Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1iaw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N ASP 5.A OD2 no hydrogen 2.752 N/A ASP 5.A N GLU 1.A O no hydrogen 2.579 N/A LEU 6.A N PRO 2.A O no hydrogen 2.880 N/A GLU 7.A N ASP 3.A O no hydrogen 3.182 N/A ARG 8.A N ASP 4.A O no hydrogen 2.891 N/A ARG 8.A NH2 ASP 5.A OD1 no hydrogen 2.770 N/A VAL 9.A N ASP 5.A O no hydrogen 3.009 N/A ARG 10.A N LEU 6.A O no hydrogen 2.892 N/A ARG 10.A NH1 GLU 7.A OE1 no hydrogen 2.509 N/A ALA 11.A N GLU 7.A O no hydrogen 2.790 N/A THR 12.A N ARG 8.A O no hydrogen 3.359 N/A THR 12.A OG1 ARG 8.A O no hydrogen 3.285 N/A LEU 13.A N VAL 9.A O no hydrogen 2.875 N/A TYR 14.A N ARG 10.A O no hydrogen 2.793 N/A SER 15.A N THR 12.A O no hydrogen 3.000 N/A LEU 16.A N THR 12.A O no hydrogen 3.141 N/A ASP 17.A N LEU 13.A O no hydrogen 2.993 N/A GLY 20.A N ASP 17.A O no hydrogen 3.112 N/A GLY 20.A N ASP 17.A OD1 no hydrogen 3.188 N/A ARG 22.A N ASP 17.A OD1 no hydrogen 2.935 N/A ARG 22.A NE GLU 67.A OE1 no hydrogen 2.577 N/A ARG 22.A NH1 LEU 16.A O no hydrogen 3.245 N/A ARG 22.A NH2 GLU 67.A OE1 no hydrogen 2.988 N/A THR 23.A N ASP 17.A OD2 no hydrogen 2.653 N/A THR 23.A OG1 ASP 17.A OD2 no hydrogen 2.864 N/A ALA 24.A N GLY 20.A O no hydrogen 2.696 N/A GLY 25.A N ASP 21.A O no hydrogen 2.855 N/A VAL 26.A N ARG 22.A O no hydrogen 2.839 N/A VAL 26.A N THR 23.A O no hydrogen 2.861 N/A LEU 27.A N THR 23.A O no hydrogen 3.046 N/A ARG 28.A N ALA 24.A O no hydrogen 3.035 N/A ARG 28.A NE ARG 28.A O no hydrogen 2.889 N/A ARG 28.A NE ASP 32.A OD1 no hydrogen 2.874 N/A ARG 28.A NH1 ASP 114.A OD1 no hydrogen 2.857 N/A ARG 28.A NH1 GLN 161.A O no hydrogen 3.163 N/A ARG 28.A NH2 ASP 32.A OD2 no hydrogen 2.444 N/A ARG 28.A NH2 ASP 114.A OD2 no hydrogen 3.085 N/A ASP 29.A N GLY 25.A O no hydrogen 3.069 N/A THR 30.A N VAL 26.A O no hydrogen 2.790 N/A THR 30.A OG1 VAL 26.A O no hydrogen 2.873 N/A LEU 31.A N LEU 27.A O no hydrogen 2.988 N/A ASP 32.A N ARG 28.A O no hydrogen 3.213 N/A GLN 33.A N ASP 29.A O no hydrogen 2.717 N/A LEU 34.A N THR 30.A O no hydrogen 2.736 N/A TYR 35.A N LEU 31.A O no hydrogen 2.709 N/A TYR 35.A OH ASP 114.A OD2 no hydrogen 2.467 N/A ASP 36.A N ASP 32.A O no hydrogen 3.151 N/A ARG 39.A N ASP 36.A O no hydrogen 2.961 N/A ARG 39.A NH1 ASP 36.A OD1 no hydrogen 2.695 N/A THR 40.A N ASP 36.A O no hydrogen 3.049 N/A THR 40.A OG1 TYR 35.A O no hydrogen 2.734 N/A THR 40.A OG1 ASP 36.A O no hydrogen 3.253 N/A GLY 41.A N GLY 37.A O no hydrogen 3.081 N/A ARG 42.A N THR 40.A OG1 no hydrogen 3.187 N/A ARG 42.A NE TYR 35.A O no hydrogen 3.332 N/A ARG 42.A NE THR 40.A OG1 no hydrogen 2.956 N/A ARG 42.A NH1 GLU 52.A OE1 no hydrogen 2.672 N/A ARG 42.A NH2 TYR 35.A O no hydrogen 3.257 N/A ARG 42.A NH2 GLU 52.A OE2 no hydrogen 3.557 N/A TRP 43.A N GLN 47.A OE1 no hydrogen 2.562 N/A ASN 44.A N GLN 47.A OE1 no hydrogen 2.919 N/A ASP 46.A N ASN 44.A OD1 no hydrogen 3.072 N/A GLN 47.A N ASN 44.A O no hydrogen 3.131 N/A LEU 48.A N PHE 45.A O no hydrogen 3.208 N/A GLU 52.A N HIS 49.A O no hydrogen 3.146 N/A LYS 53.A N HIS 49.A O no hydrogen 3.138 N/A LYS 53.A N LYS 50.A O no hydrogen 3.170 N/A THR 54.A N LYS 50.A O no hydrogen 3.196 N/A HIS 55.A N THR 51.A O no hydrogen 3.267 N/A MET 56.A N LYS 53.A O no hydrogen 2.990 N/A GLY 57.A N THR 54.A O no hydrogen 3.101 N/A LEU 59.A N HIS 55.A O no hydrogen 2.950 N/A VAL 60.A N MET 56.A O no hydrogen 2.960 N/A GLU 61.A N GLY 57.A O no hydrogen 3.039 N/A ILE 62.A N THR 58.A O no hydrogen 2.866 N/A ASN 63.A N LEU 59.A O no hydrogen 2.748 N/A ASN 63.A ND2 THR 30.A OG1 no hydrogen 2.689 N/A ASN 63.A ND2 GLN 33.A OE1 no hydrogen 3.001 N/A LEU 64.A N VAL 60.A O no hydrogen 2.920 N/A HIS 65.A N GLU 61.A O no hydrogen 3.137 N/A ARG 66.A N ILE 62.A O no hydrogen 3.126 N/A GLU 67.A N ASN 63.A O no hydrogen 3.006 N/A PHE 68.A N LEU 64.A O no hydrogen 2.990 N/A PHE 70.A N HIS 65.A O no hydrogen 3.391 N/A GLU 75.A N GLN 84.A OE1 no hydrogen 3.325 N/A THR 76.A OG1 TYR 78.A O no hydrogen 2.702 N/A THR 76.A OG1 VAL 85.A O no hydrogen 3.236 N/A ASP 77.A N ASP 86.A OD2 no hydrogen 2.747 N/A TYR 78.A N VAL 85.A O no hydrogen 2.775 N/A TYR 78.A OH GLU 61.A O no hydrogen 3.053 N/A GLU 79.A N GLY 71.A O no hydrogen 3.184 N/A ILE 80.A N VAL 83.A O no hydrogen 2.674 N/A VAL 83.A N ILE 80.A O no hydrogen 2.777 N/A VAL 85.A N TYR 78.A O no hydrogen 3.130 N/A ASP 86.A N ILE 106.A O no hydrogen 3.053 N/A CYS 87.A N ASP 77.A OD2 no hydrogen 3.015 N/A LYS 88.A N LEU 108.A O no hydrogen 2.949 N/A SER 90.A N ILE 110.A O no hydrogen 3.254 N/A SER 90.A OG SER 92.A O no hydrogen 3.128 N/A SER 92.A N SER 90.A OG no hydrogen 3.068 N/A GLN 93.A NE2 THR 120.A OG1 no hydrogen 3.214 N/A ALA 95.A N SER 92.A O no hydrogen 2.943 N/A TRP 96.A NE1 ILE 110.A O no hydrogen 2.796 N/A LEU 98.A N ARG 140.A O no hydrogen 2.965 N/A GLU 101.A N GLU 101.A OE2 no hydrogen 2.657 N/A SER 102.A N PRO 99.A O no hydrogen 2.897 N/A SER 102.A OG PRO 99.A O no hydrogen 2.837 N/A GLY 104.A N VAL 126.A O no hydrogen 2.783 N/A HIS 105.A N SER 102.A O no hydrogen 2.865 N/A CYS 107.A N VAL 124.A O no hydrogen 2.981 N/A LEU 108.A N ASP 86.A O no hydrogen 2.773 N/A VAL 109.A N GLY 122.A O no hydrogen 2.863 N/A ILE 110.A N LYS 88.A O no hydrogen 2.919 N/A TRP 111.A N THR 120.A O no hydrogen 3.057 N/A TRP 111.A NE1 MET 91.A O no hydrogen 2.741 N/A SER 113.A N ALA 118.A O no hydrogen 2.975 N/A CYS 117.A N ASP 114.A O no hydrogen 2.987 N/A CYS 117.A SG ASP 114.A O no hydrogen 3.780 N/A CYS 117.A SG HIS 167.A NE2 no hydrogen 2.931 N/A ALA 118.A N SER 113.A O no hydrogen 3.157 N/A THR 120.A N TRP 111.A O no hydrogen 2.866 N/A GLY 122.A N VAL 109.A O no hydrogen 2.853 N/A LEU 123.A N VAL 151.A O no hydrogen 3.092 N/A VAL 124.A N CYS 107.A O no hydrogen 3.025 N/A VAL 126.A N HIS 105.A O no hydrogen 3.204 N/A PHE 130.A N ILE 127.A O no hydrogen 2.697 N/A GLY 132.A N ARG 141.A O no hydrogen 2.775 N/A ASN 135.A N LYS 139.A O no hydrogen 2.613 N/A LEU 138.A N ASN 135.A O no hydrogen 3.084 N/A LYS 139.A NZ ASP 137.A OD2 no hydrogen 2.770 N/A ARG 140.A N LEU 98.A O no hydrogen 2.912 N/A ARG 140.A NH1 GLY 132.A O no hydrogen 3.395 N/A ARG 141.A NE ALA 95.A O no hydrogen 2.803 N/A THR 143.A N PHE 130.A O no hydrogen 2.890 N/A THR 143.A OG1 PHE 130.A O no hydrogen 3.482 N/A GLY 146.A N THR 143.A OG1 no hydrogen 3.160 N/A ARG 147.A N THR 143.A O no hydrogen 2.973 N/A ARG 147.A N PRO 144.A O no hydrogen 3.213 N/A ALA 148.A N GLU 145.A O no hydrogen 3.104 N/A GLN 149.A N GLY 146.A O no hydrogen 3.399 N/A GLN 149.A NE2 GLU 145.A O no hydrogen 3.376 N/A VAL 150.A N ARG 147.A O no hydrogen 3.373 N/A VAL 151.A N LEU 123.A O no hydrogen 2.805 N/A LEU 153.A N ALA 121.A O no hydrogen 2.732 N/A TRP 154.A N TYR 14.A OH no hydrogen 2.971 N/A HIS 157.A ND1 GLY 158.A O no hydrogen 2.407 N/A HIS 157.A NE2 TRP 119.A O no hydrogen 2.587 N/A LEU 160.A N CYS 117.A O no hydrogen 2.870 N/A ASN 163.A ND2 TRP 43.A O no hydrogen 2.992 N/A ASN 163.A ND2 ASP 114.A OD2 no hydrogen 3.325 N/A LEU 166.A N ASN 163.A OD1 no hydrogen 3.077 N/A HIS 167.A N LEU 164.A O no hydrogen 2.790 N/A ARG 173.A N PRO 169.A O no hydrogen 3.009 N/A ARG 173.A NH1 LEU 165.A O no hydrogen 3.049 N/A ASP 174.A N GLY 170.A O no hydrogen 2.913 N/A GLN 175.A N ASP 171.A O no hydrogen 3.026 N/A GLN 175.A NE2 ASP 171.A O no hydrogen 3.221 N/A ILE 176.A N VAL 172.A O no hydrogen 3.150 N/A PHE 177.A N ARG 173.A O no hydrogen 3.044 N/A SER 178.A N ASP 174.A O no hydrogen 2.961 N/A SER 178.A OG ASP 174.A O no hydrogen 2.910 N/A SER 181.A N HIS 187.A ND1 no hydrogen 3.049 N/A GLN 189.A NE2 GLN 189.A O no hydrogen 3.191 N/A GLN 189.A NE2 ASN 193.A OD1 no hydrogen 2.629 N/A GLN 189.A NE2 ARG 221.A O no hydrogen 3.464 N/A ARG 191.A N HIS 187.A O no hydrogen 3.023 N/A ARG 191.A NE VAL 212.A O no hydrogen 2.867 N/A ARG 191.A NH2 VAL 212.A O no hydrogen 3.086 N/A VAL 192.A N GLY 188.A O no hydrogen 3.116 N/A ASN 193.A N GLN 189.A O no hydrogen 2.924 N/A GLU 194.A N ALA 190.A O no hydrogen 3.146 N/A LEU 195.A N ARG 191.A O no hydrogen 2.956 N/A PHE 196.A N VAL 192.A O no hydrogen 3.029 N/A ARG 197.A N GLU 194.A O no hydrogen 2.773 N/A ARG 197.A NE GLU 235.A OE1 no hydrogen 2.826 N/A ARG 197.A NE GLU 235.A OE2 no hydrogen 3.187 N/A ARG 197.A NH1 GLU 194.A OE2 no hydrogen 3.059 N/A ARG 197.A NH2 GLU 235.A OE2 no hydrogen 2.895 N/A ARG 198.A N GLU 194.A O no hydrogen 2.948 N/A ARG 198.A NE GLN 175.A OE1 no hydrogen 2.852 N/A VAL 199.A N LEU 195.A O no hydrogen 3.150 N/A GLY 201.A N ALA 265.A O no hydrogen 2.894 N/A ARG 202.A NH2 GLU 162.A OE2 no hydrogen 2.804 N/A ILE 204.A N VAL 263.A O no hydrogen 3.041 N/A ILE 209.A N GLY 205.A O no hydrogen 3.153 N/A ALA 210.A N ARG 206.A O no hydrogen 2.879 N/A THR 211.A N ALA 207.A O no hydrogen 2.965 N/A THR 211.A OG1 ALA 207.A O no hydrogen 2.988 N/A VAL 212.A N VAL 208.A O no hydrogen 3.350 N/A ALA 213.A N ILE 209.A O no hydrogen 2.926 N/A GLN 214.A N ALA 210.A O no hydrogen 2.638 N/A GLN 214.A NE2 ARG 39.A O no hydrogen 3.209 N/A GLN 215.A NE2 ALA 213.A O no hydrogen 2.902 N/A LYS 220.A N ASP 217.A O no hydrogen 3.267 N/A ARG 221.A N PHE 218.A O no hydrogen 3.280 N/A ARG 221.A NE GLN 215.A OE1 no hydrogen 3.470 N/A ARG 223.A N LYS 220.A O no hydrogen 2.841 N/A GLY 227.A N SER 225.A O no hydrogen 2.515 N/A ALA 228.A N ARG 221.A O no hydrogen 2.855 N/A ARG 229.A N VAL 222.A O no hydrogen 3.075 N/A ARG 229.A NE ILE 239.A O no hydrogen 2.695 N/A ARG 229.A NH2 ILE 239.A O no hydrogen 2.763 N/A SER 230.A N GLY 227.A O no hydrogen 3.148 N/A SER 230.A OG GLY 224.A O no hydrogen 2.650 N/A SER 230.A OG SER 225.A O no hydrogen 2.810 N/A SER 230.A OG GLY 227.A O no hydrogen 3.492 N/A ILE 231.A N GLY 227.A O no hydrogen 3.188 N/A LEU 232.A N ALA 228.A O no hydrogen 2.963 N/A ARG 233.A N SER 230.A O no hydrogen 2.940 N/A ARG 233.A NE ALA 299.A O no hydrogen 2.697 N/A GLU 235.A N LEU 232.A O no hydrogen 3.221 N/A GLY 236.A N ARG 233.A O no hydrogen 2.754 N/A ILE 237.A N LEU 232.A O no hydrogen 3.436 N/A ILE 238.A N ALA 266.A O no hydrogen 2.908 N/A LEU 240.A N VAL 264.A O no hydrogen 2.784 N/A GLY 241.A N ASP 246.A OD2 no hydrogen 2.790 N/A GLN 243.A NE2 ASP 244.A OD1 no hydrogen 3.212 N/A GLN 243.A NE2 ASP 244.A OD2 no hydrogen 3.496 N/A ASN 245.A ND2 PRO 303.A O no hydrogen 2.616 N/A LYS 248.A NZ ASP 252.A OD1 no hydrogen 2.792 N/A VAL 249.A N ASN 245.A O no hydrogen 2.999 N/A ALA 250.A N ASP 246.A O no hydrogen 2.941 N/A ASN 251.A N PRO 247.A O no hydrogen 3.110 N/A ASP 252.A N LYS 248.A O no hydrogen 2.803 N/A LEU 253.A N VAL 249.A O no hydrogen 3.224 N/A GLY 254.A N ASN 251.A O no hydrogen 2.681 N/A LEU 255.A N ALA 250.A O no hydrogen 2.806 N/A GLN 262.A N ARG 259.A O no hydrogen 2.939 N/A VAL 263.A N ILE 204.A O no hydrogen 3.016 N/A VAL 264.A N LEU 240.A O no hydrogen 2.900 N/A ALA 266.A N ILE 238.A O no hydrogen 3.296 N/A VAL 268.A N GLY 236.A O no hydrogen 2.665 N/A VAL 269.A N ALA 288.A O no hydrogen 3.252 N/A ALA 271.A N ARG 286.A O no hydrogen 3.089 N/A ASP 272.A N ASP 275.A OD2 no hydrogen 3.064 N/A ARG 277.A N ASP 275.A O no hydrogen 2.706 N/A ARG 277.A NE ASP 275.A OD1 no hydrogen 3.008 N/A ARG 277.A NH2 ASP 275.A OD2 no hydrogen 3.271 N/A ALA 280.A N TRP 287.A O no hydrogen 2.922 N/A ILE 282.A N ARG 285.A O no hydrogen 3.382 N/A TRP 287.A N ALA 280.A O no hydrogen 2.869 N/A ALA 288.A N VAL 269.A O no hydrogen 3.228 N/A ALA 290.A N ARG 267.A O no hydrogen 2.906 N/A VAL 291.A N ASP 294.A OD1 no hydrogen 3.265 N/A ASP 294.A N VAL 291.A O no hydrogen 2.984 N/A ALA 299.A N ARG 233.A O no hydrogen 3.172 N/A