Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xal_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 17.A OE1 no hydrogen 3.551 N/A LYS 2.A NZ TYR 23.A OH no hydrogen 2.885 N/A LEU 3.A N ILE 14.A O no hydrogen 3.197 N/A THR 5.A N TYR 12.A O no hydrogen 3.017 N/A THR 5.A OG1 ASN 11.A OD1 no hydrogen 2.692 N/A THR 5.A OG1 TYR 12.A O no hydrogen 3.318 N/A TYR 7.A OH VAL 221.A O no hydrogen 3.023 N/A ASN 11.A ND2 TYR 7.A O no hydrogen 2.462 N/A ILE 14.A N LEU 3.A O no hydrogen 2.599 N/A TYR 15.A N VAL 153.A O no hydrogen 2.771 N/A TYR 15.A OH TYR 27.A OH no hydrogen 3.257 N/A VAL 16.A N MET 1.A O no hydrogen 3.296 N/A GLU 17.A N TYR 155.A O no hydrogen 3.054 N/A HIS 18.A ND1 ASP 158.A OD1 no hydrogen 3.008 N/A HIS 18.A NE2 ASP 207.A OD1 no hydrogen 2.819 N/A HIS 18.A NE2 ASP 207.A OD2 no hydrogen 3.087 N/A GLY 19.A N ASP 156.A OD2 no hydrogen 2.346 N/A ALA 20.A N GLU 17.A O no hydrogen 3.299 N/A LYS 22.A N GLY 19.A O no hydrogen 3.116 N/A TYR 23.A N ALA 20.A O no hydrogen 3.114 N/A TYR 23.A OH GLU 17.A OE1 no hydrogen 3.258 N/A TYR 23.A OH GLU 17.A OE2 no hydrogen 3.171 N/A ILE 24.A N ILE 21.A O no hydrogen 3.417 N/A GLY 25.A N LYS 22.A O no hydrogen 3.391 N/A THR 26.A OG1 TYR 23.A O no hydrogen 2.571 N/A TYR 27.A N ILE 24.A O no hydrogen 3.351 N/A TYR 27.A OH TYR 15.A OH no hydrogen 3.257 N/A ASP 32.A N ASN 87.A O no hydrogen 3.212 N/A GLN 33.A NE2 HIS 82.A O no hydrogen 2.984 N/A SER 34.A OG GLN 33.A O no hydrogen 2.742 N/A PHE 35.A N ALA 89.A O no hydrogen 2.983 N/A LEU 36.A N HIS 56.A O no hydrogen 2.679 N/A LEU 37.A N ILE 91.A O no hydrogen 2.988 N/A ILE 38.A N VAL 58.A O no hydrogen 2.988 N/A ASP 39.A N VAL 93.A O no hydrogen 3.379 N/A ASN 43.A N ASP 39.A O no hydrogen 2.577 N/A TYR 45.A N TYR 41.A O no hydrogen 3.010 N/A PHE 46.A N VAL 42.A O no hydrogen 2.941 N/A LYS 49.A NZ ASP 156.A OD1 no hydrogen 3.222 N/A ASP 51.A N ASN 48.A O no hydrogen 2.742 N/A ILE 53.A N PHE 50.A O no hydrogen 2.693 N/A HIS 56.A N SER 34.A O no hydrogen 2.814 N/A HIS 56.A NE2 GLN 33.A OE1 no hydrogen 3.119 N/A LYS 57.A NZ ASN 43.A OD1 no hydrogen 2.598 N/A VAL 58.A N LEU 36.A O no hydrogen 2.420 N/A ILE 60.A N ILE 38.A O no hydrogen 2.677 N/A GLY 63.A N ASP 39.A OD2 no hydrogen 3.369 N/A THR 66.A N GLY 63.A O no hydrogen 3.002 N/A LYS 67.A N GLU 64.A O no hydrogen 3.241 N/A LYS 67.A NZ ASP 100.A OD1 no hydrogen 3.213 N/A LYS 67.A NZ ASN 142.A OD1 no hydrogen 2.914 N/A THR 68.A N THR 66.A O no hydrogen 3.043 N/A THR 68.A OG1 GLU 70.A OE2 no hydrogen 3.412 N/A GLN 71.A N THR 68.A OG1 no hydrogen 3.126 N/A GLN 71.A NE2 GLN 71.A O no hydrogen 3.294 N/A GLN 71.A NE2 THR 75.A OG1 no hydrogen 3.399 N/A TYR 72.A N THR 68.A O no hydrogen 3.055 N/A TYR 72.A OH THR 108.A OG1 no hydrogen 2.545 N/A GLN 73.A N PHE 69.A O no hydrogen 2.979 N/A GLU 74.A N GLU 70.A O no hydrogen 3.245 N/A THR 75.A N GLN 71.A O no hydrogen 3.317 N/A THR 75.A OG1 GLN 71.A O no hydrogen 3.007 N/A LEU 76.A N TYR 72.A O no hydrogen 3.128 N/A GLU 77.A N GLN 73.A O no hydrogen 3.061 N/A TYR 78.A N GLU 74.A O no hydrogen 3.125 N/A ILE 79.A N THR 75.A O no hydrogen 2.850 N/A LEU 80.A N LEU 76.A O no hydrogen 2.734 N/A LEU 80.A N GLU 77.A O no hydrogen 2.778 N/A SER 81.A N GLU 77.A O no hydrogen 2.922 N/A SER 81.A N TYR 78.A O no hydrogen 2.993 N/A SER 81.A OG TYR 78.A O no hydrogen 2.658 N/A SER 81.A OG HIS 82.A ND1 no hydrogen 3.141 N/A HIS 82.A ND1 SER 81.A OG no hydrogen 3.141 N/A THR 85.A N THR 88.A OG1 no hydrogen 3.369 N/A THR 85.A OG1 ASP 32.A OD2 no hydrogen 2.561 N/A ARG 86.A NH2 GLY 112.A O no hydrogen 3.440 N/A ASN 87.A ND2 GLN 30.A O no hydrogen 3.372 N/A ASN 87.A ND2 ASP 32.A OD2 no hydrogen 3.529 N/A THR 88.A OG1 THR 85.A O no hydrogen 2.849 N/A ALA 89.A N GLN 33.A O no hydrogen 3.440 N/A ILE 90.A N HIS 114.A O no hydrogen 2.683 N/A ILE 91.A N PHE 35.A O no hydrogen 3.020 N/A ALA 92.A N ILE 116.A O no hydrogen 2.901 N/A VAL 93.A N LEU 37.A O no hydrogen 2.943 N/A GLY 94.A N VAL 118.A O no hydrogen 3.303 N/A THR 98.A N GLY 95.A O no hydrogen 3.064 N/A GLY 99.A N GLY 95.A O no hydrogen 3.117 N/A ASP 100.A N GLY 96.A O no hydrogen 2.638 N/A PHE 101.A N ALA 97.A O no hydrogen 3.168 N/A ALA 102.A N THR 98.A O no hydrogen 2.841 N/A GLY 103.A N GLY 99.A O no hydrogen 2.671 N/A PHE 104.A N ASP 100.A O no hydrogen 3.330 N/A VAL 105.A N PHE 101.A O no hydrogen 3.034 N/A ALA 106.A N ALA 102.A O no hydrogen 2.753 N/A ALA 107.A N GLY 103.A O no hydrogen 2.545 N/A THR 108.A N PHE 104.A O no hydrogen 2.913 N/A THR 108.A N VAL 105.A O no hydrogen 3.022 N/A THR 108.A OG1 TYR 72.A OH no hydrogen 2.545 N/A THR 108.A OG1 PHE 104.A O no hydrogen 2.953 N/A THR 108.A OG1 VAL 105.A O no hydrogen 3.091 N/A LEU 109.A N VAL 105.A O no hydrogen 2.662 N/A ARG 111.A N THR 108.A O no hydrogen 2.701 N/A GLY 112.A N LEU 109.A O no hydrogen 2.913 N/A VAL 113.A N ALA 106.A O no hydrogen 3.033 N/A HIS 114.A N THR 88.A O no hydrogen 2.750 N/A HIS 114.A NE2 ASN 87.A OD1 no hydrogen 3.109 N/A PHE 115.A N THR 151.A OG1 no hydrogen 3.160 N/A ILE 116.A N ILE 90.A O no hydrogen 2.718 N/A GLN 117.A N ALA 152.A O no hydrogen 2.935 N/A VAL 118.A N ALA 92.A O no hydrogen 2.769 N/A THR 120.A N GLY 94.A O no hydrogen 3.100 N/A ALA 124.A N THR 121.A OG1 no hydrogen 3.027 N/A HIS 125.A N ILE 122.A O no hydrogen 2.955 N/A HIS 125.A ND1 ILE 122.A O no hydrogen 3.095 N/A HIS 125.A NE2 HIS 178.A ND1 no hydrogen 2.912 N/A ASP 126.A N LEU 123.A O no hydrogen 3.065 N/A SER 128.A N ALA 124.A O no hydrogen 3.166 N/A SER 128.A OG ALA 124.A O no hydrogen 2.633 N/A VAL 129.A N ASP 126.A O no hydrogen 3.226 N/A GLY 130.A N TYR 12.A OH no hydrogen 2.729 N/A LYS 132.A NZ GLU 227.A OE2 no hydrogen 2.796 N/A GLY 134.A N ASP 100.A O no hydrogen 2.815 N/A ILE 135.A N ILE 144.A O no hydrogen 2.676 N/A ASN 136.A N LYS 67.A O no hydrogen 3.047 N/A ASN 136.A ND2 GLU 64.A OE1 no hydrogen 3.087 N/A ASN 136.A ND2 LYS 67.A O no hydrogen 3.369 N/A SER 137.A N GLY 140.A O no hydrogen 3.254 N/A GLN 139.A N SER 137.A OG no hydrogen 2.989 N/A GLY 140.A N SER 137.A O no hydrogen 3.387 N/A LYS 141.A NZ GLU 245.A OE1 no hydrogen 3.001 N/A LYS 141.A NZ GLU 245.A OE2 no hydrogen 3.471 N/A ASN 142.A N ASN 136.A OD1 no hydrogen 2.828 N/A ALA 146.A N VAL 133.A O no hydrogen 2.881 N/A TYR 148.A N GLY 131.A O no hydrogen 2.603 N/A TYR 148.A OH VAL 113.A O no hydrogen 2.296 N/A ARG 149.A NE GLU 225.A OE1 no hydrogen 2.831 N/A ARG 149.A NH1 SER 9.A O no hydrogen 2.560 N/A ARG 149.A NH1 ASN 10.A O no hydrogen 2.935 N/A ARG 149.A NH2 GLU 225.A OE1 no hydrogen 3.541 N/A ARG 149.A NH2 GLU 225.A OE2 no hydrogen 3.158 N/A THR 151.A N PHE 115.A O no hydrogen 2.427 N/A VAL 153.A N PRO 13.A O no hydrogen 2.822 N/A ILE 154.A N GLN 117.A O no hydrogen 2.600 N/A TYR 155.A N TYR 15.A O no hydrogen 2.799 N/A TYR 155.A OH THR 121.A O no hydrogen 2.409 N/A LEU 157.A N GLU 17.A O no hydrogen 3.020 N/A ASP 158.A N ASP 156.A OD2 no hydrogen 3.200 N/A PHE 159.A N ASP 156.A O no hydrogen 2.933 N/A LEU 163.A N LEU 160.A O no hydrogen 3.042 N/A GLN 167.A N PRO 164.A O no hydrogen 3.002 N/A ILE 168.A N PRO 164.A O no hydrogen 3.037 N/A LEU 169.A N PHE 165.A O no hydrogen 2.710 N/A SER 170.A N LYS 166.A O no hydrogen 3.397 N/A GLY 171.A N GLN 167.A O no hydrogen 2.993 N/A TYR 172.A N ILE 168.A O no hydrogen 2.941 N/A TYR 172.A OH TYR 283.A OH no hydrogen 2.849 N/A GLU 174.A N GLY 171.A O no hydrogen 2.774 N/A TYR 176.A N TYR 172.A O no hydrogen 2.635 N/A TYR 176.A OH GLU 191.A OE1 no hydrogen 2.919 N/A LYS 177.A N ALA 173.A O no hydrogen 2.785 N/A LYS 177.A NZ GLU 174.A OE2 no hydrogen 2.738 N/A LYS 177.A NZ LEU 234.A O no hydrogen 2.744 N/A HIS 178.A N GLU 174.A O no hydrogen 2.921 N/A HIS 178.A ND1 HIS 125.A NE2 no hydrogen 2.912 N/A ALA 179.A N VAL 175.A O no hydrogen 3.094 N/A LEU 180.A N TYR 176.A O no hydrogen 2.853 N/A LEU 181.A N LYS 177.A O no hydrogen 2.960 N/A ASN 182.A N ALA 179.A O no hydrogen 2.768 N/A ASN 182.A ND2 HIS 178.A O no hydrogen 2.867 N/A ASN 182.A ND2 THR 216.A OG1 no hydrogen 2.523 N/A GLY 183.A N LEU 180.A O no hydrogen 3.270 N/A THR 187.A N GLY 183.A O no hydrogen 3.405 N/A THR 187.A OG1 ALA 179.A O no hydrogen 3.478 N/A THR 187.A OG1 GLY 183.A O no hydrogen 3.040 N/A GLN 188.A N GLU 184.A O no hydrogen 3.166 N/A ILE 190.A N ALA 186.A O no hydrogen 2.908 N/A GLU 191.A N THR 187.A O no hydrogen 2.797 N/A GLN 192.A N GLN 188.A O no hydrogen 3.175 N/A GLN 192.A NE2 GLN 188.A O no hydrogen 3.040 N/A HIS 193.A N ILE 190.A O no hydrogen 2.916 N/A HIS 193.A NE2 ASN 204.A O no hydrogen 2.725 N/A PHE 194.A N ILE 190.A O no hydrogen 3.002 N/A ARG 197.A N GLN 286.A O no hydrogen 2.705 N/A ILE 199.A N ASP 196.A OD1 no hydrogen 2.691 N/A LEU 200.A N ASP 196.A O no hydrogen 3.001 N/A GLN 201.A N ARG 197.A O no hydrogen 2.843 N/A SER 202.A N GLU 198.A O no hydrogen 3.179 N/A SER 202.A OG ILE 199.A O no hydrogen 2.340 N/A LEU 203.A N LEU 200.A O no hydrogen 2.552 N/A ASN 204.A N SER 202.A OG no hydrogen 3.361 N/A MET 206.A N LEU 203.A O no hydrogen 3.070 N/A TYR 209.A OH ASP 189.A OD2 no hydrogen 3.057 N/A ILE 210.A N MET 206.A O no hydrogen 2.913 N/A ALA 211.A N ASP 207.A O no hydrogen 3.182 N/A LYS 212.A N LYS 208.A O no hydrogen 3.286 N/A GLY 213.A N TYR 209.A O no hydrogen 2.979 N/A ILE 214.A N ILE 210.A O no hydrogen 2.954 N/A GLU 215.A N ALA 211.A O no hydrogen 3.249 N/A THR 216.A N LYS 212.A O no hydrogen 2.718 N/A THR 216.A OG1 LYS 212.A O no hydrogen 2.904 N/A LYS 217.A N GLY 213.A O no hydrogen 3.206 N/A LYS 217.A NZ ASP 126.A O no hydrogen 2.493 N/A LYS 217.A NZ ASP 126.A OD1 no hydrogen 2.887 N/A LYS 217.A NZ VAL 129.A O no hydrogen 2.700 N/A LEU 218.A N ILE 214.A O no hydrogen 2.609 N/A ASP 219.A N GLU 215.A O no hydrogen 3.001 N/A ASP 219.A N THR 216.A O no hydrogen 3.224 N/A ILE 220.A N THR 216.A O no hydrogen 3.402 N/A VAL 221.A N LYS 217.A O no hydrogen 2.803 N/A VAL 222.A N LEU 218.A O no hydrogen 3.127 N/A ALA 223.A N ASP 219.A O no hydrogen 3.131 N/A ALA 223.A N ILE 220.A O no hydrogen 2.859 N/A GLU 225.A N ALA 223.A O no hydrogen 2.962 N/A GLN 228.A N ASP 224.A OD1 no hydrogen 2.649 N/A GLY 229.A N ASP 224.A OD1 no hydrogen 2.646 N/A GLY 229.A N ASP 224.A OD2 no hydrogen 2.835 N/A ARG 231.A N ASP 224.A OD2 no hydrogen 2.986 N/A ARG 231.A NH1 GLY 130.A O no hydrogen 3.465 N/A LYS 232.A N GLY 229.A O no hydrogen 3.210 N/A PHE 233.A N VAL 230.A O no hydrogen 2.675 N/A ASN 235.A N LYS 232.A O no hydrogen 3.371 N/A HIS 238.A N ASN 235.A O no hydrogen 3.367 N/A HIS 238.A ND1 LEU 236.A O no hydrogen 2.716 N/A GLY 241.A N GLY 237.A O no hydrogen 2.814 N/A VAL 244.A N PHE 240.A O no hydrogen 3.037 N/A GLU 245.A N GLY 241.A O no hydrogen 2.868 N/A TYR 246.A N HIS 242.A O no hydrogen 3.348 N/A TYR 247.A N ALA 243.A O no hydrogen 3.033 N/A HIS 248.A N GLU 245.A O no hydrogen 2.707 N/A LYS 249.A N GLU 245.A O no hydrogen 2.456 N/A HIS 252.A ND1 GLU 245.A OE1 no hydrogen 3.063 N/A HIS 252.A ND1 GLU 245.A OE2 no hydrogen 2.651 N/A GLY 253.A N SER 170.A OG no hydrogen 3.257 N/A ALA 255.A N PRO 251.A O no hydrogen 3.367 N/A VAL 256.A N HIS 252.A O no hydrogen 2.954 N/A MET 257.A N GLY 253.A O no hydrogen 2.834 N/A VAL 258.A N HIS 254.A O no hydrogen 3.170 N/A GLY 259.A N ALA 255.A O no hydrogen 2.723 N/A ILE 260.A N VAL 256.A O no hydrogen 2.513 N/A ILE 261.A N MET 257.A O no hydrogen 2.968 N/A ILE 261.A N VAL 258.A O no hydrogen 2.908 N/A TYR 262.A N VAL 258.A O no hydrogen 2.936 N/A TYR 262.A OH LEU 326.A O no hydrogen 2.540 N/A GLN 263.A N GLY 259.A O no hydrogen 2.764 N/A GLN 263.A NE2 ILE 260.A O no hydrogen 2.537 N/A ILE 265.A N ILE 261.A O no hydrogen 2.898 N/A VAL 266.A N TYR 262.A O no hydrogen 2.929 N/A ALA 267.A N GLN 263.A O no hydrogen 2.801 N/A ASN 268.A N PHE 264.A O no hydrogen 2.989 N/A ASN 268.A ND2 HIS 275.A O no hydrogen 3.457 N/A ALA 269.A N ILE 265.A O no hydrogen 3.227 N/A LEU 270.A N ALA 267.A O no hydrogen 3.190 N/A PHE 271.A N ALA 267.A O no hydrogen 2.757 N/A SER 273.A OG ALA 267.A O no hydrogen 3.384 N/A LYS 274.A NZ ASP 272.A OD2 no hydrogen 3.209 N/A ILE 277.A N HIS 275.A O no hydrogen 3.002 N/A HIS 279.A N ASP 276.A O no hydrogen 2.768 N/A HIS 279.A N ASP 276.A OD1 no hydrogen 2.999 N/A TYR 280.A N ASP 276.A O no hydrogen 3.340 N/A ILE 281.A N ILE 277.A O no hydrogen 2.913 N/A GLN 282.A N SER 278.A O no hydrogen 3.128 N/A GLN 282.A NE2 GLN 286.A OE1 no hydrogen 3.091 N/A TYR 283.A N HIS 279.A O no hydrogen 3.154 N/A TYR 283.A OH TYR 172.A OH no hydrogen 2.849 N/A TYR 283.A OH PHE 194.A O no hydrogen 2.826 N/A LEU 284.A N TYR 280.A O no hydrogen 3.174 N/A ILE 285.A N ILE 281.A O no hydrogen 3.027 N/A GLN 286.A N GLN 282.A O no hydrogen 2.747 N/A LEU 287.A N TYR 283.A O no hydrogen 2.941 N/A GLY 288.A N LEU 284.A O no hydrogen 3.093 N/A GLY 288.A N ILE 285.A O no hydrogen 2.960 N/A TYR 289.A N LEU 284.A O no hydrogen 2.831 N/A TYR 289.A OH LEU 169.A O no hydrogen 2.549 N/A LYS 298.A NZ ASN 142.A O no hydrogen 3.009 N/A LYS 299.A N ASP 297.A OD2 no hydrogen 3.001 N/A LYS 299.A NZ THR 239.A OG1 no hydrogen 2.514 N/A LYS 299.A NZ GLN 306.A O no hydrogen 2.988 N/A GLY 304.A N ASP 301.A O no hydrogen 3.222 N/A GLN 306.A NE2 GLY 304.A O no hydrogen 3.448 N/A MET 307.A N GLN 319.A O no hydrogen 3.080 N/A LEU 309.A N VAL 317.A O no hydrogen 2.812 N/A MET 310.A N GLN 263.A OE1 no hydrogen 3.167 N/A ARG 311.A N ASP 315.A O no hydrogen 3.202 N/A ARG 311.A NH1 ASP 315.A OD2 no hydrogen 2.789 N/A VAL 317.A N LEU 309.A O no hydrogen 2.785 N/A GLN 319.A N MET 307.A O no hydrogen 3.168 N/A GLN 319.A NE2 HIS 320.A O no hydrogen 3.167 N/A THR 325.A N ASP 322.A OD2 no hydrogen 2.746 N/A THR 325.A OG1 ASP 322.A OD2 no hydrogen 2.811 N/A LEU 326.A N ASP 322.A O no hydrogen 3.293 N/A GLN 327.A N LEU 324.A O no hydrogen 2.967 N/A ALA 329.A N THR 325.A O no hydrogen 3.299 N/A CYS 330.A SG CYS 330.A O no hydrogen 2.795 N/A GLU 331.A N HIS 328.A O no hydrogen 3.278 N/A GLN 332.A N HIS 328.A O no hydrogen 2.458 N/A LEU 333.A N ALA 329.A O no hydrogen 2.767 N/A LYS 334.A N GLU 331.A O no hydrogen 2.960 N/A LYS 334.A NZ CYS 330.A O no hydrogen 3.525 N/A THR 335.A N GLN 332.A O no hydrogen 3.214 N/A THR 335.A OG1 GLN 332.A O no hydrogen 2.507 N/A