-131.471.7000113.3R1082 M1086 F1087R1082-L1084 VanDerWaalsContact C-N 3.34Å; R1082-L1084 PolarHBondContact O-N 3.19Å; L1084-M1086 PolarHBondContact O-N 3.16Å; L1084-F1087 PolarHBondContact O-N 3.03Å
1085D44.3Very low48.8Very low120 Ų12098.9 Ų98.964%0.64257%0.566SS**THydrogen-bonded Turntrans-73.1-6-179.8-54.5-34.1000112.6
1086M36.3Very low46.4Very low144 Ų144104.9 Ų104.971%0.70959%0.59SS**THydrogen-bonded Turntrans-86.9-8.5170.3-157.5169.977.800113L1084 P1088L1084-M1086 PolarHBondContact O-N 3.16Å; M1086-P1088 WeakPolarHBondContact O-CD 3.36Å
1087F36.1Very low44.1Very low142 Ų142109.2 Ų109.262%0.62362%0.619SS**SBendtrans-89.9113.2165.6-73.4-86.9000109.1L1084 S1089L1084-F1087 PolarHBondContact O-N 3.03Å; F1087-S1089 PolarHBondContact O-N 3.09Å
1088P34.7Very low41.5Very low111 Ų111111.6 Ų111.672%0.72164%0.636SS**  trans-65.4103.3179.126.4-33.3000109.9M1086 S1090M1086-P1088 WeakPolarHBondContact O-CD 3.36Å; P1088-S1090 PolarHBondContact O-N 3.08Å
1089S31.7Very low39.2Very low126 Ų126115.3 Ų115.388%0.88167%0.666SS**  trans-76.658.9176.4-66.90000111.3F1087F1087-S1089 PolarHBondContact O-N 3.09Å
1090S35.4Very low37.3Very low76 Ų76119.6 Ų119.653%0.53169%0.693SS.*  trans-143.696.4173.158.20000109.2P1088 T1092P1088-S1090 PolarHBondContact O-N 3.08Å; S1090-T1092 PolarHBondContact O-N 3.37Å
1091A33Very low36.1Very low106 Ų106122.1 Ų122.188%0.87671%0.712SS**  trans-67.985.6161.200000108.4A1093A1091-A1093 PolarHBondContact O-N 3.27Å
1092T32.3Very low35.1Very low124 Ų124125.3 Ų125.376%0.76173%0.729SS**  trans-71.976.1167.651.80000108.6S1090S1090-T1092 PolarHBondContact O-N 3.37Å
1093A30.6Very low34.4Very low87 Ų87122.6 Ų122.672%0.71973%0.732SS**  trans-55.8140.5161.100000108.8A1091 P1095A1091-A1093 PolarHBondContact O-N 3.27Å; A1093-P1095 WeakPolarHBondContact O-CD 3.46Å
1094S27.7Very low33.7Very low100 Ų100124.5 Ų124.570%0.69974%0.738SS**  trans-53.9127.1-172.1-174.80000113.4E1096S1094-E1096 PolarHBondContact O-N 3.19Å
1095P32.1Very low33.2Very low123 Ų123125 Ų12580%0.79974%0.741SS**  trans-9084160.234.7-28.6000109.8A1093A1093-P1095 WeakPolarHBondContact O-CD 3.46Å
1096E31.8Very low32.7Very low173 Ų173125.7 Ų125.781%0.80875%0.745SS**  trans-73.7148.8162.2-91.1-124.1111.100110.7S1094S1094-E1096 PolarHBondContact O-N 3.19Å
1097P35.3Very low32.4Very low92 Ų92127.4 Ų127.460%0.59775%0.751SS**  trans-90.2170.1-164.834.8-36.7000115.4
1098N28.7Very low32Very low156 Ų156126.8 Ų126.883%0.83476%0.764SS**  trans91.381.6160.6-48.8-51.7000119.3
1099S30.5Very low31.7Very low116 Ų116124.9 Ų124.981%0.81177%0.765SS**  trans-155.8116.3139.460.50000111.7
1100P34.8Very low31.7Very low114 Ų114125.5 Ų125.574%0.7476%0.758SS**  trans-94.6174.6176.737.3-34.7000112.8
1101T34.2Very low31.7Very low130 Ų130131 Ų13180%0.79878%0.776SS**  trans90126172.7-45.60000114.1
1102K31Very low32.1Very low186 Ų186132.3 Ų132.381%0.80977%0.768SS**  cis-165.5160.3-9.2-124.8-176.7-175.4176.50111.3
1103V35.1Very low32.3Very low118 Ų118133.9 Ų133.972%0.71577%0.772SS**  trans72.2125.8152.1176.40000119.9
1104N29.1Very low32.8Very low138 Ų138134 Ų13474%0.73877%0.773SS**  trans-17.2153.8156-50.6-5.4000117.5
1105L31.8Very low33.7Very low143 Ų143134.8 Ų134.875%0.74977%0.773SS**  -169.1148.878.7-86.9167.7000114.1
1106N33.6Very low34.5Very low134 Ų134133.9 Ų133.972%0.71777%0.767SS**  trans75.5105.3149.8-57.3-2.4000121.9
1107E30.4Very low35.2Very low180 Ų180130.4 Ų130.484%0.84176%0.758SS**  trans4.9148.7137-57178.9123.100123.1
1108S28.4Very low36.1Very low129 Ų129130.7 Ų130.790%0.90276%0.76SS**  trans79.2127.1152.875.80000119.4
1109G27.9Very low37.4Very low72 Ų72125.3 Ų125.374%0.74273%0.733SS**  trans151.3118.9172.100000114
1110D33Very low38.9Very low138 Ų138129.7 Ų129.774%0.73873%0.732SS**  trans44.682.7159.6-57.1-17.2000120.2N1112D1110-N1112 VanDerWaalsContact C-N 3.25Å; D1110-N1112 WeakPolarHBondContact CB-ND2 3.38Å; D1110-N1112 PolarHBondContact O-N 2.86Å; D1110-N1112 PolarHBondContact O-ND2 2.77Å
1111E34.8Very low40.5Very low191 Ų191128 Ų12889%0.89372%0.717SS**  trans-58.794.4142.4-75.4-168.4135.100108.9N1113E1111-N1113 PolarHBondContact O-N 3.31Å; E1111-N1113 VanDerWaalsContact O-N 3.16Å
1112N41.3Very low42.3Very low134 Ų134124.2 Ų124.272%0.71769%0.693SS**  trans-67.3115.2-176.2-89.1-99.6000110.4D1110 A1114D1110-N1112 VanDerWaalsContact C-N 3.25Å; D1110-N1112 WeakPolarHBondContact CB-ND2 3.38Å; D1110-N1112 PolarHBondContact O-N 2.86Å; D1110-N1112 PolarHBondContact O-ND2 2.77Å; N1112-A1114 PolarHBondContact O-N 2.87Å
1113N35.5Very low44.5Very low158 Ų158118.8 Ų118.885%0.84568%0.679SS**  trans-63.581.5171.7-95.7-55.6000110.7E1111 V1115E1111-N1113 PolarHBondContact O-N 3.31Å; E1111-N1113 VanDerWaalsContact O-N 3.16Å; N1113-V1115 PolarHBondContact O-N 3.13Å
1114A41.9Very low46.5Very low89 Ų89117.1 Ų117.174%0.73666%0.662SS**  trans-69.679.5172.900000109.7N1112 P1116N1112-A1114 PolarHBondContact O-N 2.87Å; A1114-P1116 WeakPolarHBondContact O-CD 3.41Å
1115V45.8Very low48.8Very low116 Ų116117.5 Ų117.570%0.70366%0.657SS**  trans-43.5115.7175.2175.20000108.6N1113 T1117N1113-V1115 PolarHBondContact O-N 3.13Å; V1115-T1117 PolarHBondContact O-N 2.96Å
1116P49Very low50.9Low105 Ų105111.7 Ų111.768%0.68263%0.627SS**  trans-58.3109.2-172.8-27.835.4000109.9A1114A1114-P1116 WeakPolarHBondContact O-CD 3.41Å
1117T47.5Very low52.7Low99 Ų99108.2 Ų108.261%0.60761%0.611SS**PPolyproline II helixtrans-52.6119.1-170.5-35.60000108.4R1081 V1115R1081-T1117 PolarHBondContact NH2-O 3.02Å; V1115-T1117 PolarHBondContact O-N 2.96Å
1118P53.2Low54.5Low98 Ų98105.3 Ų105.364%0.63659%0.593SS**PPolyproline II helixtrans-55.3130.4-16918.7-31.2000108.4R1120P1118-R1120 PolarHBondContact O-N 3.41Å; P1118-R1120 VanDerWaalsContact O-N 3.11Å
1119P57Low56.4Low44 Ų4499.7 Ų99.729%0.28656%0.556SS.*PPolyproline II helixtrans-51.1124.4-171.317.7-30.3000109.4S1079 R1081 L1121S1079-P1119 WeakPolarHBondContact OG-CB 3.5Å; R1081-P1119 HydrophobicContact CG-CB 4.19Å; P1119-L1121 HydrophobicContact CB-CD2 4.17Å; P1119-L1121 HydrophobicContact CG-CD2 4.14Å; P1119-L1121 VanDerWaalsContact O-CD2 3.24Å; P1119-L1121 WeakPolarHBondContact O-CD2 3.47Å; P1119-L1121 WeakPolarHBondContact O-CG 3.45Å; P1119-L1121 PolarHBondContact O-N 3.08Å
1120R62.8Low58.9Low207 Ų20798.4 Ų98.478%0.78153%0.533SS*.  trans-62.5102.9177.2-81.9-173.4168.5116.3-3.7107.9P1118P1118-R1120 PolarHBondContact O-N 3.41Å; P1118-R1120 VanDerWaalsContact O-N 3.11Å
1121L67.6Low61.5Low79 Ų7993.4 Ų93.441%0.41451%0.509SS..EExtended strand (participates in β ladder)trans-78.5122179.6-52.8-170.9000108.1P1119 Q1156P1119-L1121 HydrophobicContact CB-CD2 4.17Å; P1119-L1121 HydrophobicContact CG-CD2 4.14Å; P1119-L1121 VanDerWaalsContact O-CD2 3.24Å; P1119-L1121 WeakPolarHBondContact O-CD2 3.47Å; P1119-L1121 WeakPolarHBondContact O-CG 3.45Å; P1119-L1121 PolarHBondContact O-N 3.08Å; L1121-Q1156 HydrophobicContact CD2-CG 4.37Å
1122V72.5Confident64Low51 Ų5188.6 Ų88.631%0.30949%0.485SS..EExtended strand (participates in β ladder)trans-115.9131.6175.6178.90000108.1M1078 L1080 F1124M1078-V1122 PolarHBondContact N-O 3.06Å; M1078-V1122 PolarHBondContact O-N 3.23Å; M1078-V1122 VanDerWaalsContact O-N 3.09Å; L1080-V1122 HydrophobicContact CD1-CB 4.45Å; L1080-V1122 HydrophobicContact CD1-CG2 3.63Å; L1080-V1122 HydrophobicContact CG-CG2 4.26Å; V1122-F1124 HydrophobicContact CB-CD2 4.22Å; V1122-F1124 HydrophobicContact CB-CE2 3.53Å; V1122-F1124 HydrophobicContact CB-CZ 3.88Å; V1122-F1124 HydrophobicContact CG1-CD1 4.47Å; V1122-F1124 HydrophobicContact CG1-CD2 4.02Å; V1122-F1124 HydrophobicContact CG1-CE1 3.98Å; V1122-F1124 HydrophobicContact CG1-CE2 3.51Å; V1122-F1124 HydrophobicContact CG1-CZ 3.48Å; V1122-F1124 VanDerWaalsContact CG1-CZ 3.48Å; V1122-F1124 VanDerWaalsContact O-CD2 3.28Å; V1122-F1124 WeakPolarHBondContact O-CD2 3.4Å
1123S77.4Confident66.3Low72 Ų7285 Ų8550%0.50347%0.468SS..EExtended strand (participates in β ladder)trans-85.3118.4178.8-57.90000109.1V1076V1076-S1123 WeakPolarHBondContact O-CA 3.38Å
1124F75.3Confident69Low82 Ų8277.6 Ų77.636%0.3643%0.429SS..EExtended strand (participates in β ladder)trans-118.3148.5178.7-63.9-88.1000110.8P1075 V1076 M1078 V1122P1075-F1124 CarbonylContact C-O 3.53Å; P1075-F1124 VanDerWaalsContact CA-O 3.31Å; P1075-F1124 WeakPolarHBondContact CA-O 3.45Å; V1076-F1124 PolarHBondContact N-O 3.04Å; V1076-F1124 PolarHBondContact O-N 3.36Å; M1078-F1124 HydrophobicContact CB-CD2 3.99Å; M1078-F1124 HydrophobicContact CB-CE2 4.24Å; M1078-F1124 HydrophobicContact CE-CB 3.98Å; M1078-F1124 HydrophobicContact CE-CD2 3.36Å; M1078-F1124 HydrophobicContact CE-CE2 3.85Å; M1078-F1124 HydrophobicContact CE-CG 3.76Å; M1078-F1124 HydrophobicContact CG-CD2 4.07Å; M1078-F1124 HydrophobicContact SD-CD2 4.5Å; V1122-F1124 HydrophobicContact CB-CD2 4.22Å; V1122-F1124 HydrophobicContact CB-CE2 3.53Å; V1122-F1124 HydrophobicContact CB-CZ 3.88Å; V1122-F1124 HydrophobicContact CG1-CD1 4.47Å; V1122-F1124 HydrophobicContact CG1-CD2 4.02Å; V1122-F1124 HydrophobicContact CG1-CE1 3.98Å; V1122-F1124 HydrophobicContact CG1-CE2 3.51Å; V1122-F1124 HydrophobicContact CG1-CZ 3.48Å; V1122-F1124 VanDerWaalsContact CG1-CZ 3.48Å; V1122-F1124 VanDerWaalsContact O-CD2 3.28Å; V1122-F1124 WeakPolarHBondContact O-CD2 3.4Å
1125F77.6Confident71.4Confident146 Ų14680 Ų8064%0.6442%0.419SS*.PPolyproline II helixtrans-86.2121.1165.2-71-87.1000109.1P1075P1075-F1125 HydrophobicContact CB-CD1 4.12Å; P1075-F1125 HydrophobicContact CB-CD2 4.14Å; P1075-F1125 HydrophobicContact CB-CE1 3.98Å; P1075-F1125 HydrophobicContact CB-CE2 3.99Å; P1075-F1125 HydrophobicContact CB-CG 4.2Å; P1075-F1125 HydrophobicContact CB-CZ 3.91Å; P1075-F1125 HydrophobicContact CG-CE1 4.14Å; P1075-F1125 HydrophobicContact CG-CE2 4.31Å; P1075-F1125 HydrophobicContact CG-CZ 3.89Å
1126L77.6Confident73.7Confident22 Ų2274.7 Ų74.712%0.11539%0.388CS..PPolyproline II helixtrans-71134.1164.8-11473.5000108.7I1070 V1076 M1078 R1128 F1153I1070-L1126 HydrophobicContact CD1-CD2 4.23Å; I1070-L1126 HydrophobicContact CG2-CD2 3.9Å; V1076-L1126 HydrophobicContact CG2-CD1 4Å; M1078-L1126 HydrophobicContact SD-CD1 4.38Å; L1126-R1128 PolarHBondContact O-N 3.21Å; L1126-F1153 HydrophobicContact CD2-CE1 4.41Å; L1126-F1153 HydrophobicContact CD2-CE2 4.49Å; L1126-F1153 HydrophobicContact CD2-CZ 4.28Å
1127P69.6Low75.8Confident60 Ų6071.3 Ų71.339%0.3937%0.365SS..PPolyproline II helixtrans-61.9124177.1-19.931.1000110.6F995 T1130F995-P1127 HydrophobicContact CE1-CB 4.02Å; F995-P1127 HydrophobicContact CZ-CB 3.74Å; P1127-T1130 HydrophobicContact CB-CG2 3.96Å; P1127-T1130 HydrophobicContact CG-CG2 4.38Å; P1127-T1130 WeakPolarHBondContact O-CB 3.43Å; P1127-T1130 WeakPolarHBondContact O-CG2 3.27Å; P1127-T1130 PolarHBondContact O-N 3.37Å; P1127-T1130 PolarHBondContact O-OG1 3.46Å
1128R68.8Low77.8Confident119 Ų11967.5 Ų67.545%0.44934%0.343SS..THydrogen-bonded Turntrans-66.9138.7-173.4-60.9-170.9-175166.64.2111.8F995 M1003 L1126 T1130F995-R1128 WeakPolarHBondContact CE1-O 3.29Å; M1003-R1128 HydrophobicContact CE-CB 4.47Å; M1003-R1128 WeakPolarHBondContact CE-O 3.34Å; M1003-R1128 HydrophobicContact SD-CB 3.52Å; M1003-R1128 VanDerWaalsContact SD-CB 3.52Å; L1126-R1128 PolarHBondContact O-N 3.21Å; R1128-T1130 PolarHBondContact O-N 2.66Å
1129G67.7Low79.6Confident12 Ų1266.1 Ų66.112%0.12434%0.335CS..THydrogen-bonded Turntrans77.99.8-176.800000113.6C999 I1070C999-G1129 PolarHBondContact SG-O 3.38Å; I1070-G1129 PolarHBondContact O-N 2.87Å
1130T80.3Confident81.4Confident44 Ų4465.1 Ų65.127%0.2733%0.328SS..EExtended strand (participates in β ladder)trans-57.4152.7158.441.70000110I1070 P1127 R1128I1070-T1130 PolarHBondContact N-O 3.01Å; P1127-T1130 HydrophobicContact CB-CG2 3.96Å; P1127-T1130 HydrophobicContact CG-CG2 4.38Å; P1127-T1130 WeakPolarHBondContact O-CB 3.43Å; P1127-T1130 WeakPolarHBondContact O-CG2 3.27Å; P1127-T1130 PolarHBondContact O-N 3.37Å; P1127-T1130 PolarHBondContact O-OG1 3.46Å; R1128-T1130 PolarHBondContact O-N 2.66Å
1131S87.4Confident82.9Confident34 Ų3456.9 Ų56.924%0.23830%0.301CS..EExtended strand (participates in β ladder)trans-133.7151.7169.764.20000110.5R1067 I1068R1067-S1131 PolarHBondContact NH1-OG 3.3Å; R1067-S1131 VanDerWaalsContact NH1-OG 3.11Å; I1068-S1131 CarbonylContact O-C 3.56Å; I1068-S1131 VanDerWaalsContact O-CA 3.29Å; I1068-S1131 WeakPolarHBondContact O-CA 3.34Å; I1068-S1131 WeakPolarHBondContact O-CB 3.3Å
1132K87.8Confident84.2Confident90 Ų9053.2 Ų53.239%0.39128%0.282SS..EExtended strand (participates in β ladder)trans-126141.6170.8-76-64.8-172.7178.10109.8R1067 I1068 I1070 L1149 F1153R1067-K1132 WeakPolarHBondContact CA-O 3.21Å; I1068-K1132 PolarHBondContact N-O 3Å; I1068-K1132 PolarHBondContact O-N 3.38Å; I1070-K1132 HydrophobicContact CD1-CG 4.29Å; K1132-L1149 HydrophobicContact CB-CD2 4.23Å; K1132-F1153 HydrophobicContact CD-CZ 4.15Å; K1132-F1153 HydrophobicContact CG-CE2 3.91Å; K1132-F1153 HydrophobicContact CG-CZ 3.51Å
1133V90.5Very high85.1Confident58 Ų5852.5 Ų52.535%0.35228%0.281SS..EExtended strand (participates in β ladder)trans-88.8125.9165.8-177.30000107.7L1051 T1065 L1066 R1067 R1152L1051-V1133 HydrophobicContact CD2-CG1 4.45Å; T1065-V1133 HydrophobicContact CG2-CG1 4.01Å; L1066-V1133 CarbonylContact O-C 3.6Å; L1066-V1133 WeakPolarHBondContact O-CA 3.5Å; R1067-V1133 HydrophobicContact CB-CG2 4.38Å; R1067-V1133 HydrophobicContact CG-CG2 4.49Å; V1133-R1152 PolarHBondContact O-NH1 3.47Å
1134V91.6Very high85.9Confident3 Ų353.6 Ų53.62%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-118.2141.5176-68.70000109.6T1065 L1066 I1068 V1136 L1149T1065-V1134 CarbonylContact C-O 3.44Å; T1065-V1134 VanDerWaalsContact CA-O 3.31Å; T1065-V1134 WeakPolarHBondContact CA-O 3.37Å; L1066-V1134 HydrophobicContact CB-CG2 4.23Å; L1066-V1134 PolarHBondContact N-O 2.79Å; L1066-V1134 WeakPolarHBondContact O-CG2 3.43Å; L1066-V1134 PolarHBondContact O-N 3.11Å; I1068-V1134 HydrophobicContact CD1-CG2 3.78Å; I1068-V1134 HydrophobicContact CG1-CG2 4.22Å; V1134-V1136 HydrophobicContact CB-CG1 4.39Å; V1134-V1136 HydrophobicContact CG2-CG1 3.97Å; V1134-L1149 HydrophobicContact CG1-CD2 3.52Å; V1134-L1149 HydrophobicContact CG1-CG 4.1Å
1135Y92.6Very high86.7Confident138 Ų13849.7 Ų49.754%0.54126%0.264SS..EExtended strand (participates in β ladder)trans-91.1124.6172.1-170.1-99.3000108.9A1063 G1064 T1065A1063-Y1135 HydrophobicContact CB-CE1 3.91Å; A1063-Y1135 WeakPolarHBondContact CB-OH 3.49Å; G1064-Y1135 WeakPolarHBondContact O-CA 3Å; T1065-Y1135 HydrophobicContact CG2-CD2 4.11Å
1136V93.4Very high87.5Confident6 Ų643.2 Ų43.24%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-140.9156.5-172.5-67.40000110.8A1063 G1064 L1066 V1134 T1140 L1186A1063-V1136 CarbonylContact C-O 3.56Å; A1063-V1136 VanDerWaalsContact CA-O 3.27Å; A1063-V1136 WeakPolarHBondContact CA-O 3.37Å; G1064-V1136 PolarHBondContact N-O 2.87Å; G1064-V1136 PolarHBondContact O-N 3.36Å; L1066-V1136 HydrophobicContact CB-CG2 4.01Å; V1134-V1136 HydrophobicContact CB-CG1 4.39Å; V1134-V1136 HydrophobicContact CG2-CG1 3.97Å; V1136-T1140 HydrophobicContact CB-CG2 4.13Å; V1136-T1140 HydrophobicContact CG1-CG2 4.01Å; V1136-L1186 HydrophobicContact CG2-CB 4.13Å; V1136-L1186 HydrophobicContact CG2-CD1 4.13Å; V1136-L1186 HydrophobicContact CG2-CD2 4.47Å; V1136-L1186 HydrophobicContact CG2-CG 4.48Å
1137T93.1Very high88.2Confident34 Ų3445.9 Ų45.921%0.20925%0.248CC..EExtended strand (participates in β ladder)trans-96.5164.417468.50000111.7L1062 A1063 S1139 T1140L1062-T1137 CarbonylContact O-C 3.5Å; L1062-T1137 WeakPolarHBondContact O-CA 3.4Å; A1063-T1137 HydrophobicContact CB-CG2 4.1Å; T1137-S1139 PolarHBondContact O-N 2.68Å; T1137-S1139 PolarHBondContact OG1-N 2.74Å; T1137-S1139 PolarHBondContact OG1-OG 2.99Å; T1137-T1140 PolarHBondContact N-OG1 3.36Å; T1137-T1140 VanDerWaalsContact O-CB 3.31Å; T1137-T1140 WeakPolarHBondContact O-CB 3.32Å; T1137-T1140 PolarHBondContact O-N 2.97Å; T1137-T1140 PolarHBondContact O-OG1 2.83Å; T1137-T1140 PolarHBondContact OG1-N 3.3Å; T1137-T1140 VanDerWaalsContact OG1-N 3.15Å; T1137-T1140 PolarHBondContact OG1-OG1 3.05Å
1138S91.2Very high89.1Confident19 Ų1945.3 Ų45.313%0.13325%0.246CC..THydrogen-bonded Turntrans-59.8-23.8169.457.90000112.9L1062 C1184L1062-S1138 PolarHBondContact N-OG 3.3Å; L1062-S1138 PolarHBondContact O-N 2.95Å; L1062-S1138 PolarHBondContact O-OG 3.41Å; S1138-C1184 VanDerWaalsContact O-CB 3.28Å; S1138-C1184 WeakPolarHBondContact O-CB 3.37Å; S1138-C1184 PolarHBondContact O-SG 3.2Å
1139S90.6Very high90.1Very high68 Ų6839.7 Ų39.748%0.47623%0.225SC..THydrogen-bonded Turntrans-90.54.5174.471.60000114.3T1137 T1141T1137-S1139 PolarHBondContact O-N 2.68Å; T1137-S1139 PolarHBondContact OG1-N 2.74Å; T1137-S1139 PolarHBondContact OG1-OG 2.99Å; S1139-T1141 PolarHBondContact O-N 2.92Å
1140T93.5Very high91.2Very high23 Ų2339.2 Ų39.214%0.14122%0.219CC..  trans-84.8110.2177-59.10000109.2V1136 T1137 N1144 A1145 C1184 P1185V1136-T1140 HydrophobicContact CB-CG2 4.13Å; V1136-T1140 HydrophobicContact CG1-CG2 4.01Å; T1137-T1140 PolarHBondContact N-OG1 3.36Å; T1137-T1140 VanDerWaalsContact O-CB 3.31Å; T1137-T1140 WeakPolarHBondContact O-CB 3.32Å; T1137-T1140 PolarHBondContact O-N 2.97Å; T1137-T1140 PolarHBondContact O-OG1 2.83Å; T1137-T1140 PolarHBondContact OG1-N 3.3Å; T1137-T1140 VanDerWaalsContact OG1-N 3.15Å; T1137-T1140 PolarHBondContact OG1-OG1 3.05Å; T1140-N1144 HydrophobicContact CG2-CB 4.09Å; T1140-A1145 HydrophobicContact CG2-CB 4.32Å; T1140-C1184 WeakPolarHBondContact O-CA 3.45Å; T1140-C1184 WeakPolarHBondContact O-CB 3.4Å; T1140-C1184 PolarHBondContact O-SG 2.63Å; T1140-P1185 WeakPolarHBondContact O-CD 3.36Å
1141T94.7Very high91.5Very high34 Ų3441.3 Ų41.321%0.20923%0.229CC..  trans-71.7162.8176.963.20000112.1S1139 A1143 N1144 A1145 T1181 E1183S1139-T1141 PolarHBondContact O-N 2.92Å; T1141-A1143 VanDerWaalsContact C-N 3.27Å; T1141-A1143 PolarHBondContact O-N 3.42Å; T1141-N1144 PolarHBondContact O-N 3.41Å; T1141-N1144 VanDerWaalsContact O-N 3.13Å; T1141-N1144 VanDerWaalsContact OG1-CG 3.3Å; T1141-N1144 PolarHBondContact OG1-N 2.94Å; T1141-N1144 PolarHBondContact OG1-OD1 3.36Å; T1141-A1145 PolarHBondContact O-N 2.96Å; T1141-T1181 WeakPolarHBondContact CB-O 3.42Å; T1141-E1183 CarbonylContact C-O 3.59Å
1142S94.4Very high91.3Very high3 Ų346.6 Ų46.62%0.02124%0.243CC..Hα-helixtrans-57.9-38.6175.8-62.40000112.4A1145 I1146 S1180 E1183S1142-A1145 PolarHBondContact O-N 3.44Å; S1142-I1146 WeakPolarHBondContact O-CD1 3.33Å; S1142-I1146 WeakPolarHBondContact O-CG1 3.29Å; S1142-I1146 PolarHBondContact O-N 2.85Å; S1142-S1180 VanDerWaalsContact CB-O 3.31Å; S1142-S1180 WeakPolarHBondContact CB-O 3.49Å; S1142-S1180 PolarHBondContact OG-O 3.22Å; S1142-E1183 WeakPolarHBondContact CB-O 3.47Å; S1142-E1183 PolarHBondContact N-O 3.14Å; S1142-E1183 PolarHBondContact OG-O 3.45Å
1143A92.4Very high90.9Very high35 Ų3544.6 Ų44.629%0.28924%0.235SC..Hα-helixtrans-61.9-43.6175.100000112.3T1141 I1146 Q1147T1141-A1143 VanDerWaalsContact C-N 3.27Å; T1141-A1143 PolarHBondContact O-N 3.42Å; A1143-I1146 PolarHBondContact O-N 3.44Å; A1143-Q1147 PolarHBondContact O-N 2.9Å
1144N93.4Very high90.5Very high95 Ų9545.3 Ų45.351%0.50823%0.234SC..Hα-helixtrans-69.4-37.2177.9-65.32.3000111.6T1140 T1141 Q1147 S1148T1140-N1144 HydrophobicContact CG2-CB 4.09Å; T1141-N1144 PolarHBondContact O-N 3.41Å; T1141-N1144 VanDerWaalsContact O-N 3.13Å; T1141-N1144 VanDerWaalsContact OG1-CG 3.3Å; T1141-N1144 PolarHBondContact OG1-N 2.94Å; T1141-N1144 PolarHBondContact OG1-OD1 3.36Å; N1144-Q1147 PolarHBondContact O-N 3.45Å; N1144-S1148 WeakPolarHBondContact O-CB 3.26Å; N1144-S1148 PolarHBondContact O-N 2.96Å; N1144-S1148 PolarHBondContact O-OG 3.49Å; N1144-S1148 VanDerWaalsContact O-OG 3.09Å
1145A93.5Very high90.2Very high0 Ų045.6 Ų45.60%024%0.236CC..Hα-helixtrans-63.6-41.6174.500000111.8T1140 T1141 S1142 S1148 L1149 L1164 P1185T1140-A1145 HydrophobicContact CG2-CB 4.32Å; T1141-A1145 PolarHBondContact O-N 2.96Å; S1142-A1145 PolarHBondContact O-N 3.44Å; A1145-S1148 PolarHBondContact O-OG 3.48Å; A1145-L1149 PolarHBondContact O-N 2.96Å; A1145-L1164 HydrophobicContact CB-CD1 4.12Å; A1145-P1185 HydrophobicContact CB-CG 4.11Å
1146I93.9Very high89.7Confident11 Ų1144 Ų446%0.05623%0.233CC..Hα-helixtrans-61.6-52.6173-67.1161.7000110.3S1142 A1143 S1148 L1149 L1150 A1159 F1162 L1164 L1213S1142-I1146 WeakPolarHBondContact O-CD1 3.33Å; S1142-I1146 WeakPolarHBondContact O-CG1 3.29Å; S1142-I1146 PolarHBondContact O-N 2.85Å; A1143-I1146 PolarHBondContact O-N 3.44Å; I1146-S1148 VanDerWaalsContact C-N 3.35Å; I1146-S1148 PolarHBondContact O-N 3.42Å; I1146-L1149 WeakPolarHBondContact O-CB 3.44Å; I1146-L1149 PolarHBondContact O-N 3.33Å; I1146-L1149 VanDerWaalsContact O-N 3.1Å; I1146-L1150 HydrophobicContact CG2-CD1 3.8Å; I1146-L1150 HydrophobicContact CG2-CG 4.3Å; I1146-L1150 WeakPolarHBondContact O-CG 3.15Å; I1146-L1150 PolarHBondContact O-N 3.48Å; I1146-A1159 HydrophobicContact CG2-CB 3.85Å; I1146-F1162 HydrophobicContact CG2-CB 4.09Å; I1146-L1164 HydrophobicContact CD1-CG 4.21Å; I1146-L1164 HydrophobicContact CG1-CD1 4.43Å; I1146-L1164 HydrophobicContact CG1-CD2 4.3Å; I1146-L1164 HydrophobicContact CG1-CG 3.87Å; I1146-L1213 HydrophobicContact CG1-CD1 3.89Å; I1146-L1213 HydrophobicContact CG2-CD1 4.31Å
1147Q91.7Very high89.2Confident78 Ų7845.1 Ų45.136%0.36424%0.238SC..Hα-helixtrans-57.6-46.6-178.5-169.363.254.200111.7A1143 N1144 L1149 L1150 D1151A1143-Q1147 PolarHBondContact O-N 2.9Å; N1144-Q1147 PolarHBondContact O-N 3.45Å; Q1147-L1149 VanDerWaalsContact C-N 3.26Å; Q1147-L1149 PolarHBondContact O-N 2.88Å; Q1147-L1150 PolarHBondContact O-N 2.93Å; Q1147-D1151 PolarHBondContact NE2-OD1 3.04Å; Q1147-D1151 PolarHBondContact O-N 2.87Å
1148S89.3Confident88.8Confident48 Ų4847.1 Ų47.134%0.33625%0.253SS..Hα-helixtrans-64.2-24178.4640000114.8N1144 A1145 I1146 R1152N1144-S1148 WeakPolarHBondContact O-CB 3.26Å; N1144-S1148 PolarHBondContact O-N 2.96Å; N1144-S1148 PolarHBondContact O-OG 3.49Å; N1144-S1148 VanDerWaalsContact O-OG 3.09Å; A1145-S1148 PolarHBondContact O-OG 3.48Å; I1146-S1148 VanDerWaalsContact C-N 3.35Å; I1146-S1148 PolarHBondContact O-N 3.42Å; S1148-R1152 VanDerWaalsContact O-CB 3.22Å; S1148-R1152 WeakPolarHBondContact O-CB 3.27Å; S1148-R1152 PolarHBondContact O-N 2.78Å
1149L90.4Very high88.6Confident1 Ų147.2 Ų47.21%0.00526%0.255CS..Hα-helixtrans-73.8-47.6168-81.5171.9000111.4I1068 K1132 V1134 A1145 I1146 Q1147 R1152 F1153 L1213I1068-L1149 HydrophobicContact CB-CD1 4.25Å; I1068-L1149 HydrophobicContact CD1-CD1 3.76Å; I1068-L1149 HydrophobicContact CG2-CD1 3.95Å; K1132-L1149 HydrophobicContact CB-CD2 4.23Å; V1134-L1149 HydrophobicContact CG1-CD2 3.52Å; V1134-L1149 HydrophobicContact CG1-CG 4.1Å; A1145-L1149 PolarHBondContact O-N 2.96Å; I1146-L1149 WeakPolarHBondContact O-CB 3.44Å; I1146-L1149 PolarHBondContact O-N 3.33Å; I1146-L1149 VanDerWaalsContact O-N 3.1Å; Q1147-L1149 VanDerWaalsContact C-N 3.26Å; Q1147-L1149 PolarHBondContact O-N 2.88Å; L1149-R1152 PolarHBondContact O-N 2.95Å; L1149-F1153 HydrophobicContact CD2-CE2 4.27Å; L1149-F1153 VanDerWaalsContact O-CD2 3.26Å; L1149-F1153 WeakPolarHBondContact O-CD2 3.22Å; L1149-F1153 PolarHBondContact O-N 3.44Å; L1149-L1213 HydrophobicContact CD1-CD2 4.2Å
1150L89.5Confident88.4Confident1 Ų150.4 Ų50.41%0.00526%0.257CS..Hα-helixtrans-63.3-44.5-177.8-61.9173.1000111.4I1146 Q1147 R1152 F1153 H1154 I1155 A1159 F1162I1146-L1150 HydrophobicContact CG2-CD1 3.8Å; I1146-L1150 HydrophobicContact CG2-CG 4.3Å; I1146-L1150 WeakPolarHBondContact O-CG 3.15Å; I1146-L1150 PolarHBondContact O-N 3.48Å; Q1147-L1150 PolarHBondContact O-N 2.93Å; L1150-R1152 VanDerWaalsContact C-N 3.34Å; L1150-R1152 PolarHBondContact O-N 3.45Å; L1150-F1153 CarbonylContact O-C 3.52Å; L1150-F1153 PolarHBondContact O-N 2.96Å; L1150-H1154 PolarHBondContact O-N 3.06Å; L1150-I1155 HydrophobicContact CB-CB 4.32Å; L1150-I1155 HydrophobicContact CD2-CB 3.94Å; L1150-I1155 HydrophobicContact CD2-CD1 3.91Å; L1150-I1155 HydrophobicContact CD2-CG2 3.79Å; L1150-I1155 PolarHBondContact O-N 2.9Å; L1150-A1159 HydrophobicContact CD1-CB 3.96Å; L1150-F1162 HydrophobicContact CD1-CD2 3.72Å; L1150-F1162 HydrophobicContact CD1-CE2 3.87Å; L1150-F1162 HydrophobicContact CD2-CD2 3.9Å; L1150-F1162 HydrophobicContact CD2-CE2 3.64Å; L1150-F1162 HydrophobicContact CD2-CZ 4.1Å; L1150-F1162 HydrophobicContact CG-CD2 4.43Å; L1150-F1162 HydrophobicContact CG-CE2 4.43Å
1151D87.3Confident88.1Confident89 Ų8952.3 Ų52.348%0.47626%0.263SS..Hα-helixtrans-58.9-45.6175.5-63.6-21.9000111.1Q1147 F1153 H1154Q1147-D1151 PolarHBondContact NE2-OD1 3.04Å; Q1147-D1151 PolarHBondContact O-N 2.87Å; D1151-F1153 VanDerWaalsContact C-N 3.31Å; D1151-F1153 PolarHBondContact O-N 3Å; D1151-H1154 PolarHBondContact O-N 3.22Å; D1151-H1154 PolarHBondContact O-ND1 3.37Å
1152R83.1Confident88Confident144 Ų14451 Ų5154%0.54325%0.254SS..Hα-helixtrans-64.5-32.2178.4-179.2180-67.8-160.3-7.1113V1133 S1148 L1149 L1150V1133-R1152 PolarHBondContact O-NH1 3.47Å; S1148-R1152 VanDerWaalsContact O-CB 3.22Å; S1148-R1152 WeakPolarHBondContact O-CB 3.27Å; S1148-R1152 PolarHBondContact O-N 2.78Å; L1149-R1152 PolarHBondContact O-N 2.95Å; L1150-R1152 VanDerWaalsContact C-N 3.34Å; L1150-R1152 PolarHBondContact O-N 3.45Å
1153F78.8Confident87.9Confident48 Ų4851.1 Ų51.121%0.21126%0.255CS..THydrogen-bonded Turntrans-90.1-0.1173.3-76.4-67.3000113.6I1070 M1078 L1126 K1132 L1149 L1150 D1151 I1155I1070-F1153 HydrophobicContact CD1-CE2 3.58Å; I1070-F1153 HydrophobicContact CD1-CZ 3.79Å; M1078-F1153 VanDerWaalsContact SD-O 3.37Å; L1126-F1153 HydrophobicContact CD2-CE1 4.41Å; L1126-F1153 HydrophobicContact CD2-CE2 4.49Å; L1126-F1153 HydrophobicContact CD2-CZ 4.28Å; K1132-F1153 HydrophobicContact CD-CZ 4.15Å; K1132-F1153 HydrophobicContact CG-CE2 3.91Å; K1132-F1153 HydrophobicContact CG-CZ 3.51Å; L1149-F1153 HydrophobicContact CD2-CE2 4.27Å; L1149-F1153 VanDerWaalsContact O-CD2 3.26Å; L1149-F1153 WeakPolarHBondContact O-CD2 3.22Å; L1149-F1153 PolarHBondContact O-N 3.44Å; L1150-F1153 CarbonylContact O-C 3.52Å; L1150-F1153 PolarHBondContact O-N 2.96Å; D1151-F1153 VanDerWaalsContact C-N 3.31Å; D1151-F1153 PolarHBondContact O-N 3Å; F1153-I1155 HydrophobicContact CB-CD1 3.61Å; F1153-I1155 HydrophobicContact CB-CG1 3.77Å; F1153-I1155 HydrophobicContact CD2-CD1 4.5Å; F1153-I1155 HydrophobicContact CG-CD1 4.3Å; F1153-I1155 PolarHBondContact O-N 3.39Å
1154H82.5Confident88Confident73 Ų7349.5 Ų49.534%0.33824%0.242SC..THydrogen-bonded Turntrans54.729.8-174.4-57.2-6.7000113.6M1078 S1079 R1082 L1150 D1151M1078-H1154 WeakPolarHBondContact CA-O 3.44Å; S1079-H1154 PolarHBondContact N-O 2.8Å; R1082-H1154 PolarHBondContact NH1-CE1 3.33Å; R1082-H1154 PolarHBondContact NH1-NE2 2.98Å; L1150-H1154 PolarHBondContact O-N 3.06Å; D1151-H1154 PolarHBondContact O-N 3.22Å; D1151-H1154 PolarHBondContact O-ND1 3.37Å
1155I84.5Confident88Confident10 Ų1045.8 Ų45.85%0.05122%0.221CC..BIsolated β-bridgetrans-76.3121.3175.2-65.1164.9000108V1076 K1077 M1078 L1150 F1153 E1157V1076-I1155 HydrophobicContact CB-CD1 4.43Å; V1076-I1155 HydrophobicContact CB-CG1 4.37Å; V1076-I1155 HydrophobicContact CB-CG2 4.15Å; V1076-I1155 HydrophobicContact CG1-CD1 4.4Å; V1076-I1155 HydrophobicContact CG1-CG2 3.87Å; V1076-I1155 HydrophobicContact CG2-CD1 4.37Å; K1077-I1155 WeakPolarHBondContact O-CA 3.47Å; M1078-I1155 HydrophobicContact CG-CG1 3.93Å; M1078-I1155 HydrophobicContact SD-CG1 4.05Å; L1150-I1155 HydrophobicContact CB-CB 4.32Å; L1150-I1155 HydrophobicContact CD2-CB 3.94Å; L1150-I1155 HydrophobicContact CD2-CD1 3.91Å; L1150-I1155 HydrophobicContact CD2-CG2 3.79Å; L1150-I1155 PolarHBondContact O-N 2.9Å; F1153-I1155 HydrophobicContact CB-CD1 3.61Å; F1153-I1155 HydrophobicContact CB-CG1 3.77Å; F1153-I1155 HydrophobicContact CD2-CD1 4.5Å; F1153-I1155 HydrophobicContact CG-CD1 4.3Å; F1153-I1155 PolarHBondContact O-N 3.39Å; I1155-E1157 VanDerWaalsContact C-N 3.3Å; I1155-E1157 HydrophobicContact CG2-CB 3.95Å; I1155-E1157 HydrophobicContact CG2-CG 4.08Å; I1155-E1157 PolarHBondContact O-N 2.9Å
1156Q82.4Confident88.1Confident105 Ų10546.3 Ų46.349%0.49122%0.223SC..  trans-90.914.4-177.5-67.4-154.6-1600114K1077 L1121K1077-Q1156 PolarHBondContact O-N 3.08Å; L1121-Q1156 HydrophobicContact CD2-CG 4.37Å
1157E83.1Confident88.1Confident29 Ų2946.1 Ų46.114%0.13622%0.222CC..SBendtrans-88143-179.8-59-168174.100111.3V1076 K1077 I1155 A1159 K1161 F1162V1076-E1157 WeakPolarHBondContact CA-OE1 3.42Å; K1077-E1157 HydrophobicContact CB-CG 4.08Å; K1077-E1157 PolarHBondContact N-OE1 3.06Å; I1155-E1157 VanDerWaalsContact C-N 3.3Å; I1155-E1157 HydrophobicContact CG2-CB 3.95Å; I1155-E1157 HydrophobicContact CG2-CG 4.08Å; I1155-E1157 PolarHBondContact O-N 2.9Å; E1157-A1159 PolarHBondContact O-N 3.08Å; E1157-K1161 HydrophobicContact CB-CD 4.48Å; E1157-K1161 IonicContact OE1-NZ 2.85Å; E1157-K1161 WeakPolarHBondContact OE2-CD 3.33Å; E1157-K1161 WeakPolarHBondContact OE2-CE 3.31Å; E1157-K1161 IonicContact OE2-NZ 3.43Å; E1157-K1161 PolarHBondContact OE2-NZ 3.04Å; E1157-F1162 HydrophobicContact CB-CE2 3.89Å; E1157-F1162 HydrophobicContact CB-CZ 4.02Å
1158S85.1Confident88.2Confident76 Ų7643.1 Ų43.153%0.53121%0.209SC..  trans-56.6131.2-179.3176.40000111.5R1160 K1161S1158-R1160 PolarHBondContact O-N 3.24Å; S1158-R1160 PolarHBondContact OG-N 3.1Å; S1158-K1161 VanDerWaalsContact O-CB 3.27Å; S1158-K1161 WeakPolarHBondContact O-CB 3.26Å; S1158-K1161 PolarHBondContact O-N 3.48Å
1159A87.6Confident88.3Confident20 Ų2043 Ų4317%0.16521%0.205CC..G310 helixtrans-53-25.8176.300000113.7I1146 L1150 E1157 K1161 F1162I1146-A1159 HydrophobicContact CG2-CB 3.85Å; L1150-A1159 HydrophobicContact CD1-CB 3.96Å; E1157-A1159 PolarHBondContact O-N 3.08Å; A1159-K1161 VanDerWaalsContact C-N 3.27Å; A1159-K1161 PolarHBondContact O-N 3.22Å; A1159-F1162 PolarHBondContact O-N 2.92Å; A1159-F1162 VanDerWaalsContact O-N 3.11Å; A1159-F1162 VanDerWaalsContact O-O 3.05Å
1160R85Confident88.2Confident136 Ų13647.1 Ų47.151%0.51322%0.224SC..G310 helixtrans-67.2-23.6176.7-52.9-162-158.3179.224.1114.2S1158 F1162 N1216 C1219 E1222S1158-R1160 PolarHBondContact O-N 3.24Å; S1158-R1160 PolarHBondContact OG-N 3.1Å; R1160-F1162 PolarHBondContact O-N 2.95Å; R1160-N1216 PolarHBondContact O-ND2 3.36Å; R1160-C1219 PolarHBondContact O-SG 2.84Å; R1160-E1222 IonicContact CZ-OE1 2.76Å; R1160-E1222 IonicContact CZ-OE2 2.77Å; R1160-E1222 IonicContact NH1-OE1 3.8Å; R1160-E1222 PolarHBondContact NH1-OE1 3.11Å; R1160-E1222 IonicContact NH1-OE2 3.35Å; R1160-E1222 PolarHBondContact NH1-OE2 3.26Å; R1160-E1222 IonicContact NH2-OE1 3.92Å; R1160-E1222 IonicContact NH2-OE2 2.66Å; R1160-E1222 PolarHBondContact NH2-OE2 3.37Å
1161K87.8Confident88Confident63 Ų6350.6 Ų50.627%0.27426%0.26SS..G310 helixtrans-68.5-10.8173.6-161.7-153.9174.5-165.10111.6E1157 S1158 A1159 E1215 N1216E1157-K1161 HydrophobicContact CB-CD 4.48Å; E1157-K1161 IonicContact OE1-NZ 2.85Å; E1157-K1161 WeakPolarHBondContact OE2-CD 3.33Å; E1157-K1161 WeakPolarHBondContact OE2-CE 3.31Å; E1157-K1161 IonicContact OE2-NZ 3.43Å; E1157-K1161 PolarHBondContact OE2-NZ 3.04Å; S1158-K1161 VanDerWaalsContact O-CB 3.27Å; S1158-K1161 WeakPolarHBondContact O-CB 3.26Å; S1158-K1161 PolarHBondContact O-N 3.48Å; A1159-K1161 VanDerWaalsContact C-N 3.27Å; A1159-K1161 PolarHBondContact O-N 3.22Å; K1161-E1215 CarbonylContact O-C 3.54Å; K1161-E1215 WeakPolarHBondContact O-CA 3.5Å; K1161-N1216 PolarHBondContact O-N 3.33Å
1162F91.7Very high87.8Confident6 Ų650.9 Ų50.93%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-122.3158.7179.6-48.4-82.1000111.1L1072 V1076 I1146 L1150 E1157 A1159 R1160 L1213 Q1214 E1215L1072-F1162 HydrophobicContact CD1-CE1 4.01Å; L1072-F1162 HydrophobicContact CD2-CD1 3.64Å; L1072-F1162 HydrophobicContact CD2-CE1 3.71Å; V1076-F1162 HydrophobicContact CG1-CE1 4.06Å; V1076-F1162 HydrophobicContact CG1-CZ 3.76Å; I1146-F1162 HydrophobicContact CG2-CB 4.09Å; L1150-F1162 HydrophobicContact CD1-CD2 3.72Å; L1150-F1162 HydrophobicContact CD1-CE2 3.87Å; L1150-F1162 HydrophobicContact CD2-CD2 3.9Å; L1150-F1162 HydrophobicContact CD2-CE2 3.64Å; L1150-F1162 HydrophobicContact CD2-CZ 4.1Å; L1150-F1162 HydrophobicContact CG-CD2 4.43Å; L1150-F1162 HydrophobicContact CG-CE2 4.43Å; E1157-F1162 HydrophobicContact CB-CE2 3.89Å; E1157-F1162 HydrophobicContact CB-CZ 4.02Å; A1159-F1162 PolarHBondContact O-N 2.92Å; A1159-F1162 VanDerWaalsContact O-N 3.11Å; A1159-F1162 VanDerWaalsContact O-O 3.05Å; R1160-F1162 PolarHBondContact O-N 2.95Å; F1162-L1213 HydrophobicContact CB-CD1 3.86Å; F1162-Q1214 CarbonylContact C-O 3.46Å; F1162-Q1214 WeakPolarHBondContact CA-O 3.34Å; F1162-Q1214 WeakPolarHBondContact CB-O 3.5Å; F1162-E1215 HydrophobicContact CE1-CG 4.48Å
1163A93.1Very high88Confident5 Ų545.2 Ų45.24%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-143.9155.5168.600000110.4Y1165 K1178 Q1214 N1216A1163-Y1165 HydrophobicContact CB-CD2 4.31Å; A1163-Y1165 HydrophobicContact CB-CE2 3.69Å; A1163-K1178 HydrophobicContact CB-CD 4.29Å; A1163-K1178 HydrophobicContact CB-CG 4.07Å; A1163-Q1214 PolarHBondContact N-O 2.88Å; A1163-Q1214 PolarHBondContact O-N 2.89Å; A1163-N1216 HydrophobicContact CB-CB 4.1Å
1164L94.7Very high88.6Confident1 Ų143 Ų431%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-88138.6166.3-65179.5000108.8I1068 A1145 I1146 L1179 P1185 I1211 V1212 L1213I1068-L1164 HydrophobicContact CD1-CD1 4.47Å; I1068-L1164 HydrophobicContact CD1-CD2 4.24Å; I1068-L1164 HydrophobicContact CG2-CD2 3.94Å; A1145-L1164 HydrophobicContact CB-CD1 4.12Å; I1146-L1164 HydrophobicContact CD1-CG 4.21Å; I1146-L1164 HydrophobicContact CG1-CD1 4.43Å; I1146-L1164 HydrophobicContact CG1-CD2 4.3Å; I1146-L1164 HydrophobicContact CG1-CG 3.87Å; L1164-L1179 HydrophobicContact CB-CB 4.32Å; L1164-L1179 HydrophobicContact CB-CD2 4.27Å; L1164-L1179 PolarHBondContact O-N 3.24Å; L1164-P1185 HydrophobicContact CD1-CB 4.33Å; L1164-P1185 HydrophobicContact CD1-CG 4.1Å; L1164-I1211 HydrophobicContact CB-CG2 4.32Å; L1164-I1211 HydrophobicContact CD1-CG2 4.36Å; L1164-I1211 HydrophobicContact CD2-CG2 4.15Å; L1164-V1212 CarbonylContact C-O 3.58Å; L1164-V1212 WeakPolarHBondContact CA-O 3.37Å; L1164-L1213 HydrophobicContact CD2-CB 4.08Å; L1164-L1213 HydrophobicContact CD2-CD1 3.9Å
1165Y94.3Very high89.1Confident17 Ų1740 Ų407%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-123.5135175.2-68.6-103.6000109.6A1163 H1167 A1176 R1177 K1178 I1211 V1212 Q1214A1163-Y1165 HydrophobicContact CB-CD2 4.31Å; A1163-Y1165 HydrophobicContact CB-CE2 3.69Å; Y1165-H1167 PolarHBondContact O-N 2.99Å; Y1165-A1176 HydrophobicContact CD1-CB 4.24Å; Y1165-R1177 CarbonylContact C-O 3.54Å; Y1165-R1177 VanDerWaalsContact CA-O 3.3Å; Y1165-R1177 WeakPolarHBondContact CA-O 3.3Å; Y1165-K1178 HydrophobicContact CD1-CB 3.84Å; Y1165-K1178 HydrophobicContact CD1-CG 4.46Å; Y1165-K1178 HydrophobicContact CE1-CB 3.57Å; Y1165-K1178 HydrophobicContact CE1-CD 4.37Å; Y1165-K1178 HydrophobicContact CE1-CG 4.01Å; Y1165-K1178 HydrophobicContact CE2-CG 4.5Å; Y1165-I1211 WeakPolarHBondContact O-CA 3.32Å; Y1165-V1212 PolarHBondContact N-O 2.82Å; Y1165-V1212 PolarHBondContact O-N 2.78Å; Y1165-Q1214 HydrophobicContact CD2-CB 3.97Å; Y1165-Q1214 HydrophobicContact CD2-CG 4.08Å; Y1165-Q1214 HydrophobicContact CE2-CB 3.93Å; Y1165-Q1214 HydrophobicContact CE2-CG 4.49Å
1166E95Very high89.5Confident11 Ų1139.8 Ų39.85%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-78.7106.9159.6172.8172.2-161.900107.4R1177 L1179 L1188 W1192 K1209E1166-R1177 HydrophobicContact CB-CB 4.35Å; E1166-R1177 PolarHBondContact N-O 2.87Å; E1166-R1177 PolarHBondContact O-N 3.08Å; E1166-R1177 IonicContact OE2-CZ 2.79Å; E1166-R1177 VanDerWaalsContact OE2-CZ 3.27Å; E1166-R1177 IonicContact OE2-NE 2.68Å; E1166-R1177 PolarHBondContact OE2-NE 2.77Å; E1166-R1177 IonicContact OE2-NH2 3.12Å; E1166-R1177 PolarHBondContact OE2-NH2 3.44Å; E1166-L1179 HydrophobicContact CB-CD1 3.85Å; E1166-L1179 VanDerWaalsContact N-CD1 3.26Å; E1166-L1188 HydrophobicContact CB-CD2 4.06Å; E1166-L1188 HydrophobicContact CG-CD2 4.39Å; E1166-W1192 HydrophobicContact CG-CZ2 4.09Å; E1166-W1192 PolarHBondContact OE1-NE1 2.95Å; E1166-K1209 IonicContact OE1-NZ 2.63Å; E1166-K1209 PolarHBondContact OE1-NZ 3.27Å
1167H93.8Very high90Very high7 Ų736 Ų363%0.03221%0.209CC..EExtended strand (participates in β ladder)trans-87.5134.1166.9-75.7-155000109.6W1002 Y1165 I1174 S1175 K1209 R1210 V1212 Q1214W1002-H1167 HydrophobicContact CZ3-CB 3.77Å; Y1165-H1167 PolarHBondContact O-N 2.99Å; H1167-I1174 HydrophobicContact CB-CG2 3.67Å; H1167-I1174 WeakPolarHBondContact ND1-CG2 3.36Å; H1167-S1175 CarbonylContact C-O 3.51Å; H1167-S1175 WeakPolarHBondContact CA-O 3.27Å; H1167-K1209 VanDerWaalsContact O-CA 3.26Å; H1167-K1209 WeakPolarHBondContact O-CA 3.39Å; H1167-R1210 PolarHBondContact N-O 2.74Å; H1167-R1210 PolarHBondContact O-N 2.73Å; H1167-V1212 HydrophobicContact CB-CG2 4.11Å; H1167-Q1214 PolarHBondContact CE1-NE2 3.22Å; H1167-Q1214 PolarHBondContact NE2-NE2 2.84Å
1168T93.7Very high90.5Very high15 Ų1537.1 Ų37.19%0.09221%0.214CC..EExtended strand (participates in β ladder)trans-122.3128.8171.1-50.40000109.3E1170 I1174 S1175 Q1208 K1209T1168-E1170 HydrophobicContact CG2-CG 4.36Å; T1168-E1170 PolarHBondContact O-N 3.49Å; T1168-I1174 WeakPolarHBondContact O-CA 3.41Å; T1168-S1175 PolarHBondContact N-O 2.87Å; T1168-S1175 PolarHBondContact O-N 2.85Å; T1168-Q1208 HydrophobicContact CG2-CG 4.47Å; T1168-K1209 HydrophobicContact CG2-CG 3.97Å; T1168-K1209 PolarHBondContact OG1-NZ 3.1Å
1169L91.7Very high90.9Very high47 Ų4733.9 Ų33.925%0.24619%0.191CC..EExtended strand (participates in β ladder)trans-76.6113174.7178.161.3000109.9W1002 L1005 Q1208W1002-L1169 HydrophobicContact CH2-CB 3.96Å; W1002-L1169 HydrophobicContact CZ2-CB 3.8Å; W1002-L1169 HydrophobicContact CZ2-CD2 4.24Å; L1005-L1169 HydrophobicContact CD1-CD1 3.39Å; L1169-Q1208 HydrophobicContact CB-CG 3.92Å; L1169-Q1208 WeakPolarHBondContact CB-O 3.36Å; L1169-Q1208 PolarHBondContact N-O 3.44Å; L1169-Q1208 WeakPolarHBondContact O-CG 3.48Å; L1169-Q1208 PolarHBondContact O-NE2 3.33Å
1170E88Confident91Very high86 Ų8635 Ų3540%0.40220%0.198SC..EExtended strand (participates in β ladder)trans-118.593.4179.3-74.2173.8-144.800107.9Y1008 T1168 S1172 S1173 S1175Y1008-E1170 WeakPolarHBondContact OH-CB 3.47Å; Y1008-E1170 VanDerWaalsContact OH-CD 3.31Å; Y1008-E1170 PolarHBondContact OH-OE2 3.45Å; T1168-E1170 HydrophobicContact CG2-CG 4.36Å; T1168-E1170 PolarHBondContact O-N 3.49Å; E1170-S1172 PolarHBondContact O-N 3.5Å; E1170-S1173 CarbonylContact C-O 3.57Å; E1170-S1173 PolarHBondContact N-O 2.88Å; E1170-S1173 PolarHBondContact O-N 3.34Å; E1170-S1173 VanDerWaalsContact O-N 3.07Å; E1170-S1173 VanDerWaalsContact O-O 3.12Å; E1170-S1173 PolarHBondContact O-OG 2.66Å; E1170-S1175 VanDerWaalsContact CD-CB 3.42Å; E1170-S1175 WeakPolarHBondContact OE1-CB 3.41Å; E1170-S1175 PolarHBondContact OE1-OG 2.84Å; E1170-S1175 VanDerWaalsContact OE1-OG 3.11Å
1171G84.2Confident91.1Very high74 Ų7433.8 Ų33.876%0.76321%0.205SC*.THydrogen-bonded Turntrans64-113.9-176.600000112.8
1172S83.6Confident91.2Very high96 Ų9635.9 Ų35.967%0.67122%0.224SC*.THydrogen-bonded Turntrans-97.714.1177.4540000113.5E1170E1170-S1172 PolarHBondContact O-N 3.5Å
1173S88.4Confident91.2Very high25 Ų2538.4 Ų38.418%0.17524%0.235CC..EExtended strand (participates in β ladder)trans-141.5163.9-171.454.40000112.2S1006 E1170S1006-S1173 WeakPolarHBondContact O-CA 3.34Å; E1170-S1173 CarbonylContact C-O 3.57Å; E1170-S1173 PolarHBondContact N-O 2.88Å; E1170-S1173 PolarHBondContact O-N 3.34Å; E1170-S1173 VanDerWaalsContact O-N 3.07Å; E1170-S1173 VanDerWaalsContact O-O 3.12Å; E1170-S1173 PolarHBondContact O-OG 2.66Å
1174I91.2Very high91.3Very high2 Ų239.1 Ų39.11%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-118.2118.6-178-63.5171.4000110.1W1002 L1005 S1006 I1007 Y1008 H1167 T1168W1002-I1174 HydrophobicContact CD2-CD1 4.29Å; W1002-I1174 HydrophobicContact CE3-CD1 3.62Å; W1002-I1174 HydrophobicContact CE3-CG1 4.34Å; W1002-I1174 HydrophobicContact CZ3-CD1 4.12Å; W1002-I1174 HydrophobicContact CZ3-CG1 4.43Å; W1002-I1174 WeakPolarHBondContact O-CD1 3.33Å; L1005-I1174 HydrophobicContact CB-CD1 3.86Å; L1005-I1174 HydrophobicContact CB-CG1 3.9Å; L1005-I1174 HydrophobicContact CD1-CD1 4.06Å; L1005-I1174 HydrophobicContact CD1-CG1 3.92Å; L1005-I1174 HydrophobicContact CG-CD1 4.44Å; S1006-I1174 PolarHBondContact O-N 2.87Å; I1007-I1174 CarbonylContact C-O 3.57Å; I1007-I1174 WeakPolarHBondContact CA-O 2.77Å; I1007-I1174 HydrophobicContact CG1-CB 4.11Å; I1007-I1174 HydrophobicContact CG1-CD1 4.33Å; I1007-I1174 HydrophobicContact CG1-CG2 4.43Å; Y1008-I1174 VanDerWaalsContact CD1-O 3.3Å; Y1008-I1174 WeakPolarHBondContact CD1-O 3.48Å; Y1008-I1174 PolarHBondContact N-O 3.4Å; H1167-I1174 HydrophobicContact CB-CG2 3.67Å; H1167-I1174 WeakPolarHBondContact ND1-CG2 3.36Å; T1168-I1174 WeakPolarHBondContact O-CA 3.41Å
1175S92.8Very high91.3Very high10 Ų1039.1 Ų39.17%0.0724%0.24CC..EExtended strand (participates in β ladder)trans-79120.6165.51770000109.2V1010 H1167 T1168 E1170V1010-S1175 WeakPolarHBondContact CG1-OG 3.44Å; V1010-S1175 WeakPolarHBondContact CG2-OG 3.19Å; H1167-S1175 CarbonylContact C-O 3.51Å; H1167-S1175 WeakPolarHBondContact CA-O 3.27Å; T1168-S1175 PolarHBondContact N-O 2.87Å; T1168-S1175 PolarHBondContact O-N 2.85Å; E1170-S1175 VanDerWaalsContact CD-CB 3.42Å; E1170-S1175 WeakPolarHBondContact OE1-CB 3.41Å; E1170-S1175 PolarHBondContact OE1-OG 2.84Å; E1170-S1175 VanDerWaalsContact OE1-OG 3.11Å
1176A92.3Very high91.3Very high4 Ų438.3 Ų38.33%0.03324%0.237CC..EExtended strand (participates in β ladder)trans-112.7115.6179.900000111I1007 Y1008 D1009 V1010 Y1165I1007-A1176 HydrophobicContact CG2-CB 3.67Å; Y1008-A1176 PolarHBondContact O-N 3.07Å; D1009-A1176 WeakPolarHBondContact CA-O 3.25Å; V1010-A1176 WeakPolarHBondContact CG2-O 3.44Å; V1010-A1176 PolarHBondContact N-O 3.21Å; Y1165-A1176 HydrophobicContact CD1-CB 4.24Å
1177R93.1Very high91.1Very high25 Ų2540.4 Ų40.49%0.09425%0.248CC..EExtended strand (participates in β ladder)trans-104.6116.8172.3179.6-177.179.891.8-9.1109.4V1010 L1014 Y1165 E1166 L1179 E1183V1010-R1177 HydrophobicContact CG2-CB 4Å; L1014-R1177 HydrophobicContact CD1-CB 4.46Å; L1014-R1177 HydrophobicContact CD1-CG 3.76Å; Y1165-R1177 CarbonylContact C-O 3.54Å; Y1165-R1177 VanDerWaalsContact CA-O 3.3Å; Y1165-R1177 WeakPolarHBondContact CA-O 3.3Å; E1166-R1177 HydrophobicContact CB-CB 4.35Å; E1166-R1177 PolarHBondContact N-O 2.87Å; E1166-R1177 PolarHBondContact O-N 3.08Å; E1166-R1177 IonicContact OE2-CZ 2.79Å; E1166-R1177 VanDerWaalsContact OE2-CZ 3.27Å; E1166-R1177 IonicContact OE2-NE 2.68Å; E1166-R1177 PolarHBondContact OE2-NE 2.77Å; E1166-R1177 IonicContact OE2-NH2 3.12Å; E1166-R1177 PolarHBondContact OE2-NH2 3.44Å; R1177-L1179 PolarHBondContact O-N 2.87Å; R1177-E1183 IonicContact CZ-OE1 2.66Å; R1177-E1183 VanDerWaalsContact NH1-CD 3.35Å; R1177-E1183 IonicContact NH1-OE1 3.89Å; R1177-E1183 PolarHBondContact NH1-OE1 3.08Å; R1177-E1183 IonicContact NH1-OE2 3.15Å; R1177-E1183 PolarHBondContact NH1-OE2 3.43Å; R1177-E1183 VanDerWaalsContact NH1-OE2 3.12Å; R1177-E1183 IonicContact NH2-OE1 3.34Å; R1177-E1183 PolarHBondContact NH2-OE1 3.13Å; R1177-E1183 VanDerWaalsContact NH2-OE1 3.14Å
1178K93Very high91.1Very high53 Ų5340.6 Ų40.623%0.2325%0.249CC..EExtended strand (participates in β ladder)trans-65.5131.4171.8-172175168.5179.50109.8T1011 A1163 Y1165 N1216T1011-K1178 HydrophobicContact CG2-CB 3.85Å; T1011-K1178 WeakPolarHBondContact OG1-CB 3.39Å; T1011-K1178 PolarHBondContact OG1-N 2.76Å; A1163-K1178 HydrophobicContact CB-CD 4.29Å; A1163-K1178 HydrophobicContact CB-CG 4.07Å; Y1165-K1178 HydrophobicContact CD1-CB 3.84Å; Y1165-K1178 HydrophobicContact CD1-CG 4.46Å; Y1165-K1178 HydrophobicContact CE1-CB 3.57Å; Y1165-K1178 HydrophobicContact CE1-CD 4.37Å; Y1165-K1178 HydrophobicContact CE1-CG 4.01Å; Y1165-K1178 HydrophobicContact CE2-CG 4.5Å; K1178-N1216 PolarHBondContact NZ-OD1 2.92Å
1179L93.3Very high91Very high8 Ų840.1 Ų40.14%0.04225%0.246CC..PPolyproline II helixtrans-76.2142.2171.1-84.265000109.7L1164 E1166 R1177 E1183 P1185 L1188L1164-L1179 HydrophobicContact CB-CB 4.32Å; L1164-L1179 HydrophobicContact CB-CD2 4.27Å; L1164-L1179 PolarHBondContact O-N 3.24Å; E1166-L1179 HydrophobicContact CB-CD1 3.85Å; E1166-L1179 VanDerWaalsContact N-CD1 3.26Å; R1177-L1179 PolarHBondContact O-N 2.87Å; L1179-E1183 WeakPolarHBondContact CA-OE2 3.43Å; L1179-P1185 HydrophobicContact CD2-CB 4.02Å; L1179-L1188 HydrophobicContact CD1-CD2 4.01Å; L1179-L1188 HydrophobicContact CD2-CD2 3.97Å; L1179-L1188 HydrophobicContact CG-CD2 4.24Å
1180S90.2Very high90.9Very high45 Ų4537.9 Ų37.932%0.31523%0.234SC..PPolyproline II helixtrans-67.1158.3171.6104.50000111S1142 T1182 E1183S1142-S1180 VanDerWaalsContact CB-O 3.31Å; S1142-S1180 WeakPolarHBondContact CB-O 3.49Å; S1142-S1180 PolarHBondContact OG-O 3.22Å; S1180-T1182 PolarHBondContact O-N 2.86Å; S1180-T1182 PolarHBondContact OG-N 2.92Å; S1180-T1182 PolarHBondContact OG-OG1 2.93Å; S1180-E1183 PolarHBondContact N-OE2 3.27Å; S1180-E1183 PolarHBondContact O-N 2.82Å; S1180-E1183 PolarHBondContact OG-N 3.23Å
1181T88Confident91Very high109 Ų10934 Ų3467%0.66922%0.216SC*.SBendtrans-65.4-17.317549.70000113.5T1141T1141-T1181 WeakPolarHBondContact CB-O 3.42Å
1182T89Confident91.4Very high108 Ų10830.9 Ų30.966%0.66318%0.182SC*.SBendtrans-102.5-18.6179.657.70000114S1180S1180-T1182 PolarHBondContact O-N 2.86Å; S1180-T1182 PolarHBondContact OG-N 2.92Å; S1180-T1182 PolarHBondContact OG-OG1 2.93Å
1183E92.9Very high91.8Very high58 Ų5826.3 Ų26.327%0.27115%0.15SC..  trans-62.2138.8171.8-83.3-179.8102.500110.8T1141 S1142 R1177 L1179 S1180T1141-E1183 CarbonylContact C-O 3.59Å; S1142-E1183 WeakPolarHBondContact CB-O 3.47Å; S1142-E1183 PolarHBondContact N-O 3.14Å; S1142-E1183 PolarHBondContact OG-O 3.45Å; R1177-E1183 IonicContact CZ-OE1 2.66Å; R1177-E1183 VanDerWaalsContact NH1-CD 3.35Å; R1177-E1183 IonicContact NH1-OE1 3.89Å; R1177-E1183 PolarHBondContact NH1-OE1 3.08Å; R1177-E1183 IonicContact NH1-OE2 3.15Å; R1177-E1183 PolarHBondContact NH1-OE2 3.43Å; R1177-E1183 VanDerWaalsContact NH1-OE2 3.12Å; R1177-E1183 IonicContact NH2-OE1 3.34Å; R1177-E1183 PolarHBondContact NH2-OE1 3.13Å; R1177-E1183 VanDerWaalsContact NH2-OE1 3.14Å; L1179-E1183 WeakPolarHBondContact CA-OE2 3.43Å; S1180-E1183 PolarHBondContact N-OE2 3.27Å; S1180-E1183 PolarHBondContact O-N 2.82Å; S1180-E1183 PolarHBondContact OG-N 3.23Å
1184C94.3Very high91.7Very high21 Ų2128.9 Ų28.914%0.14216%0.156CC..  trans-97.2117174.3-62.20000110.1S1138 T1140 L1186 L1187 L1188S1138-C1184 VanDerWaalsContact O-CB 3.28Å; S1138-C1184 WeakPolarHBondContact O-CB 3.37Å; S1138-C1184 PolarHBondContact O-SG 3.2Å; T1140-C1184 WeakPolarHBondContact O-CA 3.45Å; T1140-C1184 WeakPolarHBondContact O-CB 3.4Å; T1140-C1184 PolarHBondContact O-SG 2.63Å; C1184-L1186 VanDerWaalsContact C-N 3.25Å; C1184-L1186 PolarHBondContact O-N 2.95Å; C1184-L1187 HydrophobicContact CB-CB 3.99Å; C1184-L1187 WeakPolarHBondContact O-CA 3.49Å; C1184-L1187 VanDerWaalsContact O-CB 3.32Å; C1184-L1187 WeakPolarHBondContact O-CB 3.47Å; C1184-L1187 PolarHBondContact O-N 3.15Å; C1184-L1188 PolarHBondContact O-N 2.97Å
1185P94.8Very high91.6Very high0 Ų032.2 Ų32.20%017%0.173CC..Hα-helixtrans-66.4-22.3-174.725.9-35.3000114L1066 T1140 A1145 L1164 L1179 L1188 L1189 I1211L1066-P1185 HydrophobicContact CD2-CB 3.73Å; L1066-P1185 HydrophobicContact CD2-CG 3.91Å; T1140-P1185 WeakPolarHBondContact O-CD 3.36Å; A1145-P1185 HydrophobicContact CB-CG 4.11Å; L1164-P1185 HydrophobicContact CD1-CB 4.33Å; L1164-P1185 HydrophobicContact CD1-CG 4.1Å; L1179-P1185 HydrophobicContact CD2-CB 4.02Å; P1185-L1188 PolarHBondContact O-N 3.45Å; P1185-L1189 PolarHBondContact O-N 2.88Å; P1185-I1211 HydrophobicContact CB-CD1 3.65Å
1186L93.7Very high91.4Very high1 Ų132.1 Ų32.11%0.00517%0.172CC..Hα-helixtrans-69.7-33.8170.7-164.269.8000112.2L1053 V1136 C1184 L1188 L1189 L1190L1053-L1186 HydrophobicContact CD1-CD1 4.11Å; L1053-L1186 HydrophobicContact CD1-CD2 3.85Å; L1053-L1186 HydrophobicContact CD1-CG 4.21Å; V1136-L1186 HydrophobicContact CG2-CB 4.13Å; V1136-L1186 HydrophobicContact CG2-CD1 4.13Å; V1136-L1186 HydrophobicContact CG2-CD2 4.47Å; V1136-L1186 HydrophobicContact CG2-CG 4.48Å; C1184-L1186 VanDerWaalsContact C-N 3.25Å; C1184-L1186 PolarHBondContact O-N 2.95Å; L1186-L1188 VanDerWaalsContact C-N 3.32Å; L1186-L1189 PolarHBondContact O-N 2.81Å; L1186-L1190 PolarHBondContact O-N 2.86Å; L1186-L1190 VanDerWaalsContact O-N 3.08Å
1187L90.8Very high90.8Very high54 Ų5437.2 Ų37.228%0.28320%0.203SC..Hα-helixtrans-70.9-30.8175.7-159.472.8000111.4L1026 C1184 L1190 N1191L1026-L1187 HydrophobicContact CB-CD2 4.39Å; L1026-L1187 HydrophobicContact CB-CG 4.28Å; L1026-L1187 HydrophobicContact CD2-CD1 3.5Å; L1026-L1187 VanDerWaalsContact CD2-CD1 3.5Å; L1026-L1187 HydrophobicContact CD2-CG 3.92Å; C1184-L1187 HydrophobicContact CB-CB 3.99Å; C1184-L1187 WeakPolarHBondContact O-CA 3.49Å; C1184-L1187 VanDerWaalsContact O-CB 3.32Å; C1184-L1187 WeakPolarHBondContact O-CB 3.47Å; C1184-L1187 PolarHBondContact O-N 3.15Å; L1187-L1190 HydrophobicContact CD1-CD1 4.31Å; L1187-L1190 WeakPolarHBondContact O-CB 3.45Å; L1187-L1190 PolarHBondContact O-N 2.96Å; L1187-N1191 PolarHBondContact O-N 3.33Å
1188L93.2Very high90.5Very high12 Ų1239.4 Ų39.46%0.06322%0.216CC..Hα-helixtrans-64.9-44.7171.4179.258.1000112E1166 L1179 C1184 P1185 L1186 L1190 N1191 W1192 I1211E1166-L1188 HydrophobicContact CB-CD2 4.06Å; E1166-L1188 HydrophobicContact CG-CD2 4.39Å; L1179-L1188 HydrophobicContact CD1-CD2 4.01Å; L1179-L1188 HydrophobicContact CD2-CD2 3.97Å; L1179-L1188 HydrophobicContact CG-CD2 4.24Å; C1184-L1188 PolarHBondContact O-N 2.97Å; P1185-L1188 PolarHBondContact O-N 3.45Å; L1186-L1188 VanDerWaalsContact C-N 3.32Å; L1188-L1190 VanDerWaalsContact C-N 3.29Å; L1188-L1190 PolarHBondContact O-N 2.71Å; L1188-N1191 WeakPolarHBondContact O-CA 3.45Å; L1188-N1191 WeakPolarHBondContact O-CB 3.31Å; L1188-N1191 PolarHBondContact O-N 3.39Å; L1188-W1192 HydrophobicContact CD2-CZ2 4.28Å; L1188-W1192 HydrophobicContact CG-CZ2 4.23Å; L1188-W1192 PolarHBondContact O-N 2.83Å; L1188-I1211 HydrophobicContact CD2-CD1 4.12Å
1189L92.3Very high90.3Very high4 Ų442.4 Ų42.42%0.02123%0.226CC..Hα-helixtrans-63.1-35.6173.7-94.366000112F1044 L1066 P1185 L1186 N1191 W1192 V1193 I1211F1044-L1189 HydrophobicContact CE2-CB 4.19Å; F1044-L1189 HydrophobicContact CE2-CD2 3.92Å; F1044-L1189 HydrophobicContact CZ-CD2 4.31Å; L1066-L1189 HydrophobicContact CD1-CD1 3.73Å; L1066-L1189 HydrophobicContact CD1-CD2 3.54Å; L1066-L1189 HydrophobicContact CD1-CG 4.3Å; P1185-L1189 PolarHBondContact O-N 2.88Å; L1186-L1189 PolarHBondContact O-N 2.81Å; L1189-N1191 VanDerWaalsContact C-N 3.3Å; L1189-N1191 PolarHBondContact O-N 3.44Å; L1189-W1192 HydrophobicContact CD1-CD2 4.4Å; L1189-W1192 HydrophobicContact CD1-CE3 3.93Å; L1189-W1192 HydrophobicContact CD1-CH2 3.83Å; L1189-W1192 HydrophobicContact CD1-CZ2 4.28Å; L1189-W1192 HydrophobicContact CD1-CZ3 3.64Å; L1189-W1192 HydrophobicContact CG-CD2 4.46Å; L1189-W1192 HydrophobicContact CG-CE3 3.82Å; L1189-W1192 HydrophobicContact CG-CZ3 3.89Å; L1189-W1192 WeakPolarHBondContact O-CB 3.49Å; L1189-W1192 PolarHBondContact O-N 2.86Å; L1189-V1193 WeakPolarHBondContact O-CG2 3.3Å; L1189-V1193 PolarHBondContact O-N 2.79Å; L1189-I1211 HydrophobicContact CD1-CD1 3.46Å; L1189-I1211 VanDerWaalsContact CD1-CD1 3.46Å; L1189-I1211 HydrophobicContact CD1-CG1 4.05Å
1190L90.2Very high90Very high0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-63.7-32.8170.4-80.7159000112.7L1026 W1040 L1053 L1062 L1186 L1187 L1188 V1193 R1194L1026-L1190 HydrophobicContact CD2-CB 4.22Å; W1040-L1190 HydrophobicContact CB-CD2 4.34Å; W1040-L1190 HydrophobicContact CE3-CD2 4.33Å; L1053-L1190 HydrophobicContact CD2-CD2 3.91Å; L1053-L1190 HydrophobicContact CD2-CG 4.32Å; L1062-L1190 HydrophobicContact CD1-CD1 3.61Å; L1062-L1190 HydrophobicContact CD1-CD2 4.05Å; L1062-L1190 HydrophobicContact CD1-CG 4.46Å; L1186-L1190 PolarHBondContact O-N 2.86Å; L1186-L1190 VanDerWaalsContact O-N 3.08Å; L1187-L1190 HydrophobicContact CD1-CD1 4.31Å; L1187-L1190 WeakPolarHBondContact O-CB 3.45Å; L1187-L1190 PolarHBondContact O-N 2.96Å; L1188-L1190 VanDerWaalsContact C-N 3.29Å; L1188-L1190 PolarHBondContact O-N 2.71Å; L1190-V1193 PolarHBondContact O-N 2.57Å; L1190-R1194 WeakPolarHBondContact O-CB 3.43Å; L1190-R1194 PolarHBondContact O-N 2.86Å
1191N90.3Very high90Very high4 Ų448.7 Ų48.72%0.02125%0.25CS..Hα-helixtrans-67.7-38171.8-160.538.4000111.8E1023 L1026 L1187 L1188 L1189 V1193 R1194 I1195E1023-N1191 PolarHBondContact O-ND2 3.49Å; L1026-N1191 HydrophobicContact CD1-CB 3.84Å; L1026-N1191 WeakPolarHBondContact CD1-OD1 3.34Å; L1187-N1191 PolarHBondContact O-N 3.33Å; L1188-N1191 WeakPolarHBondContact O-CA 3.45Å; L1188-N1191 WeakPolarHBondContact O-CB 3.31Å; L1188-N1191 PolarHBondContact O-N 3.39Å; L1189-N1191 VanDerWaalsContact C-N 3.3Å; L1189-N1191 PolarHBondContact O-N 3.44Å; N1191-V1193 VanDerWaalsContact C-N 3.32Å; N1191-V1193 PolarHBondContact O-N 3.38Å; N1191-R1194 PolarHBondContact O-N 2.84Å; N1191-R1194 VanDerWaalsContact OD1-CZ 3.26Å; N1191-R1194 PolarHBondContact OD1-NE 2.69Å; N1191-R1194 PolarHBondContact OD1-NH2 2.97Å; N1191-I1195 WeakPolarHBondContact O-CD1 3.41Å; N1191-I1195 VanDerWaalsContact O-CG1 3.29Å; N1191-I1195 WeakPolarHBondContact O-CG1 3.39Å; N1191-I1195 PolarHBondContact O-N 3.09Å
1192W92.6Very high90.2Very high9 Ų943.5 Ų43.53%0.03422%0.219CC..Hα-helixtrans-62.6-39.3172.5-56.4-11.7000111.7E1166 L1188 L1189 S1196 L1205 L1206 K1209 I1211E1166-W1192 HydrophobicContact CG-CZ2 4.09Å; E1166-W1192 PolarHBondContact OE1-NE1 2.95Å; L1188-W1192 HydrophobicContact CD2-CZ2 4.28Å; L1188-W1192 HydrophobicContact CG-CZ2 4.23Å; L1188-W1192 PolarHBondContact O-N 2.83Å; L1189-W1192 HydrophobicContact CD1-CD2 4.4Å; L1189-W1192 HydrophobicContact CD1-CE3 3.93Å; L1189-W1192 HydrophobicContact CD1-CH2 3.83Å; L1189-W1192 HydrophobicContact CD1-CZ2 4.28Å; L1189-W1192 HydrophobicContact CD1-CZ3 3.64Å; L1189-W1192 HydrophobicContact CG-CD2 4.46Å; L1189-W1192 HydrophobicContact CG-CE3 3.82Å; L1189-W1192 HydrophobicContact CG-CZ3 3.89Å; L1189-W1192 WeakPolarHBondContact O-CB 3.49Å; L1189-W1192 PolarHBondContact O-N 2.86Å; W1192-S1196 PolarHBondContact O-N 2.89Å; W1192-S1196 PolarHBondContact O-OG 2.93Å; W1192-L1205 HydrophobicContact CB-CD1 4.41Å; W1192-L1206 HydrophobicContact CE3-CD2 4.22Å; W1192-L1206 HydrophobicContact CZ3-CD2 4.19Å; W1192-K1209 HydrophobicContact CD2-CB 4.37Å; W1192-K1209 HydrophobicContact CD2-CD 4.07Å; W1192-K1209 HydrophobicContact CE3-CB 4.29Å; W1192-K1209 HydrophobicContact CG-CD 4.27Å; W1192-K1209 HydrophobicContact CH2-CB 3.7Å; W1192-K1209 HydrophobicContact CZ2-CB 3.78Å; W1192-K1209 HydrophobicContact CZ2-CD 4.18Å; W1192-K1209 HydrophobicContact CZ3-CB 3.96Å; W1192-I1211 HydrophobicContact CH2-CG1 3.94Å; W1192-I1211 HydrophobicContact CZ2-CG1 4.3Å
1193V91.4Very high90.3Very high0 Ų039.9 Ų39.90%020%0.195CC..Hα-helixtrans-64-45.9171.6175.90000111.3W1040 I1043 F1044 L1189 L1190 N1191 I1195 S1196 F1202W1040-V1193 HydrophobicContact CB-CG1 3.68Å; W1040-V1193 HydrophobicContact CG-CG1 3.98Å; I1043-V1193 HydrophobicContact CB-CG1 3.99Å; I1043-V1193 HydrophobicContact CG2-CG1 3.9Å; F1044-V1193 HydrophobicContact CB-CG2 4.19Å; F1044-V1193 HydrophobicContact CD2-CG2 4.04Å; L1189-V1193 WeakPolarHBondContact O-CG2 3.3Å; L1189-V1193 PolarHBondContact O-N 2.79Å; L1190-V1193 PolarHBondContact O-N 2.57Å; N1191-V1193 VanDerWaalsContact C-N 3.32Å; N1191-V1193 PolarHBondContact O-N 3.38Å; V1193-I1195 VanDerWaalsContact C-N 3.26Å; V1193-I1195 PolarHBondContact O-N 2.83Å; V1193-S1196 WeakPolarHBondContact O-CA 3.26Å; V1193-S1196 VanDerWaalsContact O-CB 3.27Å; V1193-S1196 WeakPolarHBondContact O-CB 3.37Å; V1193-S1196 PolarHBondContact O-N 3.36Å; V1193-S1196 VanDerWaalsContact O-O 3.06Å; V1193-F1202 HydrophobicContact CG2-CD2 3.72Å; V1193-F1202 HydrophobicContact CG2-CE1 4.29Å; V1193-F1202 HydrophobicContact CG2-CE2 3.37Å; V1193-F1202 HydrophobicContact CG2-CG 4.33Å; V1193-F1202 HydrophobicContact CG2-CZ 3.68Å
1194R87.5Confident90.2Very high80 Ų8042 Ų4230%0.30221%0.205SC..Hα-helixtrans-59.1-35.3178.9-177.4-173.170.7822.4113.2E1023 L1026 W1040 L1190 N1191 S1196E1023-R1194 PolarHBondContact O-NH2 3.31Å; L1026-R1194 HydrophobicContact CD1-CB 4.33Å; W1040-R1194 HydrophobicContact CH2-CB 4.16Å; W1040-R1194 HydrophobicContact CH2-CG 3.85Å; W1040-R1194 HydrophobicContact CZ2-CB 3.98Å; W1040-R1194 HydrophobicContact CZ2-CG 3.59Å; L1190-R1194 WeakPolarHBondContact O-CB 3.43Å; L1190-R1194 PolarHBondContact O-N 2.86Å; N1191-R1194 PolarHBondContact O-N 2.84Å; N1191-R1194 VanDerWaalsContact OD1-CZ 3.26Å; N1191-R1194 PolarHBondContact OD1-NE 2.69Å; N1191-R1194 PolarHBondContact OD1-NH2 2.97Å; R1194-S1196 VanDerWaalsContact C-N 3.29Å
1195I88.6Confident90Very high72 Ų7242.2 Ų42.237%0.36920%0.204SC..Hα-helixtrans-80.6-14.2177.6-63.7163.7000111.2N1191 V1193 Q1201N1191-I1195 WeakPolarHBondContact O-CD1 3.41Å; N1191-I1195 VanDerWaalsContact O-CG1 3.29Å; N1191-I1195 WeakPolarHBondContact O-CG1 3.39Å; N1191-I1195 PolarHBondContact O-N 3.09Å; V1193-I1195 VanDerWaalsContact C-N 3.26Å; V1193-I1195 PolarHBondContact O-N 2.83Å; I1195-Q1201 PolarHBondContact O-NE2 2.79Å
1196S88.2Confident89.9Confident8 Ų843 Ų436%0.05621%0.209CC..  trans-84.5126.1172.8-55.50000111.1W1192 V1193 R1194 N1198 F1202 L1205W1192-S1196 PolarHBondContact O-N 2.89Å; W1192-S1196 PolarHBondContact O-OG 2.93Å; V1193-S1196 WeakPolarHBondContact O-CA 3.26Å; V1193-S1196 VanDerWaalsContact O-CB 3.27Å; V1193-S1196 WeakPolarHBondContact O-CB 3.37Å; V1193-S1196 PolarHBondContact O-N 3.36Å; V1193-S1196 VanDerWaalsContact O-O 3.06Å; R1194-S1196 VanDerWaalsContact C-N 3.29Å; S1196-N1198 VanDerWaalsContact C-N 3.34Å; S1196-F1202 WeakPolarHBondContact OG-CA 3.46Å; S1196-F1202 WeakPolarHBondContact OG-CB 3.42Å; S1196-F1202 PolarHBondContact OG-N 3.25Å; S1196-L1205 WeakPolarHBondContact OG-CD1 3.43Å
1197T80.1Confident89.6Confident111 Ų11148.6 Ų48.668%0.68123%0.233SC*.SBendtrans-77.2-22.5172.961.30000112.9Q1201T1197-Q1201 PolarHBondContact OG1-OE1 3.43Å
1198N86.1Confident89.6Confident71 Ų7149.6 Ų49.638%0.3824%0.236SC..SBendtrans-155174.4-17868.646.7000112.1S1196 E1200 Q1201 F1202S1196-N1198 VanDerWaalsContact C-N 3.34Å; N1198-E1200 PolarHBondContact O-N 3.37Å; N1198-E1200 WeakPolarHBondContact OD1-CA 3.49Å; N1198-E1200 PolarHBondContact OD1-N 3.5Å; N1198-Q1201 PolarHBondContact O-N 2.71Å; N1198-Q1201 PolarHBondContact OD1-N 3.42Å; N1198-F1202 PolarHBondContact O-N 3.41Å; N1198-F1202 VanDerWaalsContact O-N 3.16Å
1199R88.1Confident89.6Confident116 Ų11650.9 Ų50.944%0.43824%0.241SC..Hα-helixtrans-56.8-42.1178.4179.6-172.167.4117.46113.8F1202 L1203R1199-F1202 PolarHBondContact O-N 3Å; R1199-L1203 HydrophobicContact CG-CD1 4.38Å; R1199-L1203 WeakPolarHBondContact O-CG 3.3Å; R1199-L1203 PolarHBondContact O-N 3.47Å
1200E88.1Confident89.6Confident110 Ų11051.6 Ų51.651%0.51424%0.243SC..Hα-helixtrans-71.3-40.4-176-78.4138.1-137.800111.7N1198 F1202 L1203 E1204N1198-E1200 PolarHBondContact O-N 3.37Å; N1198-E1200 WeakPolarHBondContact OD1-CA 3.49Å; N1198-E1200 PolarHBondContact OD1-N 3.5Å; E1200-F1202 VanDerWaalsContact C-N 3.3Å; E1200-F1202 PolarHBondContact O-N 2.97Å; E1200-L1203 WeakPolarHBondContact O-CB 3.32Å; E1200-L1203 PolarHBondContact O-N 3Å; E1200-L1203 VanDerWaalsContact O-N 3.13Å; E1200-E1204 PolarHBondContact O-N 2.69Å
1201Q90.2Very high89.8Confident74 Ų7451.7 Ų51.735%0.34624%0.244SC..Hα-helixtrans-61.3-39.4171.8-168.9-178.1-2.700111.7I1195 T1197 N1198 L1203 E1204 L1205I1195-Q1201 PolarHBondContact O-NE2 2.79Å; T1197-Q1201 PolarHBondContact OG1-OE1 3.43Å; N1198-Q1201 PolarHBondContact O-N 2.71Å; N1198-Q1201 PolarHBondContact OD1-N 3.42Å; Q1201-L1203 VanDerWaalsContact C-N 3.33Å; Q1201-L1203 PolarHBondContact O-N 3.42Å; Q1201-E1204 PolarHBondContact O-N 2.98Å; Q1201-L1205 WeakPolarHBondContact O-CG 3.25Å; Q1201-L1205 PolarHBondContact O-N 3.13Å
1202F92.3Very high89.9Confident1 Ų151.9 Ų51.90%0.00425%0.246CC..Hα-helixtrans-64.5-36.4173.9179.3-121.3000112.4I1043 F1044 N1047 V1193 S1196 N1198 R1199 E1200 L1205 L1206I1043-F1202 HydrophobicContact CG2-CB 3.96Å; I1043-F1202 HydrophobicContact CG2-CD1 4.16Å; I1043-F1202 HydrophobicContact CG2-CG 4.15Å; F1044-F1202 HydrophobicContact CD2-CE1 4.37Å; F1044-F1202 AromaticContact CD2-CZ 3.82Å; F1044-F1202 HydrophobicContact CD2-CZ 3.82Å; F1044-F1202 HydrophobicContact CE2-CZ 4.29Å; F1044-F1202 HydrophobicContact CG-CZ 4.39Å; N1047-F1202 HydrophobicContact CB-CE1 4.48Å; V1193-F1202 HydrophobicContact CG2-CD2 3.72Å; V1193-F1202 HydrophobicContact CG2-CE1 4.29Å; V1193-F1202 HydrophobicContact CG2-CE2 3.37Å; V1193-F1202 HydrophobicContact CG2-CG 4.33Å; V1193-F1202 HydrophobicContact CG2-CZ 3.68Å; S1196-F1202 WeakPolarHBondContact OG-CA 3.46Å; S1196-F1202 WeakPolarHBondContact OG-CB 3.42Å; S1196-F1202 PolarHBondContact OG-N 3.25Å; N1198-F1202 PolarHBondContact O-N 3.41Å; N1198-F1202 VanDerWaalsContact O-N 3.16Å; R1199-F1202 PolarHBondContact O-N 3Å; E1200-F1202 VanDerWaalsContact C-N 3.3Å; E1200-F1202 PolarHBondContact O-N 2.97Å; F1202-L1205 PolarHBondContact O-N 2.88Å; F1202-L1206 HydrophobicContact CD1-CD1 4.11Å; F1202-L1206 HydrophobicContact CD2-CG 4.45Å; F1202-L1206 HydrophobicContact CE1-CD1 3.55Å; F1202-L1206 HydrophobicContact CE1-CG 4.23Å; F1202-L1206 HydrophobicContact CE2-CD1 4.23Å; F1202-L1206 HydrophobicContact CE2-CD2 4.21Å; F1202-L1206 HydrophobicContact CE2-CG 4.02Å; F1202-L1206 HydrophobicContact CZ-CD1 3.63Å; F1202-L1206 HydrophobicContact CZ-CD2 4.1Å; F1202-L1206 HydrophobicContact CZ-CG 3.91Å; F1202-L1206 WeakPolarHBondContact O-CG 3.42Å; F1202-L1206 PolarHBondContact O-N 3.27Å
1203L90.6Very high90Very high31 Ų3151.7 Ų51.716%0.16225%0.245CC..Hα-helixtrans-68.1-39.9175.3-69.4174.6000112.8N1047 P1048 R1199 E1200 Q1201 L1206 K1207N1047-L1203 HydrophobicContact CB-CD2 4.01Å; P1048-L1203 HydrophobicContact CG-CD2 4.28Å; R1199-L1203 HydrophobicContact CG-CD1 4.38Å; R1199-L1203 WeakPolarHBondContact O-CG 3.3Å; R1199-L1203 PolarHBondContact O-N 3.47Å; E1200-L1203 WeakPolarHBondContact O-CB 3.32Å; E1200-L1203 PolarHBondContact O-N 3Å; E1200-L1203 VanDerWaalsContact O-N 3.13Å; Q1201-L1203 VanDerWaalsContact C-N 3.33Å; Q1201-L1203 PolarHBondContact O-N 3.42Å; L1203-L1206 PolarHBondContact O-N 2.91Å; L1203-K1207 WeakPolarHBondContact O-CG 3.22Å; L1203-K1207 PolarHBondContact O-N 3.37Å; L1203-K1207 VanDerWaalsContact O-N 3.08Å
1204E89.9Confident90Very high104 Ų10453.1 Ų53.149%0.48625%0.252SS..Hα-helixtrans-65.5-38.8172.1-63.7-47.8125.300111.6E1200 Q1201 L1206 K1207 Q1208E1200-E1204 PolarHBondContact O-N 2.69Å; Q1201-E1204 PolarHBondContact O-N 2.98Å; E1204-L1206 VanDerWaalsContact C-N 3.34Å; E1204-L1206 PolarHBondContact O-N 3.44Å; E1204-K1207 WeakPolarHBondContact O-CB 3.49Å; E1204-K1207 PolarHBondContact O-N 2.96Å; E1204-K1207 VanDerWaalsContact O-N 3.13Å; E1204-K1207 IonicContact OE1-NZ 3.21Å; E1204-K1207 PolarHBondContact OE1-NZ 3.49Å; E1204-K1207 WeakPolarHBondContact OE2-CD 3.44Å; E1204-K1207 IonicContact OE2-NZ 3.86Å; E1204-K1207 PolarHBondContact OE2-NZ 3.02Å; E1204-Q1208 WeakPolarHBondContact O-CB 3.24Å; E1204-Q1208 PolarHBondContact O-N 3.11Å
1205L91.7Very high90Very high24 Ų2450.2 Ų50.213%0.12624%0.241CC..Hα-helixtrans-62.8-36.9171.6-73.1-176.6000112.7W1192 S1196 Q1201 F1202 K1207 Q1208 K1209W1192-L1205 HydrophobicContact CB-CD1 4.41Å; S1196-L1205 WeakPolarHBondContact OG-CD1 3.43Å; Q1201-L1205 WeakPolarHBondContact O-CG 3.25Å; Q1201-L1205 PolarHBondContact O-N 3.13Å; F1202-L1205 PolarHBondContact O-N 2.88Å; L1205-K1207 VanDerWaalsContact C-N 3.28Å; L1205-K1207 PolarHBondContact O-N 3.39Å; L1205-Q1208 PolarHBondContact O-N 2.64Å; L1205-K1209 HydrophobicContact CD2-CD 4.42Å; L1205-K1209 WeakPolarHBondContact O-CA 3.08Å; L1205-K1209 WeakPolarHBondContact O-CB 3.31Å; L1205-K1209 PolarHBondContact O-N 3.09Å
1206L91.2Very high89.9Confident17 Ų1747.8 Ų47.89%0.08923%0.229CC..Hα-helixtrans-70.3-20.4174.1-74.1177.9000113.8N1047 L1049 W1192 F1202 L1203 E1204N1047-L1206 HydrophobicContact CB-CD1 4.18Å; L1049-L1206 HydrophobicContact CD1-CB 4.39Å; L1049-L1206 HydrophobicContact CD1-CD1 4.29Å; W1192-L1206 HydrophobicContact CE3-CD2 4.22Å; W1192-L1206 HydrophobicContact CZ3-CD2 4.19Å; F1202-L1206 HydrophobicContact CD1-CD1 4.11Å; F1202-L1206 HydrophobicContact CD2-CG 4.45Å; F1202-L1206 HydrophobicContact CE1-CD1 3.55Å; F1202-L1206 HydrophobicContact CE1-CG 4.23Å; F1202-L1206 HydrophobicContact CE2-CD1 4.23Å; F1202-L1206 HydrophobicContact CE2-CD2 4.21Å; F1202-L1206 HydrophobicContact CE2-CG 4.02Å; F1202-L1206 HydrophobicContact CZ-CD1 3.63Å; F1202-L1206 HydrophobicContact CZ-CD2 4.1Å; F1202-L1206 HydrophobicContact CZ-CG 3.91Å; F1202-L1206 WeakPolarHBondContact O-CG 3.42Å; F1202-L1206 PolarHBondContact O-N 3.27Å; L1203-L1206 PolarHBondContact O-N 2.91Å; E1204-L1206 VanDerWaalsContact C-N 3.34Å; E1204-L1206 PolarHBondContact O-N 3.44Å
1207K88.5Confident89.1Confident118 Ų11854.1 Ų54.151%0.51326%0.262SS..Hα-helixtrans-79.5-41.7167.4-66.7168.7-176.2173.20111.4W1002 L1203 E1204 L1205W1002-K1207 VanDerWaalsContact CZ2-O 3.31Å; W1002-K1207 WeakPolarHBondContact CZ2-O 3.44Å; L1203-K1207 WeakPolarHBondContact O-CG 3.22Å; L1203-K1207 PolarHBondContact O-N 3.37Å; L1203-K1207 VanDerWaalsContact O-N 3.08Å; E1204-K1207 WeakPolarHBondContact O-CB 3.49Å; E1204-K1207 PolarHBondContact O-N 2.96Å; E1204-K1207 VanDerWaalsContact O-N 3.13Å; E1204-K1207 IonicContact OE1-NZ 3.21Å; E1204-K1207 PolarHBondContact OE1-NZ 3.49Å; E1204-K1207 WeakPolarHBondContact OE2-CD 3.44Å; E1204-K1207 IonicContact OE2-NZ 3.86Å; E1204-K1207 PolarHBondContact OE2-NZ 3.02Å; L1205-K1207 VanDerWaalsContact C-N 3.28Å; L1205-K1207 PolarHBondContact O-N 3.39Å
1208Q90.3Very high88.4Confident76 Ų7652.3 Ų52.336%0.35526%0.259SS..Hα-helixtrans-80.3-25.5-174.9-162.5-169.54.900113.8W1002 T1168 L1169 E1204 L1205W1002-Q1208 WeakPolarHBondContact CH2-O 3.48Å; T1168-Q1208 HydrophobicContact CG2-CG 4.47Å; L1169-Q1208 HydrophobicContact CB-CG 3.92Å; L1169-Q1208 WeakPolarHBondContact CB-O 3.36Å; L1169-Q1208 PolarHBondContact N-O 3.44Å; L1169-Q1208 WeakPolarHBondContact O-CG 3.48Å; L1169-Q1208 PolarHBondContact O-NE2 3.33Å; E1204-Q1208 WeakPolarHBondContact O-CB 3.24Å; E1204-Q1208 PolarHBondContact O-N 3.11Å; L1205-Q1208 PolarHBondContact O-N 2.64Å
1209K93.3Very high87.4Confident38 Ų3851.2 Ų51.217%0.16526%0.256CS..EExtended strand (participates in β ladder)trans-123.4140.2-175.8-69.2177.2166.9-760112.5E1166 H1167 T1168 W1192 L1205E1166-K1209 IonicContact OE1-NZ 2.63Å; E1166-K1209 PolarHBondContact OE1-NZ 3.27Å; H1167-K1209 VanDerWaalsContact O-CA 3.26Å; H1167-K1209 WeakPolarHBondContact O-CA 3.39Å; T1168-K1209 HydrophobicContact CG2-CG 3.97Å; T1168-K1209 PolarHBondContact OG1-NZ 3.1Å; W1192-K1209 HydrophobicContact CD2-CB 4.37Å; W1192-K1209 HydrophobicContact CD2-CD 4.07Å; W1192-K1209 HydrophobicContact CE3-CB 4.29Å; W1192-K1209 HydrophobicContact CG-CD 4.27Å; W1192-K1209 HydrophobicContact CH2-CB 3.7Å; W1192-K1209 HydrophobicContact CZ2-CB 3.78Å; W1192-K1209 HydrophobicContact CZ2-CD 4.18Å; W1192-K1209 HydrophobicContact CZ3-CB 3.96Å; L1205-K1209 HydrophobicContact CD2-CD 4.42Å; L1205-K1209 WeakPolarHBondContact O-CA 3.08Å; L1205-K1209 WeakPolarHBondContact O-CB 3.31Å; L1205-K1209 PolarHBondContact O-N 3.09Å
1210R92.8Very high86.2Confident19 Ų1953 Ų537%0.07227%0.274CS..EExtended strand (participates in β ladder)trans-140.6138.9-179.6-63.7-174.9-179.2-178.70110.5D998 W1002 Y1069 H1167 V1212D998-R1210 PolarHBondContact O-NH1 2.89Å; W1002-R1210 HydrophobicContact CE3-CG 4.4Å; W1002-R1210 VanDerWaalsContact CG-NH1 3.28Å; W1002-R1210 HydrophobicContact CH2-CB 4.35Å; W1002-R1210 HydrophobicContact CH2-CG 3.84Å; W1002-R1210 HydrophobicContact CZ2-CG 4.23Å; W1002-R1210 HydrophobicContact CZ3-CB 4.11Å; W1002-R1210 HydrophobicContact CZ3-CG 3.93Å; Y1069-R1210 HydrophobicContact CD2-CB 3.82Å; Y1069-R1210 HydrophobicContact CD2-CG 4.1Å; Y1069-R1210 HydrophobicContact CE2-CB 3.91Å; Y1069-R1210 HydrophobicContact CE2-CG 3.71Å; H1167-R1210 PolarHBondContact N-O 2.74Å; H1167-R1210 PolarHBondContact O-N 2.73Å; R1210-V1212 HydrophobicContact CB-CG2 4.18Å
1211I94.7Very high85.6Confident3 Ų352 Ų522%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-87.9123.9166.1-62.9-167.2000108.4L1066 I1068 Y1069 L1164 Y1165 P1185 L1188 L1189 W1192L1066-I1211 HydrophobicContact CD1-CD1 4.01Å; L1066-I1211 HydrophobicContact CD2-CD1 4.34Å; I1068-I1211 HydrophobicContact CG1-CG2 4.27Å; Y1069-I1211 PolarHBondContact N-O 3.02Å; L1164-I1211 HydrophobicContact CB-CG2 4.32Å; L1164-I1211 HydrophobicContact CD1-CG2 4.36Å; L1164-I1211 HydrophobicContact CD2-CG2 4.15Å; Y1165-I1211 WeakPolarHBondContact O-CA 3.32Å; P1185-I1211 HydrophobicContact CB-CD1 3.65Å; L1188-I1211 HydrophobicContact CD2-CD1 4.12Å; L1189-I1211 HydrophobicContact CD1-CD1 3.46Å; L1189-I1211 VanDerWaalsContact CD1-CD1 3.46Å; L1189-I1211 HydrophobicContact CD1-CG1 4.05Å; W1192-I1211 HydrophobicContact CH2-CG1 3.94Å; W1192-I1211 HydrophobicContact CZ2-CG1 4.3Å
1212V92.8Very high84.9Confident8 Ų851.4 Ų51.45%0.04827%0.269CS..EExtended strand (participates in β ladder)trans-124.7126.2-172.9-167.10000110.5Y1069 N1071 L1164 Y1165 H1167 R1210 Q1214Y1069-V1212 CarbonylContact O-C 3.51Å; Y1069-V1212 WeakPolarHBondContact O-CA 3.44Å; N1071-V1212 HydrophobicContact CB-CG1 3.91Å; L1164-V1212 CarbonylContact C-O 3.58Å; L1164-V1212 WeakPolarHBondContact CA-O 3.37Å; Y1165-V1212 PolarHBondContact N-O 2.82Å; Y1165-V1212 PolarHBondContact O-N 2.78Å; H1167-V1212 HydrophobicContact CB-CG2 4.11Å; R1210-V1212 HydrophobicContact CB-CG2 4.18Å; V1212-Q1214 HydrophobicContact CB-CG 4.45Å; V1212-Q1214 HydrophobicContact CG1-CG 3.83Å
1213L93.3Very high84.5Confident5 Ų558.1 Ų58.13%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-80122.7166.1-176.473.3000109.1I1068 Y1069 I1070 N1071 I1146 L1149 F1162 L1164I1068-L1213 HydrophobicContact CG2-CB 3.95Å; Y1069-L1213 PolarHBondContact O-N 2.75Å; I1070-L1213 HydrophobicContact CG2-CD2 4.48Å; N1071-L1213 PolarHBondContact N-O 3.4Å; I1146-L1213 HydrophobicContact CG1-CD1 3.89Å; I1146-L1213 HydrophobicContact CG2-CD1 4.31Å; L1149-L1213 HydrophobicContact CD1-CD2 4.2Å; F1162-L1213 HydrophobicContact CB-CD1 3.86Å; L1164-L1213 HydrophobicContact CD2-CB 4.08Å; L1164-L1213 HydrophobicContact CD2-CD1 3.9Å
1214Q90.9Very high84.1Confident30 Ų3063.5 Ų63.514%0.1432%0.317CS..EExtended strand (participates in β ladder)trans-131.8169.9175.6-55.9-159.67.400111.2N1071 F1162 A1163 Y1165 H1167 V1212N1071-Q1214 HydrophobicContact CB-CG 4.28Å; F1162-Q1214 CarbonylContact C-O 3.46Å; F1162-Q1214 WeakPolarHBondContact CA-O 3.34Å; F1162-Q1214 WeakPolarHBondContact CB-O 3.5Å; A1163-Q1214 PolarHBondContact N-O 2.88Å; A1163-Q1214 PolarHBondContact O-N 2.89Å; Y1165-Q1214 HydrophobicContact CD2-CB 3.97Å; Y1165-Q1214 HydrophobicContact CD2-CG 4.08Å; Y1165-Q1214 HydrophobicContact CE2-CB 3.93Å; Y1165-Q1214 HydrophobicContact CE2-CG 4.49Å; H1167-Q1214 PolarHBondContact CE1-NE2 3.22Å; H1167-Q1214 PolarHBondContact NE2-NE2 2.84Å; V1212-Q1214 HydrophobicContact CB-CG 4.45Å; V1212-Q1214 HydrophobicContact CG1-CG 3.83Å
1215E88.2Confident83.6Confident18 Ų1863.8 Ų63.88%0.08432%0.321CS..EExtended strand (participates in β ladder)trans-68139.2165.4-64.5176.6-116.400110.1L1072 I1073 K1074 K1161 F1162 D1217L1072-E1215 HydrophobicContact CD2-CG 4.13Å; I1073-E1215 PolarHBondContact N-OE1 2.62Å; K1074-E1215 WeakPolarHBondContact CB-OE1 3.38Å; K1074-E1215 WeakPolarHBondContact CD-OE2 3.12Å; K1074-E1215 WeakPolarHBondContact CE-OE2 3.26Å; K1074-E1215 WeakPolarHBondContact CG-OE1 3.31Å; K1074-E1215 VanDerWaalsContact CG-OE2 3.26Å; K1074-E1215 WeakPolarHBondContact CG-OE2 3.43Å; K1074-E1215 PolarHBondContact N-OE1 2.82Å; K1074-E1215 IonicContact NZ-OE1 3.27Å; K1074-E1215 IonicContact NZ-OE2 3.14Å; K1074-E1215 PolarHBondContact NZ-OE2 2.82Å; K1161-E1215 CarbonylContact O-C 3.54Å; K1161-E1215 WeakPolarHBondContact O-CA 3.5Å; F1162-E1215 HydrophobicContact CE1-CG 4.48Å; E1215-D1217 PolarHBondContact O-N 2.85Å
1216N86.9Confident83.3Confident21 Ų2166.1 Ų66.111%0.11233%0.331CS..  trans-92.587.5179.8174.130.9000109.2R1160 K1161 A1163 K1178 A1218 C1219R1160-N1216 PolarHBondContact O-ND2 3.36Å; K1161-N1216 PolarHBondContact O-N 3.33Å; A1163-N1216 HydrophobicContact CB-CB 4.1Å; K1178-N1216 PolarHBondContact NZ-OD1 2.92Å; N1216-A1218 PolarHBondContact ND2-O 3.47Å; N1216-A1218 PolarHBondContact O-N 3.07Å; N1216-A1218 PolarHBondContact OD1-N 2.91Å; N1216-A1218 PolarHBondContact OD1-O 2.82Å; N1216-C1219 HydrophobicContact CB-CB 4.43Å; N1216-C1219 WeakPolarHBondContact ND2-CA 2.94Å; N1216-C1219 WeakPolarHBondContact ND2-CB 3.38Å; N1216-C1219 VanDerWaalsContact O-CB 3.25Å; N1216-C1219 WeakPolarHBondContact O-CB 3.44Å; N1216-C1219 PolarHBondContact O-N 3.22Å
1217D71.2Confident83.1Confident141 Ų14168.9 Ų68.975%0.75435%0.348SS*.THydrogen-bonded Turntrans-63.2-22.4177.1-67.4-36.3000112.2K1074 E1215 C1219K1074-D1217 IonicContact NZ-OD1 2.84Å; E1215-D1217 PolarHBondContact O-N 2.85Å; D1217-C1219 VanDerWaalsContact C-N 3.26Å; D1217-C1219 PolarHBondContact O-N 2.84Å
1218A65.1Low83.1Confident73 Ų7368.8 Ų68.860%0.60336%0.358SS*.THydrogen-bonded Turntrans-89.741.2169.200000112.5N1216N1216-A1218 PolarHBondContact ND2-O 3.47Å; N1216-A1218 PolarHBondContact O-N 3.07Å; N1216-A1218 PolarHBondContact OD1-N 2.91Å; N1216-A1218 PolarHBondContact OD1-O 2.82Å
1219C65.1Low83.2Confident49 Ų4968.5 Ų68.533%0.33137%0.368SS..  trans-90.2100.8168.2-171.30000109.3R1160 N1216 D1217 I1221R1160-C1219 PolarHBondContact O-SG 2.84Å; N1216-C1219 HydrophobicContact CB-CB 4.43Å; N1216-C1219 WeakPolarHBondContact ND2-CA 2.94Å; N1216-C1219 WeakPolarHBondContact ND2-CB 3.38Å; N1216-C1219 VanDerWaalsContact O-CB 3.25Å; N1216-C1219 WeakPolarHBondContact O-CB 3.44Å; N1216-C1219 PolarHBondContact O-N 3.22Å; D1217-C1219 VanDerWaalsContact C-N 3.26Å; D1217-C1219 PolarHBondContact O-N 2.84Å; C1219-I1221 PolarHBondContact O-N 3.49Å
1220D64.1Low83.1Confident152 Ų15270.9 Ų70.981%0.81338%0.38SS*.  trans-51.5127.7168.5-80.7-39.7000110E1222D1220-E1222 PolarHBondContact O-N 2.81Å
1221I75.3Confident83.2Confident90 Ų9072.4 Ų72.446%0.46239%0.389SS..  trans-70.7113.9178.1-60.8175.8000107.5C1219 W1223 F1226C1219-I1221 PolarHBondContact O-N 3.49Å; I1221-W1223 HydrophobicContact CB-CD2 4.28Å; I1221-W1223 HydrophobicContact CB-CZ2 4.09Å; I1221-W1223 HydrophobicContact CD1-CH2 4.04Å; I1221-W1223 HydrophobicContact CD1-CZ2 3.83Å; I1221-W1223 HydrophobicContact CG2-CD2 3.69Å; I1221-W1223 HydrophobicContact CG2-CE3 3.9Å; I1221-W1223 HydrophobicContact CG2-CG 4.18Å; I1221-W1223 HydrophobicContact CG2-CH2 4.22Å; I1221-W1223 HydrophobicContact CG2-CZ2 4.02Å; I1221-W1223 HydrophobicContact CG2-CZ3 4.16Å; I1221-W1223 PolarHBondContact O-N 2.9Å; I1221-F1226 HydrophobicContact CG2-CE2 3.65Å; I1221-F1226 HydrophobicContact CG2-CZ 4.29Å
1222E75.2Confident83.1Confident61 Ų6175.9 Ų75.929%0.28541%0.411SS..  trans-73.778.3172.8-64.4-144.7123.700109.6R1160 D1220 K1224 D1225R1160-E1222 IonicContact CZ-OE1 2.76Å; R1160-E1222 IonicContact CZ-OE2 2.77Å; R1160-E1222 IonicContact NH1-OE1 3.8Å; R1160-E1222 PolarHBondContact NH1-OE1 3.11Å; R1160-E1222 IonicContact NH1-OE2 3.35Å; R1160-E1222 PolarHBondContact NH1-OE2 3.26Å; R1160-E1222 IonicContact NH2-OE1 3.92Å; R1160-E1222 IonicContact NH2-OE2 2.66Å; R1160-E1222 PolarHBondContact NH2-OE2 3.37Å; D1220-E1222 PolarHBondContact O-N 2.81Å; E1222-K1224 HydrophobicContact CB-CG 4.42Å; E1222-K1224 PolarHBondContact O-N 3.19Å; E1222-K1224 IonicContact OE1-NZ 2.68Å; E1222-K1224 PolarHBondContact OE1-NZ 3.43Å; E1222-K1224 VanDerWaalsContact OE2-CE 3.24Å; E1222-K1224 WeakPolarHBondContact OE2-CE 3.31Å; E1222-K1224 IonicContact OE2-NZ 3.71Å; E1222-K1224 PolarHBondContact OE2-NZ 2.77Å; E1222-D1225 WeakPolarHBondContact O-CB 3.32Å; E1222-D1225 PolarHBondContact O-N 3.37Å
1223W83Confident83.1Confident142 Ų14279 Ų7954%0.53843%0.427SS..G310 helixtrans-53-18.8-176.8-63.2103.5000115I1221 D1225 L1231 F1234I1221-W1223 HydrophobicContact CB-CD2 4.28Å; I1221-W1223 HydrophobicContact CB-CZ2 4.09Å; I1221-W1223 HydrophobicContact CD1-CH2 4.04Å; I1221-W1223 HydrophobicContact CD1-CZ2 3.83Å; I1221-W1223 HydrophobicContact CG2-CD2 3.69Å; I1221-W1223 HydrophobicContact CG2-CE3 3.9Å; I1221-W1223 HydrophobicContact CG2-CG 4.18Å; I1221-W1223 HydrophobicContact CG2-CH2 4.22Å; I1221-W1223 HydrophobicContact CG2-CZ2 4.02Å; I1221-W1223 HydrophobicContact CG2-CZ3 4.16Å; I1221-W1223 PolarHBondContact O-N 2.9Å; W1223-D1225 VanDerWaalsContact C-N 3.28Å; W1223-D1225 PolarHBondContact O-N 2.79Å; W1223-L1231 HydrophobicContact CE3-CD2 3.77Å; W1223-L1231 HydrophobicContact CZ3-CD2 4.45Å; W1223-F1234 HydrophobicContact CZ3-CD2 4.33Å
1224K81.9Confident83.2Confident145 Ų14582.3 Ų82.363%0.6344%0.442SS*.G310 helixtrans-68.6-21.217478.8-162.8-177.7-163.70113.8E1222 F1226E1222-K1224 HydrophobicContact CB-CG 4.42Å; E1222-K1224 PolarHBondContact O-N 3.19Å; E1222-K1224 IonicContact OE1-NZ 2.68Å; E1222-K1224 PolarHBondContact OE1-NZ 3.43Å; E1222-K1224 VanDerWaalsContact OE2-CE 3.24Å; E1222-K1224 WeakPolarHBondContact OE2-CE 3.31Å; E1222-K1224 IonicContact OE2-NZ 3.71Å; E1222-K1224 PolarHBondContact OE2-NZ 2.77Å; K1224-F1226 VanDerWaalsContact C-N 3.31Å
1225D80.7Confident83.4Confident110 Ų11085.9 Ų85.959%0.58846%0.461SS*.G310 helixtrans-83.6-11.8-175.1-65.5-0.2000111.7E1222 W1223E1222-D1225 WeakPolarHBondContact O-CB 3.32Å; E1222-D1225 PolarHBondContact O-N 3.37Å; W1223-D1225 VanDerWaalsContact C-N 3.28Å; W1223-D1225 PolarHBondContact O-N 2.79Å
1226F85Confident83.7Confident72 Ų7292 Ų9232%0.31648%0.483SS..SBendtrans-93.6144.8175.9-61.3-89.4000111.3I1221 K1224 E1230 L1231 F1234I1221-F1226 HydrophobicContact CG2-CE2 3.65Å; I1221-F1226 HydrophobicContact CG2-CZ 4.29Å; K1224-F1226 VanDerWaalsContact C-N 3.31Å; F1226-E1230 HydrophobicContact CB-CB 4.34Å; F1226-L1231 HydrophobicContact CB-CD2 3.91Å; F1226-L1231 HydrophobicContact CB-CG 3.96Å; F1226-L1231 HydrophobicContact CG-CD2 4.48Å; F1226-F1234 AromaticContact CD1-CE2 3.54Å; F1226-F1234 HydrophobicContact CD1-CE2 3.54Å; F1226-F1234 AromaticContact CD1-CZ 3.88Å; F1226-F1234 HydrophobicContact CD1-CZ 3.88Å; F1226-F1234 AromaticContact CE1-CE2 3.8Å; F1226-F1234 HydrophobicContact CE1-CE2 3.8Å; F1226-F1234 AromaticContact CE1-CZ 3.81Å; F1226-F1234 HydrophobicContact CE1-CZ 3.81Å; F1226-F1234 HydrophobicContact CG-CE2 4.02Å; F1226-F1234 HydrophobicContact CZ-CE2 4.48Å
1227T87.3Confident84.2Confident75 Ų7594.3 Ų94.346%0.4650%0.495SS..  trans-68155.8172.866.30000111.3A1229 E1230 L1231T1227-A1229 PolarHBondContact O-N 2.89Å; T1227-A1229 VanDerWaalsContact O-N 3.15Å; T1227-E1230 VanDerWaalsContact CB-OE2 3.27Å; T1227-E1230 WeakPolarHBondContact CB-OE2 3.41Å; T1227-E1230 WeakPolarHBondContact CG2-OE2 3.36Å; T1227-E1230 PolarHBondContact N-OE2 2.83Å; T1227-E1230 PolarHBondContact O-N 2.99Å; T1227-E1230 VanDerWaalsContact O-N 3.08Å; T1227-E1230 WeakPolarHBondContact OG1-CG 3.05Å; T1227-E1230 PolarHBondContact OG1-N 3.39Å; T1227-E1230 PolarHBondContact OG1-OE2 3.47Å; T1227-L1231 WeakPolarHBondContact O-CG 3.27Å; T1227-L1231 PolarHBondContact O-N 3.49Å
1228T89Confident85.3Confident117 Ų11792.5 Ų92.572%0.71849%0.485SS*.Hα-helixtrans-58.7-27174.650.20000112.9T1232T1228-T1232 WeakPolarHBondContact O-CB 3.33Å; T1228-T1232 PolarHBondContact O-N 2.79Å; T1228-T1232 PolarHBondContact O-OG1 3.2Å
1229A92.1Very high86.8Confident69 Ų6993.8 Ų93.857%0.5748%0.482SS*.Hα-helixtrans-69.9-44174.200000112.2T1227 T1232 N1233T1227-A1229 PolarHBondContact O-N 2.89Å; T1227-A1229 VanDerWaalsContact O-N 3.15Å; A1229-T1232 PolarHBondContact O-N 3.33Å; A1229-N1233 PolarHBondContact O-N 3.41Å
1230E91.4Very high88.2Confident88 Ų8897.4 Ų97.441%0.41149%0.492SS..Hα-helixtrans-66.2-44.8175.7-70160.212300111.3F1226 T1227 T1232 N1233 F1234F1226-E1230 HydrophobicContact CB-CB 4.34Å; T1227-E1230 VanDerWaalsContact CB-OE2 3.27Å; T1227-E1230 WeakPolarHBondContact CB-OE2 3.41Å; T1227-E1230 WeakPolarHBondContact CG2-OE2 3.36Å; T1227-E1230 PolarHBondContact N-OE2 2.83Å; T1227-E1230 PolarHBondContact O-N 2.99Å; T1227-E1230 VanDerWaalsContact O-N 3.08Å; T1227-E1230 WeakPolarHBondContact OG1-CG 3.05Å; T1227-E1230 PolarHBondContact OG1-N 3.39Å; T1227-E1230 PolarHBondContact OG1-OE2 3.47Å; E1230-T1232 VanDerWaalsContact C-N 3.31Å; E1230-T1232 PolarHBondContact O-N 3.13Å; E1230-N1233 CarbonylContact O-C 3.59Å; E1230-N1233 WeakPolarHBondContact O-CA 3.35Å; E1230-N1233 WeakPolarHBondContact O-CB 3.31Å; E1230-N1233 PolarHBondContact O-N 3.44Å; E1230-F1234 HydrophobicContact CB-CE2 4.21Å; E1230-F1234 VanDerWaalsContact O-CD2 3.29Å; E1230-F1234 WeakPolarHBondContact O-CD2 3.43Å; E1230-F1234 WeakPolarHBondContact O-CG 3.49Å; E1230-F1234 PolarHBondContact O-N 2.93Å
1231L93.7Very high89.7Confident51 Ų5193.9 Ų93.927%0.26747%0.47SS..Hα-helixtrans-57.5-42.8173.9-66.6174000112W1223 F1226 T1227 N1233 F1234 L1235W1223-L1231 HydrophobicContact CE3-CD2 3.77Å; W1223-L1231 HydrophobicContact CZ3-CD2 4.45Å; F1226-L1231 HydrophobicContact CB-CD2 3.91Å; F1226-L1231 HydrophobicContact CB-CG 3.96Å; F1226-L1231 HydrophobicContact CG-CD2 4.48Å; T1227-L1231 WeakPolarHBondContact O-CG 3.27Å; T1227-L1231 PolarHBondContact O-N 3.49Å; L1231-N1233 VanDerWaalsContact C-N 3.27Å; L1231-N1233 PolarHBondContact O-N 3.34Å; L1231-F1234 HydrophobicContact CD2-CD2 4.34Å; L1231-F1234 PolarHBondContact O-N 2.88Å; L1231-L1235 WeakPolarHBondContact O-CG 3.39Å; L1231-L1235 PolarHBondContact O-N 3.36Å
1232T93.2Very high90.5Very high76 Ų7695.7 Ų95.747%0.46648%0.477SS..Hα-helixtrans-64.4-32.3174.2-57.70000112T1228 A1229 E1230 R1236T1228-T1232 WeakPolarHBondContact O-CB 3.33Å; T1228-T1232 PolarHBondContact O-N 2.79Å; T1228-T1232 PolarHBondContact O-OG1 3.2Å; A1229-T1232 PolarHBondContact O-N 3.33Å; E1230-T1232 VanDerWaalsContact C-N 3.31Å; E1230-T1232 PolarHBondContact O-N 3.13Å; T1232-R1236 PolarHBondContact O-N 3.16Å; T1232-R1236 VanDerWaalsContact O-N 3.14Å
1233N93.5Very high91.5Very high74 Ų7496.3 Ų96.340%0.39649%0.487SS..Hα-helixtrans-74.3-38.8176.7-159.949.7000112.2A1229 E1230 L1231 R1236 I1237A1229-N1233 PolarHBondContact O-N 3.41Å; E1230-N1233 CarbonylContact O-C 3.59Å; E1230-N1233 WeakPolarHBondContact O-CA 3.35Å; E1230-N1233 WeakPolarHBondContact O-CB 3.31Å; E1230-N1233 PolarHBondContact O-N 3.44Å; L1231-N1233 VanDerWaalsContact C-N 3.27Å; L1231-N1233 PolarHBondContact O-N 3.34Å; N1233-R1236 PolarHBondContact O-N 3.31Å; N1233-R1236 PolarHBondContact OD1-NH1 3.48Å; N1233-I1237 WeakPolarHBondContact O-CD1 3.47Å; N1233-I1237 VanDerWaalsContact O-CG1 3.29Å; N1233-I1237 WeakPolarHBondContact O-CG1 3.31Å; N1233-I1237 PolarHBondContact O-N 2.75Å
1234F95Very high91.9Very high75 Ų7593.4 Ų93.433%0.32948%0.479SS..Hα-helixtrans-62-43.6172.5-60.3-45.8000111.7W1223 F1226 E1230 L1231 R1236 I1237 L1238W1223-F1234 HydrophobicContact CZ3-CD2 4.33Å; F1226-F1234 AromaticContact CD1-CE2 3.54Å; F1226-F1234 HydrophobicContact CD1-CE2 3.54Å; F1226-F1234 AromaticContact CD1-CZ 3.88Å; F1226-F1234 HydrophobicContact CD1-CZ 3.88Å; F1226-F1234 AromaticContact CE1-CE2 3.8Å; F1226-F1234 HydrophobicContact CE1-CE2 3.8Å; F1226-F1234 AromaticContact CE1-CZ 3.81Å; F1226-F1234 HydrophobicContact CE1-CZ 3.81Å; F1226-F1234 HydrophobicContact CG-CE2 4.02Å; F1226-F1234 HydrophobicContact CZ-CE2 4.48Å; E1230-F1234 HydrophobicContact CB-CE2 4.21Å; E1230-F1234 VanDerWaalsContact O-CD2 3.29Å; E1230-F1234 WeakPolarHBondContact O-CD2 3.43Å; E1230-F1234 WeakPolarHBondContact O-CG 3.49Å; E1230-F1234 PolarHBondContact O-N 2.93Å; L1231-F1234 HydrophobicContact CD2-CD2 4.34Å; L1231-F1234 PolarHBondContact O-N 2.88Å; F1234-R1236 PolarHBondContact O-N 3.49Å; F1234-I1237 PolarHBondContact O-N 2.71Å; F1234-I1237 VanDerWaalsContact O-N 3.17Å; F1234-L1238 WeakPolarHBondContact O-CG 3.49Å; F1234-L1238 PolarHBondContact O-N 3.44Å
1235L94.6Very high92.1Very high104 Ų10488.9 Ų88.955%0.54546%0.459SS..Hα-helixtrans-57.7-47.1174.1-70.3172.6000111.5L1231 I1237 L1238 D1239L1231-L1235 WeakPolarHBondContact O-CG 3.39Å; L1231-L1235 PolarHBondContact O-N 3.36Å; L1235-I1237 VanDerWaalsContact C-N 3.29Å; L1235-I1237 PolarHBondContact O-N 3.01Å; L1235-L1238 PolarHBondContact O-N 3.46Å; L1235-L1238 VanDerWaalsContact O-N 3.17Å; L1235-D1239 PolarHBondContact O-N 3.37Å
1236R95.2Very high92.7Very high146 Ų14691.4 Ų91.455%0.55146%0.46SS*.Hα-helixtrans-60.7-35176.4-171.9-170.2-62.3124.3-1.3113.4T1232 N1233 F1234 K1240T1232-R1236 PolarHBondContact O-N 3.16Å; T1232-R1236 VanDerWaalsContact O-N 3.14Å; N1233-R1236 PolarHBondContact O-N 3.31Å; N1233-R1236 PolarHBondContact OD1-NH1 3.48Å; F1234-R1236 PolarHBondContact O-N 3.49Å; R1236-K1240 WeakPolarHBondContact O-CB 3.49Å; R1236-K1240 PolarHBondContact O-N 3.48Å; R1236-K1240 VanDerWaalsContact O-N 3.16Å
1237I95.6Very high93.2Very high71 Ų7192.9 Ų92.936%0.36447%0.471SS..Hα-helixtrans-68.6-46.1175.9-69.5162.2000109.8N1233 F1234 L1235 K1240 E1241N1233-I1237 WeakPolarHBondContact O-CD1 3.47Å; N1233-I1237 VanDerWaalsContact O-CG1 3.29Å; N1233-I1237 WeakPolarHBondContact O-CG1 3.31Å; N1233-I1237 PolarHBondContact O-N 2.75Å; F1234-I1237 PolarHBondContact O-N 2.71Å; F1234-I1237 VanDerWaalsContact O-N 3.17Å; L1235-I1237 VanDerWaalsContact C-N 3.29Å; L1235-I1237 PolarHBondContact O-N 3.01Å; I1237-K1240 WeakPolarHBondContact O-CB 3.32Å; I1237-K1240 PolarHBondContact O-N 2.91Å; I1237-E1241 HydrophobicContact CG2-CG 4.46Å; I1237-E1241 WeakPolarHBondContact CG2-OE1 3.44Å; I1237-E1241 WeakPolarHBondContact O-CG 3.27Å; I1237-E1241 PolarHBondContact O-N 3Å
1238L95.2Very high93.4Very high102 Ų10291.2 Ų91.253%0.53447%0.465SS..Hα-helixtrans-62.9-44.6176.9-67.9168.9000112.4F1234 L1235 K1240 E1241 E1242F1234-L1238 WeakPolarHBondContact O-CG 3.49Å; F1234-L1238 PolarHBondContact O-N 3.44Å; L1235-L1238 PolarHBondContact O-N 3.46Å; L1235-L1238 VanDerWaalsContact O-N 3.17Å; L1238-K1240 VanDerWaalsContact C-N 3.26Å; L1238-K1240 PolarHBondContact O-N 3.42Å; L1238-E1241 PolarHBondContact O-N 3.48Å; L1238-E1242 WeakPolarHBondContact O-CB 3.46Å; L1238-E1242 PolarHBondContact O-N 3.28Å
1239D96.1Very high93.7Very high101 Ų10190.5 Ų90.554%0.5446%0.456SS..Hα-helixtrans-55.6-44174.2-68-30.4000110.8L1235 C1243L1235-D1239 PolarHBondContact O-N 3.37Å; D1239-C1243 WeakPolarHBondContact O-CB 3.5Å; D1239-C1243 PolarHBondContact O-N 3.49Å; D1239-C1243 PolarHBondContact O-SG 3.17Å; D1239-C1243 VanDerWaalsContact O-SG 3.35Å
1240K95.6Very high93.9Very high125 Ų12591.1 Ų91.154%0.54345%0.449SS..Hα-helixtrans-66.6-48178.2-178-172.3164.7-170.90111.4R1236 I1237 L1238 C1243 E1244R1236-K1240 WeakPolarHBondContact O-CB 3.49Å; R1236-K1240 PolarHBondContact O-N 3.48Å; R1236-K1240 VanDerWaalsContact O-N 3.16Å; I1237-K1240 WeakPolarHBondContact O-CB 3.32Å; I1237-K1240 PolarHBondContact O-N 2.91Å; L1238-K1240 VanDerWaalsContact C-N 3.26Å; L1238-K1240 PolarHBondContact O-N 3.42Å; K1240-C1243 WeakPolarHBondContact O-CB 3.49Å; K1240-C1243 PolarHBondContact O-N 3.36Å; K1240-E1244 WeakPolarHBondContact CE-OE1 3.31Å; K1240-E1244 IonicContact NZ-OE1 2.75Å; K1240-E1244 PolarHBondContact NZ-OE1 3.5Å; K1240-E1244 WeakPolarHBondContact O-CG 3.45Å; K1240-E1244 PolarHBondContact O-N 2.84Å
1241E94.8Very high94Very high78 Ų7894.7 Ų94.736%0.36446%0.46SS..Hα-helixtrans-61.4-44.2178.7-75.3179.9-161.100111.3I1237 L1238 C1243 E1244 Y1245I1237-E1241 HydrophobicContact CG2-CG 4.46Å; I1237-E1241 WeakPolarHBondContact CG2-OE1 3.44Å; I1237-E1241 WeakPolarHBondContact O-CG 3.27Å; I1237-E1241 PolarHBondContact O-N 3Å; L1238-E1241 PolarHBondContact O-N 3.48Å; E1241-C1243 VanDerWaalsContact C-N 3.34Å; E1241-C1243 PolarHBondContact O-N 3.04Å; E1241-E1244 PolarHBondContact O-N 3.2Å; E1241-Y1245 HydrophobicContact CB-CD2 4.41Å; E1241-Y1245 HydrophobicContact CB-CE2 4.22Å; E1241-Y1245 WeakPolarHBondContact O-CD2 3.49Å; E1241-Y1245 PolarHBondContact O-N 3.45Å
1242E93Very high94Very high128 Ų12898.2 Ų98.260%0.59848%0.475SS*.Hα-helixtrans-60.3-43.2175.1-169.2-174.1140.100111.4L1238 E1244 Y1245 R1246L1238-E1242 WeakPolarHBondContact O-CB 3.46Å; L1238-E1242 PolarHBondContact O-N 3.28Å; E1242-E1244 PolarHBondContact O-N 2.85Å; E1242-Y1245 PolarHBondContact O-N 3.08Å; E1242-R1246 VanDerWaalsContact O-CB 3.24Å; E1242-R1246 WeakPolarHBondContact O-CB 3.29Å; E1242-R1246 PolarHBondContact O-N 3.47Å
1243C95.8Very high94.1Very high74 Ų74101.3 Ų101.350%0.548%0.479SS..Hα-helixtrans-61-42.2173.7-78.20000112.6D1239 K1240 E1241 R1246 N1247D1239-C1243 WeakPolarHBondContact O-CB 3.5Å; D1239-C1243 PolarHBondContact O-N 3.49Å; D1239-C1243 PolarHBondContact O-SG 3.17Å; D1239-C1243 VanDerWaalsContact O-SG 3.35Å; K1240-C1243 WeakPolarHBondContact O-CB 3.49Å; K1240-C1243 PolarHBondContact O-N 3.36Å; E1241-C1243 VanDerWaalsContact C-N 3.34Å; E1241-C1243 PolarHBondContact O-N 3.04Å; C1243-R1246 PolarHBondContact O-N 3.03Å; C1243-N1247 WeakPolarHBondContact O-CB 3.35Å; C1243-N1247 PolarHBondContact O-N 2.96Å; C1243-N1247 PolarHBondContact O-ND2 3.14Å
1244E91.1Very high94.2Very high80 Ų80101.3 Ų101.337%0.37448%0.479SS..Hα-helixtrans-66.3-43.8176.7-74-179.8175.100111.8M494 K1240 E1241 E1242 N1247 A1248M494-E1244 HydrophobicContact CE-CB 4.2Å; K1240-E1244 WeakPolarHBondContact CE-OE1 3.31Å; K1240-E1244 IonicContact NZ-OE1 2.75Å; K1240-E1244 PolarHBondContact NZ-OE1 3.5Å; K1240-E1244 WeakPolarHBondContact O-CG 3.45Å; K1240-E1244 PolarHBondContact O-N 2.84Å; E1241-E1244 PolarHBondContact O-N 3.2Å; E1242-E1244 PolarHBondContact O-N 2.85Å; E1244-N1247 PolarHBondContact O-N 3.25Å; E1244-A1248 WeakPolarHBondContact O-CB 3.46Å; E1244-A1248 PolarHBondContact O-N 3.12Å
1245Y85.7Confident94.1Very high50 Ų50101.6 Ų101.620%0.19648%0.484CS..Hα-helixtrans-62.3-43.6173.8-74.9-59.8000112.3M494 S497 E1241 E1242 N1247 A1248 I1249M494-Y1245 HydrophobicContact CG-CE1 4.25Å; S497-Y1245 PolarHBondContact OG-OH 3.35Å; E1241-Y1245 HydrophobicContact CB-CD2 4.41Å; E1241-Y1245 HydrophobicContact CB-CE2 4.22Å; E1241-Y1245 WeakPolarHBondContact O-CD2 3.49Å; E1241-Y1245 PolarHBondContact O-N 3.45Å; E1242-Y1245 PolarHBondContact O-N 3.08Å; Y1245-N1247 VanDerWaalsContact C-N 3.34Å; Y1245-N1247 PolarHBondContact O-N 3.42Å; Y1245-A1248 PolarHBondContact O-N 2.79Å; Y1245-I1249 WeakPolarHBondContact O-CG1 3.23Å; Y1245-I1249 PolarHBondContact O-N 2.86Å
1246R94.7Very high94.1Very high164 Ų16499.5 Ų99.562%0.61947%0.473SS*.Hα-helixtrans-61.7-42.1176.4-175.9176.1-179.3174.2-0.2111.7E1242 C1243 I1249 L1250E1242-R1246 VanDerWaalsContact O-CB 3.24Å; E1242-R1246 WeakPolarHBondContact O-CB 3.29Å; E1242-R1246 PolarHBondContact O-N 3.47Å; C1243-R1246 PolarHBondContact O-N 3.03Å; R1246-I1249 PolarHBondContact O-N 3.19Å; R1246-L1250 HydrophobicContact CG-CD1 4.19Å; R1246-L1250 WeakPolarHBondContact O-CB 3.36Å; R1246-L1250 VanDerWaalsContact O-CG 3.31Å; R1246-L1250 WeakPolarHBondContact O-CG 3.47Å; R1246-L1250 PolarHBondContact O-N 2.95Å
1247N94.6Very high94.1Very high103 Ų10398.3 Ų98.355%0.55147%0.468SS*.Hα-helixtrans-66.4-39.7176.3-71.8-20.8000111.8C1243 E1244 Y1245 L1250 Y1251C1243-N1247 WeakPolarHBondContact O-CB 3.35Å; C1243-N1247 PolarHBondContact O-N 2.96Å; C1243-N1247 PolarHBondContact O-ND2 3.14Å; E1244-N1247 PolarHBondContact O-N 3.25Å; Y1245-N1247 VanDerWaalsContact C-N 3.34Å; Y1245-N1247 PolarHBondContact O-N 3.42Å; N1247-L1250 PolarHBondContact O-N 3.4Å; N1247-Y1251 WeakPolarHBondContact O-CB 3.32Å; N1247-Y1251 PolarHBondContact O-N 2.9Å
1248A92.3Very high94Very high40 Ų4099 Ų9933%0.33147%0.473SS..Hα-helixtrans-62.9-42.3174.600000112.4E1244 Y1245 Y1251 Q1252E1244-A1248 WeakPolarHBondContact O-CB 3.46Å; E1244-A1248 PolarHBondContact O-N 3.12Å; Y1245-A1248 PolarHBondContact O-N 2.79Å; A1248-Y1251 PolarHBondContact O-N 3.2Å; A1248-Q1252 WeakPolarHBondContact O-CG 3.48Å; A1248-Q1252 PolarHBondContact O-N 2.8Å
1249I94.6Very high93.8Very high102 Ų10298.9 Ų98.952%0.52347%0.469SS..Hα-helixtrans-63.6-46.3175.3-68.6164.7000110.8Y1245 R1246 Y1251 Q1252 Y1253Y1245-I1249 WeakPolarHBondContact O-CG1 3.23Å; Y1245-I1249 PolarHBondContact O-N 2.86Å; R1246-I1249 PolarHBondContact O-N 3.19Å; I1249-Y1251 VanDerWaalsContact C-N 3.34Å; I1249-Y1251 PolarHBondContact O-N 3.3Å; I1249-Q1252 PolarHBondContact O-N 2.98Å; I1249-Y1253 WeakPolarHBondContact O-CB 3.37Å; I1249-Y1253 PolarHBondContact O-N 3.21Å
1250L95.6Very high93.7Very high81 Ų8197 Ų9742%0.42446%0.459SS..Hα-helixtrans-63.3-38.1177.2-72.7170.6000112.2R1246 N1247 N1254R1246-L1250 HydrophobicContact CG-CD1 4.19Å; R1246-L1250 WeakPolarHBondContact O-CB 3.36Å; R1246-L1250 VanDerWaalsContact O-CG 3.31Å; R1246-L1250 WeakPolarHBondContact O-CG 3.47Å; R1246-L1250 PolarHBondContact O-N 2.95Å; N1247-L1250 PolarHBondContact O-N 3.4Å; L1250-N1254 WeakPolarHBondContact O-CB 3.38Å; L1250-N1254 VanDerWaalsContact O-CG 3.25Å; L1250-N1254 PolarHBondContact O-N 3.15Å; L1250-N1254 PolarHBondContact O-ND2 2.82Å; L1250-N1254 VanDerWaalsContact O-ND2 3.16Å
1251Y94.8Very high93.6Very high164 Ų16494 Ų9464%0.64345%0.447SS*.Hα-helixtrans-63.4-48.5174.7178.6-95.2000111.9N1247 A1248 I1249 Y1253 N1254 L1255N1247-Y1251 WeakPolarHBondContact O-CB 3.32Å; N1247-Y1251 PolarHBondContact O-N 2.9Å; A1248-Y1251 PolarHBondContact O-N 3.2Å; I1249-Y1251 VanDerWaalsContact C-N 3.34Å; I1249-Y1251 PolarHBondContact O-N 3.3Å; Y1251-Y1253 PolarHBondContact O-N 3.49Å; Y1251-N1254 PolarHBondContact O-N 3.49Å; Y1251-L1255 WeakPolarHBondContact O-CB 3.28Å; Y1251-L1255 PolarHBondContact O-N 2.98Å
1252Q92.7Very high93.4Very high125 Ų12595.9 Ų95.958%0.58446%0.456SS*.Hα-helixtrans-63-41.2176.9-71.3-179.211.300112.2A1248 I1249 L1255 L1256A1248-Q1252 WeakPolarHBondContact O-CG 3.48Å; A1248-Q1252 PolarHBondContact O-N 2.8Å; I1249-Q1252 PolarHBondContact O-N 2.98Å; Q1252-L1255 PolarHBondContact O-N 2.97Å; Q1252-L1256 WeakPolarHBondContact O-CB 3.43Å; Q1252-L1256 PolarHBondContact O-N 3.36Å
1253Y95.8Very high93.2Very high141 Ų14195.6 Ų95.655%0.55345%0.449SS*.Hα-helixtrans-60.7-47.2174.6174-96.5000111.9I1249 Y1251 L1255 L1256 R1257I1249-Y1253 WeakPolarHBondContact O-CB 3.37Å; I1249-Y1253 PolarHBondContact O-N 3.21Å; Y1251-Y1253 PolarHBondContact O-N 3.49Å; Y1253-L1255 PolarHBondContact O-N 3.05Å; Y1253-L1256 PolarHBondContact O-N 2.99Å; Y1253-R1257 WeakPolarHBondContact O-CB 3.43Å; Y1253-R1257 PolarHBondContact O-N 3.06Å
1254N94.4Very high92.8Very high74 Ų7497.8 Ų97.840%0.39645%0.453SS..Hα-helixtrans-66.1-37.5178.7-74.2-30000112.2L1250 Y1251 R1257 N1258L1250-N1254 WeakPolarHBondContact O-CB 3.38Å; L1250-N1254 VanDerWaalsContact O-CG 3.25Å; L1250-N1254 PolarHBondContact O-N 3.15Å; L1250-N1254 PolarHBondContact O-ND2 2.82Å; L1250-N1254 VanDerWaalsContact O-ND2 3.16Å; Y1251-N1254 PolarHBondContact O-N 3.49Å; N1254-R1257 PolarHBondContact O-N 2.99Å; N1254-N1258 WeakPolarHBondContact O-CB 3.46Å; N1254-N1258 PolarHBondContact O-N 2.78Å; N1254-N1258 PolarHBondContact O-ND2 3.34Å
1255L94.8Very high92.8Very high81 Ų81100.2 Ų100.242%0.42446%0.463SS..Hα-helixtrans-61.6-47.4173.8-178.562.9000111.4Y1251 Q1252 Y1253 N1258 Q1259Y1251-L1255 WeakPolarHBondContact O-CB 3.28Å; Y1251-L1255 PolarHBondContact O-N 2.98Å; Q1252-L1255 PolarHBondContact O-N 2.97Å; Y1253-L1255 PolarHBondContact O-N 3.05Å; L1255-N1258 PolarHBondContact O-N 2.68Å; L1255-Q1259 WeakPolarHBondContact O-CG 3.46Å; L1255-Q1259 PolarHBondContact O-N 2.87Å; L1255-Q1259 VanDerWaalsContact O-N 3.1Å
1256L94.7Very high92.7Very high60 Ų60102.2 Ų102.231%0.31447%0.474SS..Hα-helixtrans-63.3-42.8176.5-177.560.3000112I478 Q1252 Y1253 N1258 Q1259 L1260I478-L1256 HydrophobicContact CG2-CD1 3.96Å; Q1252-L1256 WeakPolarHBondContact O-CB 3.43Å; Q1252-L1256 PolarHBondContact O-N 3.36Å; Y1253-L1256 PolarHBondContact O-N 2.99Å; L1256-N1258 PolarHBondContact O-N 3.22Å; L1256-Q1259 PolarHBondContact O-N 2.94Å; L1256-L1260 HydrophobicContact CG-CD1 4.25Å; L1256-L1260 WeakPolarHBondContact O-CG 3.29Å; L1256-L1260 PolarHBondContact O-N 2.86Å
1257R93.6Very high92.2Very high120 Ų12098.8 Ų98.845%0.45347%0.467SS..Hα-helixtrans-59.2-46.4175.5-179.5-175.9164.1-174-6.5111.3Y1253 N1254 Q1259 L1260 E1261Y1253-R1257 WeakPolarHBondContact O-CB 3.43Å; Y1253-R1257 PolarHBondContact O-N 3.06Å; N1254-R1257 PolarHBondContact O-N 2.99Å; R1257-Q1259 VanDerWaalsContact C-N 3.32Å; R1257-Q1259 PolarHBondContact O-N 3.18Å; R1257-L1260 WeakPolarHBondContact O-CB 3.29Å; R1257-L1260 PolarHBondContact O-N 3.25Å; R1257-E1261 IonicContact CZ-OE1 3.88Å; R1257-E1261 IonicContact NE-OE1 2.79Å; R1257-E1261 PolarHBondContact NE-OE1 3.29Å; R1257-E1261 IonicContact NH2-OE1 2.71Å; R1257-E1261 PolarHBondContact NH2-OE1 3.01Å; R1257-E1261 PolarHBondContact O-N 2.73Å
1258N93.3Very high91.8Very high86 Ų8697.9 Ų97.946%0.4647%0.465SS..Hα-helixtrans-61.8-39.8178.3-71.5-17.4000111.8N1254 L1255 L1256 E1261 Q1262N1254-N1258 WeakPolarHBondContact O-CB 3.46Å; N1254-N1258 PolarHBondContact O-N 2.78Å; N1254-N1258 PolarHBondContact O-ND2 3.34Å; L1255-N1258 PolarHBondContact O-N 2.68Å; L1256-N1258 PolarHBondContact O-N 3.22Å; N1258-E1261 PolarHBondContact O-N 2.73Å; N1258-Q1262 WeakPolarHBondContact O-CB 3.45Å; N1258-Q1262 VanDerWaalsContact O-CG 3.29Å; N1258-Q1262 WeakPolarHBondContact O-CG 3.37Å; N1258-Q1262 PolarHBondContact O-N 2.81Å
1259Q92.9Very high91.1Very high99 Ų99100.3 Ų100.346%0.46348%0.476SS..Hα-helixtrans-64.7-40.8174.3-70.1172.7-1.500112.3L1255 L1256 R1257 Q1262 R1263L1255-Q1259 WeakPolarHBondContact O-CG 3.46Å; L1255-Q1259 PolarHBondContact O-N 2.87Å; L1255-Q1259 VanDerWaalsContact O-N 3.1Å; L1256-Q1259 PolarHBondContact O-N 2.94Å; R1257-Q1259 VanDerWaalsContact C-N 3.32Å; R1257-Q1259 PolarHBondContact O-N 3.18Å; Q1259-Q1262 PolarHBondContact O-N 2.83Å; Q1259-R1263 WeakPolarHBondContact O-CB 3.45Å; Q1259-R1263 VanDerWaalsContact O-CG 3.31Å; Q1259-R1263 WeakPolarHBondContact O-CG 3.32Å; Q1259-R1263 PolarHBondContact O-N 3.33Å
1260L94Very high90.1Very high61 Ų6199.2 Ų99.232%0.31947%0.474SS..Hα-helixtrans-63.7-46.7175-75.1166.9000111.9I478 L1256 R1257 Q1262 R1263 M1264I478-L1260 HydrophobicContact CD1-CD2 3.8Å; L1256-L1260 HydrophobicContact CG-CD1 4.25Å; L1256-L1260 WeakPolarHBondContact O-CG 3.29Å; L1256-L1260 PolarHBondContact O-N 2.86Å; R1257-L1260 WeakPolarHBondContact O-CB 3.29Å; R1257-L1260 PolarHBondContact O-N 3.25Å; L1260-Q1262 VanDerWaalsContact C-N 3.34Å; L1260-Q1262 PolarHBondContact O-N 2.87Å; L1260-R1263 PolarHBondContact O-N 3.35Å; L1260-M1264 WeakPolarHBondContact O-CG 3.44Å; L1260-M1264 PolarHBondContact O-N 2.88Å
1261E92.6Very high88.7Confident63 Ų6399 Ų9929%0.29447%0.473SS..Hα-helixtrans-64.1-36.9177.5-73.1-172.1-158.200112.5R1257 N1258 K1265R1257-E1261 IonicContact CZ-OE1 3.88Å; R1257-E1261 IonicContact NE-OE1 2.79Å; R1257-E1261 PolarHBondContact NE-OE1 3.29Å; R1257-E1261 IonicContact NH2-OE1 2.71Å; R1257-E1261 PolarHBondContact NH2-OE1 3.01Å; R1257-E1261 PolarHBondContact O-N 2.73Å; N1258-E1261 PolarHBondContact O-N 2.73Å; E1261-K1265 WeakPolarHBondContact O-CD 3.17Å; E1261-K1265 VanDerWaalsContact O-CG 3.28Å; E1261-K1265 WeakPolarHBondContact O-CG 3.02Å; E1261-K1265 PolarHBondContact O-N 3.01Å; E1261-K1265 IonicContact OE2-NZ 3.36Å
1262Q90.6Very high87Confident118 Ų11896.8 Ų96.855%0.55147%0.468SS*.Hα-helixtrans-63.4-46.9172.2-76.4174.7-4.400111.7N1258 Q1259 L1260 M1264 K1265 Q1266N1258-Q1262 WeakPolarHBondContact O-CB 3.45Å; N1258-Q1262 VanDerWaalsContact O-CG 3.29Å; N1258-Q1262 WeakPolarHBondContact O-CG 3.37Å; N1258-Q1262 PolarHBondContact O-N 2.81Å; Q1259-Q1262 PolarHBondContact O-N 2.83Å; L1260-Q1262 VanDerWaalsContact C-N 3.34Å; L1260-Q1262 PolarHBondContact O-N 2.87Å; Q1262-M1264 PolarHBondContact O-N 3.43Å; Q1262-K1265 PolarHBondContact O-N 3.04Å; Q1262-Q1266 WeakPolarHBondContact O-CG 3.43Å; Q1262-Q1266 PolarHBondContact O-N 3.06Å
1263R88.4Confident85.4Confident122 Ų12294.5 Ų94.546%0.4646%0.463SS..Hα-helixtrans-62.2-41.1177.1-73.8-73.9-179.583-0.5112.1Q1259 L1260 Q1266 L1267Q1259-R1263 WeakPolarHBondContact O-CB 3.45Å; Q1259-R1263 VanDerWaalsContact O-CG 3.31Å; Q1259-R1263 WeakPolarHBondContact O-CG 3.32Å; Q1259-R1263 PolarHBondContact O-N 3.33Å; L1260-R1263 PolarHBondContact O-N 3.35Å; R1263-Q1266 PolarHBondContact O-N 3.36Å; R1263-L1267 WeakPolarHBondContact O-CG 3.32Å; R1263-L1267 PolarHBondContact O-N 3.34Å
1264M88.6Confident83.2Confident119 Ų11996.3 Ų96.359%0.58647%0.469SS*.Hα-helixtrans-61.3-44.3174.1-76.1-176.5168.800111.9L1260 Q1262 Q1266 L1267 V1268L1260-M1264 WeakPolarHBondContact O-CG 3.44Å; L1260-M1264 PolarHBondContact O-N 2.88Å; Q1262-M1264 PolarHBondContact O-N 3.43Å; M1264-Q1266 PolarHBondContact O-N 2.96Å; M1264-L1267 PolarHBondContact O-N 3.03Å; M1264-V1268 WeakPolarHBondContact O-CG2 3.47Å; M1264-V1268 PolarHBondContact O-N 2.93Å
1265K89.4Confident81.1Confident131 Ų13199.3 Ų99.357%0.5748%0.48SS*.Hα-helixtrans-61-42.5176.1-72.3162.8-174.9164.40111.8E1261 Q1262 L1267 V1268 V1269E1261-K1265 WeakPolarHBondContact O-CD 3.17Å; E1261-K1265 VanDerWaalsContact O-CG 3.28Å; E1261-K1265 WeakPolarHBondContact O-CG 3.02Å; E1261-K1265 PolarHBondContact O-N 3.01Å; E1261-K1265 IonicContact OE2-NZ 3.36Å; Q1262-K1265 PolarHBondContact O-N 3.04Å; K1265-L1267 PolarHBondContact O-N 3.19Å; K1265-V1268 PolarHBondContact O-N 3.24Å; K1265-V1269 WeakPolarHBondContact O-CG2 3.42Å; K1265-V1269 PolarHBondContact O-N 3.2Å; K1265-V1269 VanDerWaalsContact O-N 3.09Å
1266Q84.2Confident78.9Confident93 Ų93101.9 Ų101.944%0.43549%0.49SS..Hα-helixtrans-61.8-39.7174.1-71.3175.7-31.900112.7Q1262 R1263 M1264 T1270Q1262-Q1266 WeakPolarHBondContact O-CG 3.43Å; Q1262-Q1266 PolarHBondContact O-N 3.06Å; R1263-Q1266 PolarHBondContact O-N 3.36Å; M1264-Q1266 PolarHBondContact O-N 2.96Å; Q1266-T1270 WeakPolarHBondContact O-CB 3.4Å; Q1266-T1270 WeakPolarHBondContact O-CG2 3.38Å; Q1266-T1270 PolarHBondContact O-N 3.33Å; Q1266-T1270 PolarHBondContact O-OG1 3Å
1267L84.8Confident76.5Confident92 Ų92105.5 Ų105.548%0.48251%0.505SS..Hα-helixtrans-68-38.3177-71.8169.1000112.5R1263 M1264 K1265 T1270 N1271R1263-L1267 WeakPolarHBondContact O-CG 3.32Å; R1263-L1267 PolarHBondContact O-N 3.34Å; M1264-L1267 PolarHBondContact O-N 3.03Å; K1265-L1267 PolarHBondContact O-N 3.19Å; L1267-T1270 WeakPolarHBondContact CA-OG1 3.44Å; L1267-T1270 PolarHBondContact O-OG1 2.8Å; L1267-N1271 WeakPolarHBondContact O-CB 3.45Å; L1267-N1271 PolarHBondContact O-N 2.79Å; L1267-N1271 PolarHBondContact O-ND2 3.46Å
1268V84.8Confident74.1Confident83 Ų83106.9 Ų106.950%0.50352%0.516SS..Hα-helixtrans-64.5-45.6175.2172.90000111.1M1264 K1265 N1271 H1272M1264-V1268 WeakPolarHBondContact O-CG2 3.47Å; M1264-V1268 PolarHBondContact O-N 2.93Å; K1265-V1268 PolarHBondContact O-N 3.24Å; V1268-N1271 PolarHBondContact O-N 2.99Å; V1268-H1272 PolarHBondContact O-N 3.42Å; V1268-H1272 PolarHBondContact O-ND1 2.74Å
1269V77.8Confident71.7Confident92 Ų92106.3 Ų106.356%0.55852%0.519SS*.Hα-helixtrans-64.7-46.3178.41730000111.5K1265 N1271 H1272 V1273K1265-V1269 WeakPolarHBondContact O-CG2 3.42Å; K1265-V1269 PolarHBondContact O-N 3.2Å; K1265-V1269 VanDerWaalsContact O-N 3.09Å; V1269-N1271 VanDerWaalsContact C-N 3.3Å; V1269-N1271 PolarHBondContact O-N 2.55Å; V1269-H1272 PolarHBondContact O-N 3.49Å; V1269-H1272 VanDerWaalsContact O-N 3.14Å; V1269-V1273 WeakPolarHBondContact O-CG2 3.46Å; V1269-V1273 PolarHBondContact O-N 3.26Å
1270T74.3Confident69.2Low78 Ų78107.8 Ų107.848%0.47953%0.525SS..Hα-helixtrans-65.9-31.4179.1470000112.8Q1266 L1267 R1274Q1266-T1270 WeakPolarHBondContact O-CB 3.4Å; Q1266-T1270 WeakPolarHBondContact O-CG2 3.38Å; Q1266-T1270 PolarHBondContact O-N 3.33Å; Q1266-T1270 PolarHBondContact O-OG1 3Å; L1267-T1270 WeakPolarHBondContact CA-OG1 3.44Å; L1267-T1270 PolarHBondContact O-OG1 2.8Å; T1270-R1274 PolarHBondContact O-N 2.78Å
1271N66.4Low66.5Low77 Ų77111.6 Ų111.641%0.41255%0.545SS..Hα-helixtrans-68.6-40.6169.7-77.1-23.1000112.7L1267 V1268 V1269 V1273 R1274 H1275L1267-N1271 WeakPolarHBondContact O-CB 3.45Å; L1267-N1271 PolarHBondContact O-N 2.79Å; L1267-N1271 PolarHBondContact O-ND2 3.46Å; V1268-N1271 PolarHBondContact O-N 2.99Å; V1269-N1271 VanDerWaalsContact C-N 3.3Å; V1269-N1271 PolarHBondContact O-N 2.55Å; N1271-V1273 VanDerWaalsContact C-N 3.34Å; N1271-V1273 PolarHBondContact O-N 2.82Å; N1271-R1274 WeakPolarHBondContact O-CB 3.26Å; N1271-R1274 PolarHBondContact O-N 3.46Å; N1271-R1274 VanDerWaalsContact O-N 3.14Å; N1271-H1275 PolarHBondContact O-CD2 2.87Å; N1271-H1275 PolarHBondContact O-N 3.07Å
1272H59.7Low63.9Low117 Ų117116.9 Ų116.954%0.54257%0.57SS.*Hα-helixtrans-61.8-41.3174.2-79.367000112V1268 V1269 R1274 H1275 H1276V1268-H1272 PolarHBondContact O-N 3.42Å; V1268-H1272 PolarHBondContact O-ND1 2.74Å; V1269-H1272 PolarHBondContact O-N 3.49Å; V1269-H1272 VanDerWaalsContact O-N 3.14Å; H1272-R1274 VanDerWaalsContact C-N 3.31Å; H1272-R1274 PolarHBondContact O-N 2.99Å; H1272-H1275 PolarHBondContact O-N 3.49Å; H1272-H1276 PolarHBondContact O-CD2 3.36Å; H1272-H1276 PolarHBondContact O-N 2.94Å
1273V58.3Low61Low78 Ų78116.3 Ų116.347%0.47357%0.567SS.*Hα-helixtrans-61.5-38.7173.3172.40000111.4V1269 N1271 H1276 H1277V1269-V1273 WeakPolarHBondContact O-CG2 3.46Å; V1269-V1273 PolarHBondContact O-N 3.26Å; N1271-V1273 VanDerWaalsContact C-N 3.34Å; N1271-V1273 PolarHBondContact O-N 2.82Å; V1273-H1276 PolarHBondContact O-N 3.23Å; V1273-H1277 PolarHBondContact O-CD2 3.38Å; V1273-H1277 PolarHBondContact O-N 2.87Å
1274R50.8Low58.3Low178 Ų178113.6 Ų113.667%0.67257%0.567SS**Hα-helixtrans-62-43.1172.3-103.8179.2172.7160.7-1.9113.1T1270 N1271 H1272 H1277 H1278T1270-R1274 PolarHBondContact O-N 2.78Å; N1271-R1274 WeakPolarHBondContact O-CB 3.26Å; N1271-R1274 PolarHBondContact O-N 3.46Å; N1271-R1274 VanDerWaalsContact O-N 3.14Å; H1272-R1274 VanDerWaalsContact C-N 3.31Å; H1272-R1274 PolarHBondContact O-N 2.99Å; R1274-H1277 PolarHBondContact O-N 3.3Å; R1274-H1278 PolarHBondContact O-N 3.35Å
1275H50.2Low55.6Low138 Ų138112.6 Ų112.664%0.63956%0.564SS**Hα-helixtrans-65.2-40.2176.6-78.8-74.7000112.2N1271 H1272 H1278 S1279N1271-H1275 PolarHBondContact O-CD2 2.87Å; N1271-H1275 PolarHBondContact O-N 3.07Å; H1272-H1275 PolarHBondContact O-N 3.49Å; H1275-H1278 PolarHBondContact O-N 3.3Å; H1275-S1279 PolarHBondContact O-N 2.85Å; H1275-S1279 PolarHBondContact O-OG 3.47Å
1276H46.8Very low53.2Low135 Ų135111.7 Ų111.763%0.62557%0.565SS**Hα-helixtrans-66.1-36.5174.2-86.7-79.2000113.5H1272 V1273 H1278 S1279 H1280H1272-H1276 PolarHBondContact O-CD2 3.36Å; H1272-H1276 PolarHBondContact O-N 2.94Å; V1273-H1276 PolarHBondContact O-N 3.23Å; H1276-H1278 VanDerWaalsContact C-N 3.32Å; H1276-H1278 PolarHBondContact O-N 3.03Å; H1276-S1279 PolarHBondContact O-N 3Å; H1276-S1279 PolarHBondContact O-OG 3.22Å; H1276-S1279 VanDerWaalsContact O-OG 3.14Å; H1276-H1280 PolarHBondContact O-N 2.72Å
1277H44.2Very low51Low136 Ų136111.5 Ų111.563%0.6357%0.57SS**Hα-helixtrans-67.7-31.2172.7-89.2-67.7000113.1V1273 R1274V1273-H1277 PolarHBondContact O-CD2 3.38Å; V1273-H1277 PolarHBondContact O-N 2.87Å; R1274-H1277 PolarHBondContact O-N 3.3Å
1278H44.6Very low48.4Very low149 Ų149114.9 Ų114.969%0.6959%0.587SS**Hα-helixtrans-74.4-35.2174.5-103-67.7000113.6R1274 H1275 H1276R1274-H1278 PolarHBondContact O-N 3.35Å; H1275-H1278 PolarHBondContact O-N 3.3Å; H1276-H1278 VanDerWaalsContact C-N 3.32Å; H1276-H1278 PolarHBondContact O-N 3.03Å
1279S42.5Very low46.1Very low73 Ų73114.4 Ų114.451%0.5160%0.599SS.*Hα-helixtrans-73.3-33.9177.960.60000113.1H1275 H1276 L1281H1275-S1279 PolarHBondContact O-N 2.85Å; H1275-S1279 PolarHBondContact O-OG 3.47Å; H1276-S1279 PolarHBondContact O-N 3Å; H1276-S1279 PolarHBondContact O-OG 3.22Å; H1276-S1279 VanDerWaalsContact O-OG 3.14Å; S1279-L1281 PolarHBondContact O-N 2.97Å
1280H41.3Very low43.9Very low130 Ų130116.8 Ų116.860%0.60261%0.609SS**THydrogen-bonded Turntrans-68.9-16.7-176.4-148.6-70000114.4R441 H1276R441-H1280 PolarHBondContact NH2-O 2.79Å; H1276-H1280 PolarHBondContact O-N 2.72Å
1281L35.8Very low42Very low141 Ų141122.7 Ų122.774%0.73863%0.628SS**THydrogen-bonded Turntrans-82.4-12.8-175.9-87.4164.6000115.7S1279S1279-L1281 PolarHBondContact O-N 2.97Å
1282H38.4Very low40.6Very low175 Ų175124.1 Ų124.181%0.8164%0.644SS**SBendtrans-112.328.5-164-155-76.4000116.3
1283E30.4Very low39.6Very low105 Ų105124.3 Ų124.349%0.49166%0.655SS.*  trans-151.849.9-170.9-171.5-170.5-154.100112R441 R442R441-E1283 WeakPolarHBondContact CD-O 3.47Å; R441-E1283 WeakPolarHBondContact CD-OE2 3.41Å; R441-E1283 VanDerWaalsContact CZ-O 3.29Å; R441-E1283 IonicContact CZ-OE2 3Å; R441-E1283 PolarHBondContact NE-O 3.25Å; R441-E1283 IonicContact NE-OE2 2.69Å; R441-E1283 PolarHBondContact NE-OE2 3.26Å; R441-E1283 PolarHBondContact NH1-O 2.76Å; R441-E1283 IonicContact NH2-OE2 2.69Å; R441-E1283 PolarHBondContact NH2-OE2 2.74Å; R442-E1283 PolarHBondContact NE-O 2.96Å
1284S30.3Very low38.5Very low65 Ų65126.9 Ų126.946%0.45567%0.671SS.*  trans-130.145.2-169.4-42.50000115.9R441R441-S1284 PolarHBondContact NH1-OG 2.96Å
1285N33.4Very low37.7Very low98 Ų98125.3 Ų125.352%0.52468%0.676SS.*  trans-148143.4156.7-74.8-57.4000109.4R442R442-N1285 WeakPolarHBondContact CD-O 3.22Å; R442-N1285 PolarHBondContact NE-O 3.11Å; R442-N1285 PolarHBondContact NH1-O 2.8Å; R442-N1285 PolarHBondContact NH2-O 3.38Å
1286D37.8Very low36.9Very low113 Ų113123.4 Ų123.460%0.60468%0.678SS**  trans94.880.7-175.8-37.7-36.2000115.7R442R442-D1286 VanDerWaalsContact CD-C 3.49Å; R442-D1286 WeakPolarHBondContact CD-O 3.4Å; R442-D1286 PolarHBondContact NH1-O 3.36Å
1287V38.1Very low36.2Very low89 Ų89123.6 Ų123.654%0.53968%0.684SS.*  77.199.265.3-176.10000114.8N443N443-V1287 VanDerWaalsContact ND2-CG2 3.31Å; N443-V1287 WeakPolarHBondContact ND2-CG2 3.22Å
1288I31Very low35.7Very low162 Ų162124.2 Ų124.283%0.83169%0.692SS**  trans28122.1142-51.5174.3000118.9
1289G36.8Very low35Very low73 Ų73123.7 Ų123.775%0.75369%0.694SS**  trans-174.1115.8157.400000112.1
1290D30.3Very low34.6Very low143 Ų143126.7 Ų126.777%0.76571%0.709SS**  trans-71.7144.8177.1-62.8-70.3000112.5
1291F35.4Very low34.2Very low202 Ų202125.3 Ų125.389%0.88671%0.71SS**  173.5159.7112.9-100.3-74.7000112.4
1292S35.9Very low34Very low106 Ų106125.3 Ų125.374%0.74171%0.711SS**  trans-84151.8-167.853.70000115.9
1293P39.6Very low33.7Very low121 Ų121122.4 Ų122.479%0.78671%0.706SS**  trans-96.8154.5-175.637.7-35.9000115.5
1294V35.8Very low33.9Very low133 Ų133123.3 Ų123.381%0.80672%0.719SS**  trans-146.2114.8159.2177.80000111.3
1295D32.1Very low34.1Very low145 Ų145124.6 Ų124.678%0.77573%0.728SS**  trans40130.3144.5-56-21.1000126
1296S35Very low34.1Very low97 Ų97128 Ų12868%0.67875%0.746SS**  trans84.7111.4131.9-69.40000123.9
1297N32Very low33.8Very low139 Ų139126 Ų12674%0.74375%0.752SS**  51.7123.6127.2-52-28.2000119.5
1298N33Very low34.1Very low150 Ų150127.2 Ų127.280%0.80276%0.762SS**  -171.1172.266.8-119.8-42.9000116
1299N29.4Very low34.1Very low137 Ų137126.9 Ų126.973%0.73376%0.76SS**  trans-72156.5-171.3-57.7-73.4000117.8
1300T34.2Very low33.9Very low136 Ų136132.9 Ų132.983%0.83476%0.761SS**  171.9152.2129.528.40000110.4
1301T33.5Very low34.1Very low101 Ų101130.7 Ų130.762%0.6276%0.757SS**  cis-174.3154.1-40.226.30000108.7
1302N30.8Very low33.8Very low141 Ų141129.4 Ų129.475%0.75475%0.746SS**  trans74147.5156.8-62.3-15000118.3
1303T33.8Very low33.5Very low115 Ų115131 Ų13171%0.70674%0.737SS**  cis-158.7159.11.53.40000115.3
1304T33.5Very low33.2Very low123 Ų123134.2 Ų134.276%0.75574%0.735SS**  trans79.5131.8146.141.60000125.4
1305S33.9Very low32.8Very low92 Ų92133 Ų13364%0.64373%0.732SS**  trans70.890.1139.7660000122.2
1306N34.2Very low32.6Very low169 Ų169135.1 Ų135.190%0.90474%0.737SS**  165.5155.699.2-82.7-19000113.6
1307G31.5Very low32.3Very low71 Ų71136.2 Ų136.273%0.73275%0.745SS**  trans-178.7-157.3174.800000108.6
1308P43.7Very low32.1Very low115 Ų115138.6 Ų138.675%0.74775%0.751SS**  cis-135.8167.4-13.741.2-26.2000114.3
1309I32.6Very low32.3Very low156 Ų156136.1 Ų136.180%0.874%0.743SS**  trans-132.1151.8156.6-67-172.2000110.5
1310Y32.1Very low32.4Very low199 Ų199138.9 Ų138.978%0.7875%0.751SS**  trans-79.5166.2-172.8-84.6-112000113.3
1311S33.4Very low32.2Very low96 Ų96136.4 Ų136.467%0.67175%0.745SS**  cis-147.1162.2-2.456.50000108.6
1312R29Very low31.9Very low175 Ų175139.6 Ų139.666%0.6676%0.757SS**  cis57.8138.849.4-75.9173.8169-167.4-2.4111.5
1313Y31.1Very low32Very low139 Ų139140.5 Ų140.555%0.54576%0.757SS.*  cis-161-179.28.2-104.8-40.3000107.5
1314Y32.6Very low32Very low190 Ų190142.2 Ų142.275%0.74576%0.757SS**  cis-144.4171.17.5-116.4-52.8000110.7
1315S27.6Very low31.8Very low107 Ų107141.8 Ų141.875%0.74875%0.754SS**  trans-120.3163.9-171.2-44.60000112.9
1316H27.3Very low31.9Very low190 Ų190143.1 Ų143.188%0.8876%0.759SS**  trans-65.5140.5163.3-71.2-49.5000112
1317S28.3Very low31.8Very low120 Ų120143 Ų14384%0.83975%0.753SS**  176.9139.4125.1560000113.4
1318H27.9Very low31.9Very low188 Ų188146.3 Ų146.387%0.8775%0.754SS**  trans-106.2177.8159.6-127.5-1.7000107.5
1319P38.6Very low31.5Very low99 Ų99146.4 Ų146.464%0.64375%0.748SS**  cis-132.6-171.6-10.941.7-25.3000112.9
1320H30.5Very low31.5Very low194 Ų194147.3 Ų147.390%0.89875%0.749SS**  trans-160.4159.7146.4-115.5-80.9000110.1
1321A29.9Very low31.3Very low85 Ų85145.8 Ų145.870%0.70275%0.753SS**  trans-149.6165.2-177.800000112.9
1322L27.8Very low31.7Very low168 Ų168146.5 Ų146.588%0.8876%0.756SS**  trans67.5112.9170.4-76.1152.9000118.2
1323E32.4Very low31.8Very low159 Ų159145.3 Ų145.374%0.74376%0.761SS**  -160.6145.6103.9-98.8-163.6127.600112.6
1324Q33.3Very low32Very low151 Ų151142.5 Ų142.571%0.70677%0.774SS**  trans31.3145.3142-54.8-169.538.900121.7
1325T29.3Very low31.9Very low115 Ų115140.5 Ų140.571%0.70677%0.771SS**  cis-168.6175.2-3.118.80000109.4
1326T36Very low32.2Very low120 Ų120140.8 Ų140.874%0.73677%0.772SS**  trans89.8138.9175.974.70000116.8
1327E33.1Very low32.4Very low166 Ų166138 Ų13878%0.77676%0.764SS**  cis-160.5155-26.7-122.7162-169.200108.3
1328D33.9Very low32.7Very low140 Ų140137.8 Ų137.875%0.74976%0.76SS**  trans61.1142.9163.8-82.216.1000119.8
1329N34.3Very low33Very low118 Ų118137 Ų13763%0.63176%0.757SS**  cis-155.7160.4-3.8-139.6-49.4000111.9
1330Q34.2Very low32.8Very low174 Ų174137.8 Ų137.881%0.81376%0.763SS**  trans64.793.5164-57.9-178.113.700121.1
1331L27.9Very low33.2Very low167 Ų167134 Ų13487%0.87476%0.759SS**  trans-98.9163.7130.7-78.7166.1000108.2
1332P40.3Very low33.6Very low112 Ų112142.8 Ų142.873%0.72779%0.785SS**  -152.6138.3105.234.5-15.2000118.2
1333I32Very low33.9Very low150 Ų150141.5 Ų141.577%0.76978%0.78SS**  trans71.5119.8130.9-61.9170.4000120.1
1334G34.2Very low34Very low79 Ų79140.6 Ų140.681%0.81478%0.782SS**  trans-169.967165.800000110.9
1335H31.2Very low34.1Very low148 Ų148140 Ų14069%0.68579%0.787SS**  trans-71.6137.4-167.4-82.9-115.4000115
1336C33.4Very low34.3Very low113 Ų113141.5 Ų141.576%0.76479%0.791SS**  178.5111.2113.6-88.30000109.7
1337N32.7Very low34.2Very low133 Ų133142.8 Ų142.871%0.71180%0.795SS**  62.5101.690-77.76000114.8
1338C34.3Very low34.3Very low114 Ų114141.3 Ų141.377%0.7780%0.796SS**  178.8138.894-95.30000114.8
1339H33.7Very low34.3Very low173 Ų173141.4 Ų141.480%0.80180%0.799SS**  trans40.7114.4150.4-73.4-78000123.8
1340C35.3Very low34.3Very low114 Ų114143.2 Ų143.277%0.7781%0.812SS**  trans-9.4159.3140.2-48.20000121.9
1341S37.8Very low34.4Very low115 Ų115140.6 Ų140.680%0.80481%0.812SS**  trans8986.1148.3-54.70000118.3
1342Q39.6Very low34.9Very low269 Ų269138.2 Ų138.2100%1.25781%0.807SS**  -142.4083.7-128175.211.500111.6

Retrieved 1,342 of 1,342 residues in 234.1 ms (Link to these results)