Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7aqr_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 21.A O no hydrogen 2.607 N/A PHE 6.A N LEU 19.A O no hydrogen 2.907 N/A GLN 9.A N GLN 9.A OE1 no hydrogen 2.639 N/A GLY 15.A N ALA 13.A O no hydrogen 2.578 N/A LEU 19.A N PHE 6.A O no hydrogen 2.829 N/A VAL 20.A N GLU 32.A O no hydrogen 3.222 N/A LEU 21.A N LEU 4.A O no hydrogen 2.611 N/A GLU 22.A N ARG 30.A O no hydrogen 3.212 N/A MET 23.A N PHE 2.A O no hydrogen 3.306 N/A ASN 24.A N VAL 27.A O no hydrogen 3.182 N/A VAL 28.A N HIS 364.A O no hydrogen 3.043 N/A GLU 29.A N GLU 22.A O no hydrogen 2.812 N/A GLU 32.A N VAL 20.A O no hydrogen 3.365 N/A HIS 34.A N ARG 18.A O no hydrogen 2.793 N/A GLY 36.A N ASP 384.A OD2 no hydrogen 2.828 N/A LEU 38.A N ASP 384.A OD2 no hydrogen 3.024 N/A ARG 40.A N ARG 385.A O no hydrogen 3.125 N/A ARG 40.A NH2 ARG 60.A O no hydrogen 2.966 N/A ARG 40.A NH2 GLY 381.A O no hydrogen 3.419 N/A THR 42.A OG1 ARG 385.A O no hydrogen 2.731 N/A LEU 45.A N GLY 41.A O no hydrogen 3.079 N/A ILE 46.A N THR 42.A O no hydrogen 3.081 N/A TYR 48.A N LEU 45.A O no hydrogen 3.223 N/A LYS 49.A N ILE 46.A O no hydrogen 3.101 N/A TYR 51.A N ASN 339.A O no hydrogen 3.405 N/A ALA 54.A N THR 50.A O no hydrogen 2.829 N/A LEU 55.A N LEU 52.A O no hydrogen 3.415 N/A PHE 58.A N LEU 55.A O no hydrogen 3.027 N/A ASP 59.A N PRO 56.A O no hydrogen 3.301 N/A ARG 60.A N TYR 57.A O no hydrogen 3.327 N/A ARG 60.A NH1 PRO 56.A O no hydrogen 2.829 N/A SER 65.A N ASP 62.A O no hydrogen 2.933 N/A SER 65.A N ASP 62.A OD2 no hydrogen 3.013 N/A SER 65.A OG ASP 62.A OD2 no hydrogen 2.484 N/A SER 65.A OG SER 65.A O no hydrogen 2.597 N/A SER 65.A OG GLN 69.A OE1 no hydrogen 3.199 N/A GLN 69.A NE2 PHE 58.A O no hydrogen 3.439 N/A GLN 69.A NE2 ASP 62.A O no hydrogen 3.188 N/A GLN 69.A NE2 SER 65.A O no hydrogen 2.266 N/A HIS 71.A N MET 67.A O no hydrogen 2.907 N/A HIS 71.A NE2 ASP 231.A OD2 no hydrogen 3.009 N/A ALA 72.A N ALA 68.A O no hydrogen 3.260 N/A TYR 73.A N GLN 69.A O no hydrogen 2.940 N/A TYR 73.A OH TYR 51.A O no hydrogen 2.780 N/A SER 74.A N GLU 70.A O no hydrogen 2.868 N/A SER 74.A OG GLU 70.A O no hydrogen 2.777 N/A LEU 75.A N HIS 71.A O no hydrogen 2.896 N/A ALA 76.A N ALA 72.A O no hydrogen 2.918 N/A VAL 77.A N TYR 73.A O no hydrogen 2.961 N/A GLU 78.A N SER 74.A O no hydrogen 2.872 N/A LYS 79.A N LEU 75.A O no hydrogen 2.875 N/A LYS 79.A NZ THR 318.A OG1 no hydrogen 3.071 N/A LEU 80.A N ALA 76.A O no hydrogen 2.964 N/A LEU 81.A N GLU 78.A O no hydrogen 3.097 N/A CYS 83.A N GLU 78.A O no hydrogen 3.302 N/A CYS 83.A SG GLU 84.A O no hydrogen 3.946 N/A ARG 88.A NH1 PRO 274.A O no hydrogen 2.887 N/A ARG 88.A NH2 ASP 157.A OD1 no hydrogen 3.446 N/A GLN 90.A N PRO 86.A O no hydrogen 3.065 N/A TYR 91.A N LEU 87.A O no hydrogen 2.923 N/A TYR 91.A OH GLN 272.A OE1 no hydrogen 3.353 N/A ILE 92.A N ARG 88.A O no hydrogen 2.925 N/A ARG 93.A N ALA 89.A O no hydrogen 2.892 N/A ARG 93.A NH1 GLU 78.A OE2 no hydrogen 2.701 N/A ARG 93.A NH2 GLU 78.A OE1 no hydrogen 3.330 N/A ARG 93.A NH2 GLU 78.A OE2 no hydrogen 3.069 N/A ARG 93.A NH2 ASP 231.A OD1 no hydrogen 3.524 N/A VAL 94.A N GLN 90.A O no hydrogen 2.938 N/A LEU 95.A N TYR 91.A O no hydrogen 2.894 N/A PHE 96.A N ILE 92.A O no hydrogen 2.935 N/A CYS 97.A N ARG 93.A O no hydrogen 2.878 N/A CYS 97.A SG MET 67.A O no hydrogen 3.982 N/A CYS 97.A SG HIS 71.A ND1 no hydrogen 3.242 N/A CYS 97.A SG ARG 93.A O no hydrogen 3.339 N/A GLU 98.A N VAL 94.A O no hydrogen 2.939 N/A ILE 99.A N LEU 95.A O no hydrogen 2.932 N/A THR 100.A N PHE 96.A O no hydrogen 3.298 N/A THR 100.A OG1 PHE 96.A O no hydrogen 2.475 N/A THR 100.A OG1 TYR 136.A OH no hydrogen 2.135 N/A ARG 101.A N CYS 97.A O no hydrogen 2.888 N/A ARG 101.A NH2 GLU 323.A O no hydrogen 2.284 N/A ILE 102.A N GLU 98.A O no hydrogen 3.217 N/A LEU 103.A N ILE 99.A O no hydrogen 2.941 N/A ASN 104.A N THR 100.A O no hydrogen 2.912 N/A ASN 104.A ND2 ASP 377.A OD2 no hydrogen 2.825 N/A HIS 105.A N ARG 101.A O no hydrogen 2.933 N/A HIS 105.A ND1 ARG 101.A O no hydrogen 2.493 N/A HIS 105.A NE2 GLU 258.A OE1 no hydrogen 2.966 N/A LEU 106.A N ILE 102.A O no hydrogen 2.874 N/A LEU 107.A N LEU 103.A O no hydrogen 2.973 N/A ALA 108.A N ASN 104.A O no hydrogen 2.884 N/A LEU 109.A N HIS 105.A O no hydrogen 2.944 N/A THR 110.A N LEU 106.A O no hydrogen 3.494 N/A THR 110.A OG1 LEU 106.A O no hydrogen 2.822 N/A THR 110.A OG1 LEU 107.A O no hydrogen 3.458 N/A THR 111.A N LEU 107.A O no hydrogen 2.920 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.677 N/A THR 111.A OG1 ALA 108.A O no hydrogen 3.150 N/A HIS 112.A N ALA 108.A O no hydrogen 2.921 N/A ALA 113.A N LEU 109.A O no hydrogen 2.901 N/A MET 114.A N THR 110.A O no hydrogen 2.875 N/A VAL 116.A N HIS 112.A O no hydrogen 3.354 N/A GLY 117.A N ALA 113.A O no hydrogen 3.030 N/A ALA 118.A N ALA 113.A O no hydrogen 2.860 N/A TRP 124.A N THR 120.A O no hydrogen 3.512 N/A ALA 125.A N PRO 121.A O no hydrogen 2.906 N/A PHE 126.A N PHE 122.A O no hydrogen 2.945 N/A GLU 127.A N LEU 123.A O no hydrogen 2.970 N/A ARG 129.A N ALA 125.A O no hydrogen 2.881 N/A ARG 129.A NE LEU 103.A O no hydrogen 3.504 N/A GLU 130.A N PHE 126.A O no hydrogen 2.870 N/A LYS 131.A N GLU 127.A O no hydrogen 2.975 N/A LYS 131.A NZ GLU 128.A OE2 no hydrogen 3.187 N/A LEU 132.A N GLU 128.A O no hydrogen 2.900 N/A LEU 133.A N ARG 129.A O no hydrogen 2.876 N/A GLU 134.A N GLU 130.A O no hydrogen 2.955 N/A TYR 136.A N LEU 132.A O no hydrogen 3.385 N/A GLU 137.A N LEU 133.A O no hydrogen 2.907 N/A ARG 138.A N PHE 135.A O no hydrogen 3.068 N/A ARG 138.A NH1 ASP 165.A OD2 no hydrogen 2.291 N/A VAL 139.A N PHE 135.A O no hydrogen 3.301 N/A SER 140.A N TYR 136.A O no hydrogen 3.322 N/A SER 140.A OG TYR 136.A O no hydrogen 2.617 N/A SER 140.A OG ALA 142.A O no hydrogen 3.083 N/A ALA 142.A N SER 140.A OG no hydrogen 3.375 N/A ALA 146.A N MET 144.A O no hydrogen 3.088 N/A ARG 150.A NE SER 147.A O no hydrogen 3.112 N/A VAL 154.A N ILE 278.A O no hydrogen 2.974 N/A ALA 155.A N PHE 148.A O no hydrogen 2.684 N/A GLN 156.A NE2 VAL 139.A O no hydrogen 2.760 N/A LEU 158.A N ASP 157.A OD1 no hydrogen 2.691 N/A ASP 165.A N GLY 161.A O no hydrogen 2.965 N/A ILE 166.A N LEU 162.A O no hydrogen 2.883 N/A ASP 167.A N CYS 163.A O no hydrogen 2.926 N/A SER 168.A N ARG 164.A O no hydrogen 2.935 N/A SER 168.A OG ASP 165.A O no hydrogen 2.576 N/A PHE 169.A N ASP 165.A O no hydrogen 2.925 N/A THR 170.A N ILE 166.A O no hydrogen 2.914 N/A THR 170.A OG1 ILE 166.A O no hydrogen 3.321 N/A THR 170.A OG1 ASP 167.A O no hydrogen 2.649 N/A GLN 171.A N ASP 167.A O no hydrogen 2.971 N/A GLN 171.A NE2 ASP 167.A OD2 no hydrogen 3.361 N/A GLN 172.A N PHE 169.A O no hydrogen 3.115 N/A GLN 172.A NE2 GLU 128.A OE1 no hydrogen 2.963 N/A GLN 172.A NE2 PHE 169.A O no hydrogen 3.521 N/A PHE 173.A N PHE 169.A O no hydrogen 2.970 N/A SER 175.A OG GLN 172.A O no hydrogen 2.833 N/A ARG 176.A N GLN 172.A O no hydrogen 3.032 N/A ARG 176.A NE GLU 179.A OE1 no hydrogen 3.108 N/A ARG 176.A NH1 GLN 172.A OE1 no hydrogen 2.556 N/A ARG 176.A NH2 GLU 179.A OE1 no hydrogen 3.390 N/A ARG 176.A NH2 GLU 179.A OE2 no hydrogen 3.135 N/A ILE 177.A N PHE 173.A O no hydrogen 2.900 N/A ASP 178.A N ALA 174.A O no hydrogen 2.916 N/A GLU 179.A N SER 175.A O no hydrogen 2.940 N/A LEU 180.A N ARG 176.A O no hydrogen 2.981 N/A GLU 181.A N ILE 177.A O no hydrogen 2.882 N/A GLU 182.A N ASP 178.A O no hydrogen 2.902 N/A MET 183.A N GLU 179.A O no hydrogen 2.987 N/A LEU 184.A N GLU 181.A O no hydrogen 2.791 N/A THR 185.A N GLU 181.A O no hydrogen 2.546 N/A THR 185.A OG1 GLU 181.A O no hydrogen 3.202 N/A THR 185.A OG1 TYR 252.A OH no hydrogen 2.571 N/A LYS 191.A N ASN 187.A O no hydrogen 3.154 N/A LYS 191.A NZ THR 185.A O no hydrogen 3.273 N/A LYS 191.A NZ TYR 249.A OH no hydrogen 2.795 N/A GLN 192.A N ARG 188.A O no hydrogen 2.798 N/A ARG 193.A N ILE 189.A O no hydrogen 2.922 N/A LEU 194.A N LYS 191.A O no hydrogen 3.212 N/A VAL 195.A N LYS 191.A O no hydrogen 2.833 N/A ASP 196.A N ASP 247.A OD2 no hydrogen 3.149 N/A ILE 197.A N LEU 194.A O no hydrogen 3.354 N/A THR 201.A N GLN 204.A OE1 no hydrogen 3.311 N/A THR 201.A OG1 GLN 204.A OE1 no hydrogen 3.478 N/A GLN 204.A N THR 201.A OG1 no hydrogen 3.153 N/A ALA 205.A N THR 201.A O no hydrogen 3.025 N/A LYS 206.A N ALA 202.A O no hydrogen 2.918 N/A ASP 207.A N GLN 203.A O no hydrogen 2.892 N/A TRP 208.A N GLN 204.A O no hydrogen 2.910 N/A GLY 209.A N LYS 206.A O no hydrogen 3.370 N/A PHE 210.A N ALA 205.A O no hydrogen 2.789 N/A SER 211.A N HIS 353.A NE2 no hydrogen 3.381 N/A LEU 215.A N GLY 212.A O no hydrogen 3.193 N/A ARG 216.A N GLY 212.A O no hydrogen 2.854 N/A ARG 216.A NH1 TRP 222.A O no hydrogen 3.218 N/A ARG 216.A NH2 GLU 258.A OE2 no hydrogen 2.463 N/A GLY 217.A N VAL 213.A O no hydrogen 2.989 N/A SER 218.A N LEU 215.A O no hydrogen 3.281 N/A SER 218.A OG VAL 200.A O no hydrogen 3.179 N/A TRP 222.A N VAL 220.A O no hydrogen 3.088 N/A LEU 224.A N GLU 323.A OE1 no hydrogen 3.335 N/A ARG 225.A N ASP 223.A OD1 no hydrogen 3.315 N/A ARG 225.A NH1 GLU 98.A OE2 no hydrogen 2.808 N/A ARG 225.A NH2 ASP 223.A OD2 no hydrogen 3.182 N/A ARG 226.A N ASP 223.A O no hydrogen 3.189 N/A ARG 226.A NH1 TYR 233.A O no hydrogen 2.953 N/A ARG 226.A NH1 LEU 236.A O no hydrogen 3.299 N/A ARG 226.A NH2 LEU 236.A O no hydrogen 2.918 N/A ARG 226.A NH2 PHE 238.A O no hydrogen 3.292 N/A ALA 227.A N ASP 223.A O no hydrogen 2.842 N/A ALA 228.A N LEU 224.A O no hydrogen 3.281 N/A TYR 233.A N TYR 230.A O no hydrogen 3.209 N/A TYR 233.A OH GLU 98.A OE2 no hydrogen 2.400 N/A GLN 235.A N VAL 232.A O no hydrogen 3.105 N/A LEU 236.A N TYR 233.A O no hydrogen 3.486 N/A ASP 237.A N GLN 268.A OE1 no hydrogen 2.876 N/A ASP 239.A N GLN 261.A OE1 no hydrogen 2.922 N/A GLY 243.A N ARG 216.A O no hydrogen 2.919 N/A ARG 245.A N ASP 250.A OD2 no hydrogen 2.754 N/A GLY 246.A N ASP 250.A OD2 no hydrogen 3.165 N/A CYS 248.A N ILE 197.A O no hydrogen 2.814 N/A CYS 248.A SG ILE 197.A O no hydrogen 3.174 N/A TYR 249.A OH THR 185.A O no hydrogen 3.001 N/A ASP 250.A N ASP 247.A OD1 no hydrogen 3.192 N/A ARG 251.A NH1 GLY 246.A O no hydrogen 2.549 N/A ARG 251.A NH2 GLY 198.A O no hydrogen 2.356 N/A ARG 251.A NH2 GLY 246.A O no hydrogen 3.347 N/A TYR 252.A N TYR 249.A O no hydrogen 3.149 N/A TYR 252.A OH THR 185.A OG1 no hydrogen 2.571 N/A CYS 253.A N TYR 249.A O no hydrogen 2.949 N/A CYS 253.A SG TYR 249.A O no hydrogen 3.809 N/A ILE 254.A N ASP 250.A O no hydrogen 2.890 N/A ARG 255.A N ARG 251.A O no hydrogen 3.124 N/A ARG 255.A NH2 THR 375.A O no hydrogen 2.659 N/A ILE 256.A N TYR 252.A O no hydrogen 2.947 N/A ILE 256.A N CYS 253.A O no hydrogen 3.194 N/A GLU 257.A N CYS 253.A O no hydrogen 2.948 N/A GLU 258.A N ILE 254.A O no hydrogen 2.862 N/A MET 259.A N ILE 256.A O no hydrogen 3.127 N/A ARG 260.A N ILE 256.A O no hydrogen 3.022 N/A ARG 260.A NH1 ASP 178.A OD1 no hydrogen 3.117 N/A ARG 260.A NH2 ASP 178.A OD1 no hydrogen 2.403 N/A ARG 260.A NH2 GLU 181.A OE2 no hydrogen 2.397 N/A GLN 261.A N GLU 257.A O no hydrogen 2.894 N/A SER 262.A N GLU 258.A O no hydrogen 3.074 N/A SER 262.A OG GLU 98.A OE1 no hydrogen 3.007 N/A SER 262.A OG GLU 258.A O no hydrogen 2.576 N/A LEU 263.A N MET 259.A O no hydrogen 2.954 N/A ARG 264.A N ARG 260.A O no hydrogen 2.995 N/A ARG 264.A NH1 ASP 239.A OD2 no hydrogen 3.427 N/A ARG 264.A NH1 GLN 261.A OE1 no hydrogen 3.328 N/A ILE 265.A N GLN 261.A O no hydrogen 2.896 N/A ILE 266.A N SER 262.A O no hydrogen 2.890 N/A VAL 267.A N LEU 263.A O no hydrogen 2.966 N/A GLN 268.A N ARG 264.A O no hydrogen 3.005 N/A GLN 268.A NE2 ASP 237.A O no hydrogen 2.448 N/A GLN 268.A NE2 ARG 264.A O no hydrogen 3.445 N/A CYS 269.A N ILE 265.A O no hydrogen 2.873 N/A CYS 269.A SG ILE 265.A O no hydrogen 3.212 N/A LEU 270.A N ILE 266.A O no hydrogen 2.917 N/A ASN 271.A N VAL 267.A O no hydrogen 2.970 N/A ASN 271.A ND2 VAL 267.A O no hydrogen 3.223 N/A GLN 272.A N GLN 268.A O no hydrogen 2.924 N/A LEU 285.A N ASP 282.A O no hydrogen 2.831 N/A CYS 286.A N ASP 282.A O no hydrogen 3.167 N/A CYS 286.A SG ALA 280.A O no hydrogen 3.433 N/A ARG 292.A N SER 289.A O no hydrogen 2.943 N/A MET 293.A N SER 289.A O no hydrogen 2.963 N/A LEU 295.A N ARG 292.A O no hydrogen 3.390 N/A SER 296.A N ARG 292.A O no hydrogen 2.902 N/A LEU 300.A N SER 296.A O no hydrogen 3.230 N/A ILE 301.A N MET 297.A O no hydrogen 2.948 N/A HIS 302.A N GLU 298.A O no hydrogen 2.886 N/A HIS 303.A N SER 299.A O no hydrogen 2.914 N/A PHE 304.A N LEU 300.A O no hydrogen 2.916 N/A GLU 305.A N ILE 301.A O no hydrogen 2.921 N/A LEU 306.A N HIS 302.A O no hydrogen 2.881 N/A TYR 307.A N HIS 303.A O no hydrogen 2.981 N/A THR 308.A OG1 PHE 304.A O no hydrogen 2.582 N/A GLU 309.A N GLU 305.A O no hydrogen 2.941 N/A GLY 310.A N GLU 305.A O no hydrogen 2.941 N/A SER 316.A N SER 335.A O no hydrogen 3.134 N/A THR 318.A N LEU 333.A O no hydrogen 3.170 N/A TYR 319.A OH GLU 328.A OE2 no hydrogen 3.102 N/A THR 320.A N VAL 331.A O no hydrogen 3.225 N/A VAL 322.A N PHE 329.A O no hydrogen 2.974 N/A GLU 323.A N TYR 230.A OH no hydrogen 3.049 N/A LYS 326.A NZ ASP 62.A OD1 no hydrogen 2.463 N/A LYS 326.A NZ ASP 377.A O no hydrogen 3.295 N/A LYS 326.A NZ GLU 382.A OE2 no hydrogen 3.522 N/A GLU 328.A N SER 211.A OG no hydrogen 3.181 N/A PHE 329.A N VAL 322.A O no hydrogen 3.112 N/A GLY 330.A N ARG 347.A O no hydrogen 3.220 N/A VAL 331.A N THR 320.A O no hydrogen 2.923 N/A PHE 332.A N LYS 345.A O no hydrogen 2.976 N/A LEU 333.A N THR 318.A O no hydrogen 3.105 N/A VAL 334.A N ARG 343.A O no hydrogen 2.725 N/A SER 335.A N SER 316.A O no hydrogen 2.755 N/A SER 335.A OG TYR 51.A OH no hydrogen 3.237 N/A SER 335.A OG VAL 313.A O no hydrogen 2.820 N/A SER 335.A OG PRO 314.A O no hydrogen 3.484 N/A GLY 337.A N SER 335.A OG no hydrogen 3.337 N/A SER 338.A OG ASN 336.A OD1 no hydrogen 3.062 N/A SER 338.A OG ARG 340.A O no hydrogen 3.063 N/A ASN 339.A ND2 GLU 309.A O no hydrogen 3.311 N/A ARG 340.A N SER 338.A OG no hydrogen 3.374 N/A ARG 340.A NH1 GLU 47.A O no hydrogen 2.635 N/A TYR 342.A N VAL 334.A O no hydrogen 2.890 N/A ARG 343.A N VAL 334.A O no hydrogen 3.266 N/A ARG 343.A NH1 GLU 43.A OE1 no hydrogen 3.537 N/A LYS 345.A N PHE 332.A O no hydrogen 3.052 N/A ILE 346.A N GLU 43.A OE2 no hydrogen 3.176 N/A ARG 347.A N GLY 330.A O no hydrogen 2.803 N/A ARG 347.A NH1 GLU 328.A O no hydrogen 3.108 N/A ARG 347.A NH2 GLY 209.A O no hydrogen 3.147 N/A GLY 350.A N GLU 382.A OE2 no hydrogen 2.984 N/A PHE 351.A N ALA 348.A O no hydrogen 3.173 N/A HIS 353.A N PRO 349.A O no hydrogen 3.089 N/A HIS 353.A N GLY 350.A O no hydrogen 3.230 N/A SER 354.A N GLY 350.A O no hydrogen 2.898 N/A GLY 356.A N HIS 353.A O no hydrogen 3.220 N/A LEU 357.A N SER 354.A O no hydrogen 3.444 N/A MET 360.A N GLY 356.A O no hydrogen 3.321 N/A SER 361.A N LEU 357.A O no hydrogen 3.183 N/A SER 361.A OG LEU 357.A O no hydrogen 2.725 N/A HIS 363.A N VAL 28.A O no hydrogen 2.882 N/A ASP 368.A N MET 365.A O no hydrogen 3.119 N/A VAL 369.A N LEU 366.A O no hydrogen 3.180 N/A THR 371.A OG1 ASP 368.A O no hydrogen 2.817 N/A ILE 372.A N ASP 368.A O no hydrogen 3.463 N/A ILE 373.A N VAL 369.A O no hydrogen 3.011 N/A GLY 374.A N VAL 370.A O no hydrogen 2.898 N/A THR 375.A N THR 371.A O no hydrogen 2.903 N/A ASP 377.A N GLY 374.A O no hydrogen 3.344 N/A ARG 385.A NH1 GLU 382.A O no hydrogen 2.952 N/A