Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1raj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N ASP 2.A OD1 no hydrogen 2.789 N/A LYS 6.A N ASP 2.A O no hydrogen 3.082 N/A GLU 7.A N GLU 3.A O no hydrogen 3.033 N/A ALA 8.A N TYR 4.A O no hydrogen 2.962 N/A VAL 9.A N MET 5.A O no hydrogen 2.759 N/A ASP 10.A N LYS 6.A O no hydrogen 2.941 N/A HIS 11.A N GLU 7.A O no hydrogen 2.929 N/A HIS 11.A NE2 ASP 115.A OD1 no hydrogen 2.958 N/A TYR 12.A N ALA 8.A O no hydrogen 2.760 N/A TYR 12.A OH THR 39.A O no hydrogen 2.611 N/A ALA 13.A N VAL 9.A O no hydrogen 2.789 N/A GLY 14.A N ASP 10.A O no hydrogen 2.879 N/A GLN 15.A N HIS 11.A O no hydrogen 3.189 N/A GLN 15.A N TYR 12.A O no hydrogen 3.093 N/A LEU 16.A N TYR 12.A O no hydrogen 2.975 N/A MET 17.A N ALA 13.A O no hydrogen 2.838 N/A SER 18.A OG GLN 15.A O no hydrogen 2.804 N/A LEU 19.A N LEU 16.A O no hydrogen 3.224 N/A ASP 20.A N MET 17.A O no hydrogen 2.717 N/A ALA 30.A N ASN 26.A O no hydrogen 3.222 N/A PHE 31.A N LEU 27.A O no hydrogen 3.044 N/A HIS 32.A N TYR 28.A O no hydrogen 2.955 N/A HIS 32.A ND1 TYR 28.A O no hydrogen 2.546 N/A LYS 33.A N ALA 29.A O no hydrogen 2.980 N/A ASN 34.A N ALA 30.A O no hydrogen 2.939 N/A ASN 34.A N PHE 31.A O no hydrogen 3.066 N/A ASN 34.A ND2 ALA 30.A O no hydrogen 2.934 N/A GLY 36.A N SER 41.A O no hydrogen 2.877 N/A THR 39.A OG1 ASN 34.A O no hydrogen 2.906 N/A THR 39.A OG1 GLY 36.A O no hydrogen 3.455 N/A THR 39.A OG1 SER 41.A O no hydrogen 3.420 N/A GLY 40.A N GLY 36.A O no hydrogen 2.751 N/A SER 41.A N THR 39.A OG1 no hydrogen 3.009 N/A ALA 42.A N ALA 121.A O no hydrogen 2.974 N/A VAL 43.A N SER 41.A OG no hydrogen 3.002 N/A CYS 45.A N ALA 42.A O no hydrogen 2.841 N/A LEU 49.A N ASP 46.A O no hydrogen 2.818 N/A PHE 50.A N ASP 46.A O no hydrogen 2.781 N/A TRP 51.A N PRO 47.A O no hydrogen 2.987 N/A TRP 51.A NE1 PHE 173.A O no hydrogen 3.000 N/A SER 52.A N LEU 49.A O no hydrogen 3.209 N/A LYS 53.A N PHE 50.A O no hydrogen 2.999 N/A ILE 54.A N PHE 50.A O no hydrogen 3.101 N/A VAL 56.A N LYS 53.A O no hydrogen 2.967 N/A LEU 57.A N ILE 54.A O no hydrogen 2.932 N/A MET 58.A N ILE 54.A O no hydrogen 3.141 N/A GLU 59.A N SER 129.A OG no hydrogen 2.639 N/A LYS 61.A N TYR 130.A O no hydrogen 2.906 N/A LYS 61.A NZ GLU 60.A OE2 no hydrogen 3.469 N/A PHE 63.A N ALA 128.A O no hydrogen 3.047 N/A ASP 66.A N THR 151.A O no hydrogen 2.626 N/A TYR 67.A OH ASN 97.A OD1 no hydrogen 2.659 N/A THR 68.A N THR 149.A O no hydrogen 3.006 N/A TYR 70.A OH ASN 93.A O no hydrogen 2.924 N/A SER 73.A N GLY 69.A O no hydrogen 2.998 N/A SER 73.A OG GLY 69.A O no hydrogen 2.649 N/A SER 73.A OG TYR 70.A O no hydrogen 3.263 N/A LEU 74.A N ASP 71.A O no hydrogen 3.146 N/A ALA 77.A N SER 75.A OG no hydrogen 3.189 N/A TRP 78.A N SER 75.A O no hydrogen 3.212 N/A GLU 80.A N PRO 76.A O no hydrogen 2.900 N/A ALA 81.A N ALA 77.A O no hydrogen 2.859 N/A LEU 82.A N TRP 78.A O no hydrogen 2.609 N/A LYS 83.A N PHE 79.A O no hydrogen 2.812 N/A MET 84.A N GLU 80.A O no hydrogen 3.130 N/A VAL 85.A N ALA 81.A O no hydrogen 3.067 N/A LEU 86.A N LEU 82.A O no hydrogen 3.026 N/A GLU 87.A N LYS 83.A O no hydrogen 2.651 N/A LYS 88.A N MET 84.A O no hydrogen 2.876 N/A LYS 88.A NZ ASP 10.A OD1 no hydrogen 2.923 N/A PHE 92.A N THR 89.A O no hydrogen 2.974 N/A ASN 93.A N THR 89.A O no hydrogen 2.780 N/A ASN 93.A ND2 ASP 71.A OD2 no hydrogen 3.115 N/A SER 94.A N SER 90.A O no hydrogen 2.872 N/A SER 94.A OG SER 90.A O no hydrogen 2.809 N/A SER 94.A OG ALA 121.A O no hydrogen 3.342 N/A MET 95.A N ILE 91.A O no hydrogen 3.171 N/A ILE 96.A N PHE 92.A O no hydrogen 2.792 N/A ASN 97.A N ASN 93.A O no hydrogen 2.799 N/A ASN 97.A ND2 GLY 123.A O no hydrogen 2.805 N/A ASN 98.A N SER 94.A O no hydrogen 2.992 N/A ASN 98.A ND2 GLY 40.A O no hydrogen 2.829 N/A ASN 98.A ND2 SER 94.A O no hydrogen 2.866 N/A LEU 99.A N MET 95.A O no hydrogen 3.153 N/A LEU 99.A N ILE 96.A O no hydrogen 2.862 N/A ILE 100.A N ILE 96.A O no hydrogen 2.814 N/A ILE 101.A N ASN 97.A O no hydrogen 2.965 N/A ARG 102.A NE HIS 11.A ND1 no hydrogen 2.868 N/A ARG 102.A NH1 ASN 98.A O no hydrogen 2.697 N/A ARG 102.A NH1 ASN 98.A OD1 no hydrogen 3.098 N/A THR 103.A N LEU 99.A O no hydrogen 2.932 N/A THR 103.A OG1 LEU 99.A O no hydrogen 2.871 N/A LEU 104.A N ILE 100.A O no hydrogen 2.745 N/A LEU 105.A N ILE 101.A O no hydrogen 2.882 N/A LEU 106.A N ARG 102.A O no hydrogen 2.970 N/A LYS 107.A N THR 103.A O no hydrogen 3.043 N/A LYS 107.A N LEU 104.A O no hydrogen 3.203 N/A LYS 107.A NZ TYR 146.A OH no hydrogen 3.111 N/A THR 108.A N LEU 104.A O no hydrogen 2.852 N/A THR 108.A N LEU 105.A O no hydrogen 3.226 N/A THR 108.A OG1 LEU 104.A O no hydrogen 2.817 N/A THR 108.A OG1 SER 142.A OG no hydrogen 2.853 N/A TYR 109.A N LEU 105.A O no hydrogen 3.082 N/A ASP 113.A N TYR 130.A OH no hydrogen 3.005 N/A ASP 115.A N ASP 113.A OD1 no hydrogen 3.054 N/A HIS 116.A N ASP 113.A O no hydrogen 2.876 N/A LEU 117.A N LEU 114.A O no hydrogen 3.034 N/A LYS 118.A N SER 129.A O no hydrogen 3.244 N/A LYS 118.A NZ ASP 115.A O no hydrogen 3.114 N/A ILE 120.A N ILE 127.A O no hydrogen 2.923 N/A ALA 121.A N GLY 40.A O no hydrogen 2.765 N/A TYR 122.A N ASP 125.A O no hydrogen 2.905 N/A GLY 123.A N SER 94.A OG no hydrogen 2.721 N/A ASP 125.A N TYR 122.A O no hydrogen 3.226 N/A ILE 127.A N ILE 120.A O no hydrogen 3.012 N/A SER 129.A OG LYS 118.A O no hydrogen 2.893 N/A TYR 130.A N LYS 61.A O no hydrogen 2.946 N/A ASP 135.A N TYR 109.A OH no hydrogen 2.836 N/A LEU 138.A N ASP 135.A O no hydrogen 2.969 N/A LEU 139.A N ASP 135.A O no hydrogen 2.942 N/A ALA 140.A N ALA 136.A O no hydrogen 2.685 N/A SER 142.A N LEU 138.A O no hydrogen 3.351 N/A SER 142.A OG THR 108.A OG1 no hydrogen 2.853 N/A GLY 143.A N LEU 139.A O no hydrogen 3.005 N/A LYS 144.A N GLN 141.A O no hydrogen 2.989 N/A LYS 144.A NZ GLN 141.A OE1 no hydrogen 3.548 N/A ASP 145.A N SER 142.A O no hydrogen 3.271 N/A TYR 146.A N GLY 143.A O no hydrogen 2.923 N/A TYR 146.A OH ASP 2.A OD2 no hydrogen 2.460 N/A GLY 147.A N LYS 144.A O no hydrogen 2.970 N/A LEU 148.A N GLY 143.A O no hydrogen 2.940 N/A THR 151.A N ASP 66.A O no hydrogen 2.891 N/A ASP 154.A N ASP 66.A OD1 no hydrogen 2.816 N/A LYS 155.A N ASP 66.A OD2 no hydrogen 2.721 N/A SER 156.A OG THR 158.A O no hydrogen 2.882 N/A THR 158.A OG1 GLU 160.A OE2 no hydrogen 2.578 N/A THR 161.A OG1 GLU 133.A OE2 no hydrogen 2.897 N/A THR 163.A N ASN 166.A OD1 no hydrogen 2.663 N/A GLU 165.A N THR 163.A OG1 no hydrogen 3.267 N/A ASN 166.A N THR 163.A O no hydrogen 3.223 N/A ASN 166.A N THR 163.A OG1 no hydrogen 3.298 N/A ASN 166.A ND2 THR 161.A O no hydrogen 2.971 N/A VAL 167.A N THR 163.A O no hydrogen 2.891 N/A THR 168.A OG1 ASP 154.A OD1 no hydrogen 2.860 N/A THR 168.A OG1 ASP 154.A OD2 no hydrogen 2.999 N/A PHE 169.A N ARG 172.A O no hydrogen 2.913 N/A LEU 170.A N ASP 125.A OD2 no hydrogen 2.787 N/A LYS 171.A NZ GLU 192.A OE1 no hydrogen 3.337 N/A ARG 172.A N PHE 169.A O no hydrogen 2.673 N/A ARG 172.A NH1 LEU 170.A O no hydrogen 2.990 N/A PHE 173.A N VAL 187.A O no hydrogen 2.822 N/A ARG 175.A N HIS 185.A O no hydrogen 3.262 N/A ARG 175.A NH1 GLU 165.A O no hydrogen 3.329 N/A ARG 175.A NH1 PHE 174.A O no hydrogen 2.632 N/A ARG 175.A NH2 GLU 165.A O no hydrogen 2.913 N/A ASP 177.A N LEU 183.A O no hydrogen 2.887 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.852 N/A LYS 179.A N ASP 177.A OD1 no hydrogen 2.777 N/A TYR 180.A N ASP 177.A OD1 no hydrogen 2.814 N/A LEU 183.A N TYR 180.A O no hydrogen 3.120 N/A ILE 184.A N SER 52.A OG no hydrogen 2.686 N/A HIS 185.A N ARG 175.A O no hydrogen 2.711 N/A HIS 185.A ND1 HIS 219.A ND1 no hydrogen 2.833 N/A HIS 185.A NE2 ASP 177.A OD2 no hydrogen 2.634 N/A VAL 187.A N PHE 173.A O no hydrogen 2.907 N/A HIS 194.A N MET 190.A O no hydrogen 2.878 N/A GLU 195.A N LYS 191.A O no hydrogen 3.104 N/A SER 196.A N ILE 193.A O no hydrogen 2.986 N/A SER 196.A OG GLU 192.A O no hydrogen 2.872 N/A ILE 197.A N HIS 194.A O no hydrogen 3.346 N/A ARG 198.A NH1 ILE 197.A O no hydrogen 3.331 N/A ARG 204.A N ASP 202.A OD1 no hydrogen 2.966 N/A ASN 205.A N ASP 202.A O no hydrogen 3.032 N/A ASN 205.A ND2 ASP 202.A O no hydrogen 3.669 N/A THR 206.A N PRO 203.A O no hydrogen 3.123 N/A THR 206.A OG1 PRO 203.A O no hydrogen 3.121 N/A GLN 207.A NE2 ALA 242.A O no hydrogen 3.066 N/A HIS 209.A N ASN 205.A O no hydrogen 2.961 N/A HIS 209.A NE2 SER 196.A O no hydrogen 2.819 N/A VAL 210.A N THR 206.A O no hydrogen 2.894 N/A ARG 211.A N GLN 207.A O no hydrogen 2.883 N/A SER 212.A N ASP 208.A O no hydrogen 3.066 N/A SER 212.A OG HIS 209.A O no hydrogen 2.598 N/A LEU 213.A N HIS 209.A O no hydrogen 3.161 N/A CYS 214.A N VAL 210.A O no hydrogen 2.874 N/A CYS 214.A SG VAL 210.A O no hydrogen 3.276 N/A CYS 214.A SG TYR 225.A OH no hydrogen 3.594 N/A LEU 215.A N ARG 211.A O no hydrogen 2.984 N/A LEU 216.A N LEU 213.A O no hydrogen 3.106 N/A ALA 217.A N LEU 213.A O no hydrogen 2.822 N/A TRP 218.A N CYS 214.A O no hydrogen 3.146 N/A HIS 219.A ND1 HIS 185.A ND1 no hydrogen 2.833 N/A HIS 219.A NE2 ASP 48.A OD1 no hydrogen 2.700 N/A ASN 220.A N ALA 217.A O no hydrogen 2.872 N/A ASN 220.A ND2 MET 188.A O no hydrogen 2.789 N/A ASN 220.A ND2 ALA 217.A O no hydrogen 3.416 N/A GLY 221.A N TRP 218.A O no hydrogen 3.149 N/A TYR 225.A N GLY 221.A O no hydrogen 2.878 N/A TYR 225.A OH PRO 244.A O no hydrogen 2.543 N/A ASN 226.A N GLU 222.A O no hydrogen 3.037 N/A LYS 227.A N GLU 223.A O no hydrogen 3.085 N/A PHE 228.A N GLU 224.A O no hydrogen 2.919 N/A LEU 229.A N TYR 225.A O no hydrogen 2.879 N/A ALA 230.A N ASN 226.A O no hydrogen 2.928 N/A LYS 231.A N LYS 227.A O no hydrogen 3.163 N/A LYS 231.A NZ HIS 194.A ND1 no hydrogen 2.921 N/A ILE 232.A N PHE 228.A O no hydrogen 3.224 N/A ARG 233.A N LEU 229.A O no hydrogen 3.022 N/A SER 234.A N LYS 231.A O no hydrogen 2.926 N/A SER 234.A OG LYS 231.A O no hydrogen 2.454 N/A ARG 239.A N VAL 235.A O no hydrogen 3.119 N/A ARG 239.A NH1 ARG 233.A O no hydrogen 2.762 N/A LEU 241.A N GLY 238.A O no hydrogen 3.331 N/A ALA 242.A N GLN 207.A OE1 no hydrogen 2.864 N/A THR 248.A N GLU 245.A O no hydrogen 3.135 N/A THR 248.A OG1 GLU 245.A O no hydrogen 2.996 N/A LEU 249.A N GLU 245.A O no hydrogen 3.327 N/A TYR 250.A N TYR 246.A O no hydrogen 3.040 N/A TYR 250.A OH ASP 177.A OD1 no hydrogen 2.771 N/A TYR 250.A OH ASP 177.A OD2 no hydrogen 2.592 N/A ASP 251.A N SER 247.A O no hydrogen 3.095 N/A ARG 252.A N THR 248.A O no hydrogen 2.919 N/A TRP 253.A N LEU 249.A O no hydrogen 3.065 N/A TRP 253.A NE1 ASP 48.A O no hydrogen 2.909 N/A LEU 254.A N TYR 250.A O no hydrogen 2.941 N/A ASP 255.A N ASP 251.A O no hydrogen 3.074 N/A SER 256.A N TRP 253.A O no hydrogen 3.115 N/A SER 256.A OG TRP 253.A O no hydrogen 2.608 N/A