Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1i44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N PRO 1.A O no hydrogen 2.489 N/A GLU 5.A N PRO 1.A O no hydrogen 2.956 N/A GLU 5.A N ASP 2.A O no hydrogen 3.106 N/A VAL 6.A N VAL 80.A O no hydrogen 2.801 N/A ARG 8.A NH1 PRO 86.A O no hydrogen 2.706 N/A ARG 8.A NH2 LYS 83.A O no hydrogen 2.717 N/A ARG 8.A NH2 PRO 86.A O no hydrogen 3.467 N/A LYS 10.A N SER 7.A O no hydrogen 3.126 N/A ILE 11.A N ARG 8.A O no hydrogen 3.034 N/A THR 12.A N ASN 29.A O no hydrogen 2.857 N/A LEU 14.A N GLU 27.A O no hydrogen 2.762 N/A ARG 15.A N GLU 27.A O no hydrogen 3.453 N/A ARG 15.A NH1 GLU 27.A OE1 no hydrogen 3.054 N/A LEU 17.A N VAL 25.A O no hydrogen 2.753 N/A GLY 18.A N VAL 25.A O no hydrogen 3.227 N/A GLY 20.A N GLY 23.A O no hydrogen 2.658 N/A VAL 25.A N GLY 18.A O no hydrogen 2.705 N/A TYR 26.A N VAL 44.A O no hydrogen 2.809 N/A GLU 27.A N ARG 15.A O no hydrogen 2.847 N/A GLY 28.A N VAL 42.A O no hydrogen 2.677 N/A ASN 29.A N THR 12.A O no hydrogen 2.729 N/A ALA 30.A N THR 40.A O no hydrogen 2.859 N/A ARG 31.A N LYS 10.A O no hydrogen 2.987 N/A ASP 32.A N ALA 38.A O no hydrogen 2.722 N/A GLU 37.A N ILE 34.A O no hydrogen 3.076 N/A THR 40.A N ALA 30.A O no hydrogen 2.874 N/A THR 40.A OG1 GLU 37.A OE2 no hydrogen 2.646 N/A ARG 41.A NH2 GLU 27.A OE2 no hydrogen 3.176 N/A VAL 42.A N GLY 28.A O no hydrogen 2.819 N/A ALA 43.A N MET 91.A O no hydrogen 2.995 N/A VAL 44.A N TYR 26.A O no hydrogen 2.619 N/A LYS 45.A N VAL 89.A O no hydrogen 2.878 N/A THR 46.A N MET 24.A O no hydrogen 3.219 N/A THR 46.A OG1 MET 24.A O no hydrogen 2.840 N/A ASN 48.A N PHE 22.A O no hydrogen 2.741 N/A SER 50.A N ASN 48.A OD1 no hydrogen 2.664 N/A SER 50.A OG ASN 48.A OD1 no hydrogen 3.108 N/A ALA 51.A N ASN 48.A O no hydrogen 3.059 N/A SER 52.A N GLU 55.A OE1 no hydrogen 3.053 N/A ARG 54.A NH1 GLU 58.A OE2 no hydrogen 3.354 N/A GLU 55.A N SER 52.A OG no hydrogen 3.400 N/A ARG 56.A N SER 52.A O no hydrogen 3.038 N/A ILE 57.A N LEU 53.A O no hydrogen 3.013 N/A GLU 58.A N ARG 54.A O no hydrogen 2.876 N/A PHE 59.A N GLU 55.A O no hydrogen 2.796 N/A LEU 60.A N ARG 56.A O no hydrogen 3.419 N/A ASN 61.A N ILE 57.A O no hydrogen 2.943 N/A GLU 62.A N GLU 58.A O no hydrogen 2.976 N/A ALA 63.A N PHE 59.A O no hydrogen 3.457 N/A SER 64.A N LEU 60.A O no hydrogen 2.977 N/A VAL 65.A N ASN 61.A O no hydrogen 3.097 N/A VAL 65.A N GLU 62.A O no hydrogen 3.109 N/A MET 66.A N GLU 62.A O no hydrogen 3.309 N/A LYS 67.A N ALA 63.A O no hydrogen 3.209 N/A LYS 67.A N SER 64.A O no hydrogen 3.272 N/A GLY 68.A N VAL 65.A O no hydrogen 3.043 N/A PHE 69.A N MET 66.A O no hydrogen 2.885 N/A THR 70.A N TYR 137.A OH no hydrogen 2.932 N/A HIS 73.A ND1 ASP 133.A OD1 no hydrogen 2.474 N/A VAL 74.A N CYS 71.A O no hydrogen 3.296 N/A VAL 75.A N ILE 163.A O no hydrogen 2.949 N/A ARG 76.A N GLU 92.A OE2 no hydrogen 2.995 N/A LEU 78.A N VAL 90.A O no hydrogen 2.702 N/A GLY 79.A N VAL 90.A O no hydrogen 3.200 N/A VAL 80.A N TRP 4.A O no hydrogen 3.188 N/A VAL 81.A N LEU 88.A O no hydrogen 2.858 N/A SER 82.A N GLU 5.A OE2 no hydrogen 3.006 N/A SER 82.A OG GLU 5.A OE1 no hydrogen 2.617 N/A LEU 88.A N VAL 81.A O no hydrogen 3.087 N/A VAL 89.A N LYS 45.A O no hydrogen 3.118 N/A VAL 90.A N GLY 79.A O no hydrogen 2.867 N/A MET 91.A N ALA 43.A O no hydrogen 2.898 N/A GLU 92.A N ARG 76.A O no hydrogen 3.026 N/A HIS 96.A N VAL 155.A O no hydrogen 2.885 N/A GLY 97.A N MET 94.A O no hydrogen 2.905 N/A LEU 99.A N CYS 153.A O no hydrogen 2.624 N/A LYS 100.A N ALA 150.A O no hydrogen 3.374 N/A SER 101.A N ASP 98.A OD2 no hydrogen 2.696 N/A SER 101.A OG ASP 98.A OD1 no hydrogen 2.595 N/A SER 101.A OG ASP 98.A OD2 no hydrogen 3.075 N/A TYR 102.A N ASP 98.A O no hydrogen 3.101 N/A LEU 103.A N LEU 99.A O no hydrogen 2.775 N/A ARG 104.A N LYS 100.A O no hydrogen 2.974 N/A SER 105.A N SER 101.A O no hydrogen 3.181 N/A SER 105.A N TYR 102.A O no hydrogen 3.192 N/A SER 105.A OG TYR 102.A O no hydrogen 2.695 N/A LEU 106.A N LEU 103.A O no hydrogen 3.118 N/A ARG 107.A N ARG 104.A O no hydrogen 3.461 N/A ALA 110.A N ARG 107.A O no hydrogen 2.596 N/A ASN 113.A N ALA 110.A O no hydrogen 3.141 N/A THR 120.A N GLU 123.A OE1 no hydrogen 2.914 N/A GLU 123.A N THR 120.A OG1 no hydrogen 2.841 N/A MET 124.A N THR 120.A O no hydrogen 2.865 N/A ILE 125.A N LEU 121.A O no hydrogen 3.012 N/A GLN 126.A N GLN 122.A O no hydrogen 3.071 N/A GLN 126.A NE2 GLU 130.A OE2 no hydrogen 2.875 N/A MET 127.A N GLU 123.A O no hydrogen 2.937 N/A ALA 128.A N MET 124.A O no hydrogen 2.899 N/A ALA 129.A N ILE 125.A O no hydrogen 2.926 N/A GLU 130.A N GLN 126.A O no hydrogen 3.008 N/A ILE 131.A N MET 127.A O no hydrogen 2.923 N/A ALA 132.A N ALA 128.A O no hydrogen 2.785 N/A ASP 133.A N ALA 129.A O no hydrogen 2.754 N/A GLY 134.A N GLU 130.A O no hydrogen 3.014 N/A MET 135.A N ILE 131.A O no hydrogen 3.042 N/A ALA 136.A N ALA 132.A O no hydrogen 2.864 N/A TYR 137.A N ASP 133.A O no hydrogen 3.054 N/A LEU 138.A N GLY 134.A O no hydrogen 3.058 N/A ASN 139.A N MET 135.A O no hydrogen 2.856 N/A ALA 140.A N ALA 136.A O no hydrogen 2.889 N/A LYS 141.A N TYR 137.A O no hydrogen 3.005 N/A LYS 142.A N ASN 139.A O no hydrogen 2.858 N/A PHE 143.A N LEU 138.A O no hydrogen 2.907 N/A HIS 145.A N ASP 190.A OD1 no hydrogen 2.717 N/A ARG 146.A N ASP 190.A OD2 no hydrogen 2.961 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 2.967 N/A ALA 150.A N GLU 200.A OE1 no hydrogen 2.912 N/A ASN 152.A N ALA 149.A O no hydrogen 2.902 N/A ASN 152.A ND2 ASP 147.A O no hydrogen 2.738 N/A CYS 153.A N ALA 150.A O no hydrogen 2.970 N/A CYS 153.A SG ALA 149.A O no hydrogen 3.565 N/A MET 154.A N LYS 162.A O no hydrogen 2.798 N/A VAL 155.A N GLY 97.A O no hydrogen 2.845 N/A ALA 156.A N THR 160.A O no hydrogen 2.907 N/A PHE 159.A N ALA 156.A O no hydrogen 2.893 N/A THR 160.A N ASP 158.A OD1 no hydrogen 3.044 N/A THR 160.A OG1 ASP 158.A OD1 no hydrogen 2.549 N/A THR 160.A OG1 ASP 158.A OD2 no hydrogen 2.921 N/A VAL 161.A N GLU 130.A OE1 no hydrogen 2.826 N/A LYS 162.A N MET 154.A O no hydrogen 2.858 N/A LYS 162.A NZ GLU 92.A OE1 no hydrogen 2.844 N/A LYS 162.A NZ GLU 92.A OE2 no hydrogen 3.161 N/A ILE 163.A N HIS 73.A O no hydrogen 2.926 N/A GLY 164.A N ASN 152.A O no hydrogen 3.003 N/A GLY 167.A N ASP 165.A OD1 no hydrogen 3.175 N/A MET 168.A N HIS 145.A O no hydrogen 3.023 N/A THR 169.A OG1 GLU 62.A OE2 no hydrogen 3.220 N/A VAL 172.A N LEU 170.A O no hydrogen 2.543 N/A ARG 173.A NE ASN 214.A OD1 no hydrogen 2.998 N/A ARG 173.A NH1 PRO 208.A O no hydrogen 2.909 N/A ARG 173.A NH1 TYR 209.A O no hydrogen 3.228 N/A ARG 173.A NH1 LEU 212.A O no hydrogen 3.427 N/A ARG 173.A NH2 LEU 212.A O no hydrogen 2.904 N/A ARG 173.A NH2 ASN 214.A OD1 no hydrogen 2.926 N/A TRP 174.A N PRO 171.A O no hydrogen 2.719 N/A TRP 174.A NE1 GLU 200.A OE1 no hydrogen 2.920 N/A MET 175.A N VAL 172.A O no hydrogen 3.212 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.835 N/A SER 179.A N ALA 176.A O no hydrogen 2.936 N/A SER 179.A OG VAL 184.A O no hydrogen 2.698 N/A LEU 180.A N ALA 176.A O no hydrogen 2.946 N/A LYS 181.A N PRO 177.A O no hydrogen 2.752 N/A ASP 182.A N GLU 178.A O no hydrogen 2.812 N/A THR 186.A N SER 189.A OG no hydrogen 2.607 N/A SER 189.A N THR 186.A OG1 no hydrogen 3.096 N/A SER 189.A OG THR 186.A O no hydrogen 2.632 N/A ASP 190.A N THR 186.A O no hydrogen 3.114 N/A MET 191.A N THR 187.A O no hydrogen 2.996 N/A MET 191.A N SER 188.A O no hydrogen 3.082 N/A TRP 192.A N SER 188.A O no hydrogen 3.214 N/A SER 193.A N SER 189.A O no hydrogen 3.264 N/A SER 193.A OG TRP 174.A O no hydrogen 2.757 N/A SER 193.A OG SER 189.A O no hydrogen 3.246 N/A PHE 194.A N ASP 190.A O no hydrogen 2.894 N/A GLY 195.A N MET 191.A O no hydrogen 2.969 N/A VAL 196.A N TRP 192.A O no hydrogen 3.229 N/A VAL 197.A N SER 193.A O no hydrogen 2.933 N/A LEU 198.A N PHE 194.A O no hydrogen 3.050 N/A TRP 199.A N GLY 195.A O no hydrogen 2.910 N/A TRP 199.A NE1 ASP 228.A O no hydrogen 2.986 N/A GLU 200.A N VAL 196.A O no hydrogen 2.704 N/A ILE 201.A N VAL 197.A O no hydrogen 2.777 N/A THR 202.A N LEU 198.A O no hydrogen 2.942 N/A THR 202.A OG1 LEU 198.A O no hydrogen 3.225 N/A THR 202.A OG1 TRP 199.A O no hydrogen 2.922 N/A SER 203.A N TRP 199.A O no hydrogen 2.925 N/A SER 203.A N GLU 200.A O no hydrogen 3.209 N/A SER 203.A OG TRP 199.A O no hydrogen 2.770 N/A SER 203.A OG GLU 200.A O no hydrogen 3.143 N/A ALA 205.A N GLU 200.A O no hydrogen 2.681 N/A GLN 210.A N GLN 207.A O no hydrogen 3.227 N/A LEU 212.A N TYR 209.A O no hydrogen 2.925 N/A SER 213.A N GLN 216.A OE1 no hydrogen 3.086 N/A GLN 216.A N SER 213.A OG no hydrogen 3.132 N/A VAL 217.A N SER 213.A O no hydrogen 2.843 N/A LEU 218.A N ASN 214.A O no hydrogen 3.200 N/A PHE 220.A N GLN 216.A O no hydrogen 2.762 N/A VAL 221.A N VAL 217.A O no hydrogen 2.847 N/A MET 222.A N LEU 218.A O no hydrogen 3.243 N/A ASP 223.A N LYS 219.A O no hydrogen 2.826 N/A ASP 223.A N PHE 220.A O no hydrogen 3.212 N/A GLY 224.A N VAL 221.A O no hydrogen 2.981 N/A GLY 225.A N PHE 220.A O no hydrogen 2.892 N/A CYS 233.A N PRO 230.A O no hydrogen 3.260 N/A CYS 233.A SG GLN 229.A OE1 no hydrogen 3.692 N/A CYS 233.A SG PRO 234.A O no hydrogen 3.800 N/A CYS 233.A SG THR 238.A OG1 no hydrogen 3.564 N/A ARG 236.A NH1 ASP 265.A OD2 no hydrogen 2.833 N/A ARG 236.A NH2 LEU 261.A O no hydrogen 3.340 N/A ARG 236.A NH2 ASP 265.A OD2 no hydrogen 2.809 N/A VAL 237.A N PRO 234.A O no hydrogen 2.954 N/A THR 238.A N PRO 234.A O no hydrogen 3.189 N/A THR 238.A OG1 GLN 229.A OE1 no hydrogen 3.094 N/A ASP 239.A N GLU 235.A O no hydrogen 3.050 N/A LEU 240.A N ARG 236.A O no hydrogen 3.375 N/A MET 241.A N VAL 237.A O no hydrogen 2.980 N/A ARG 242.A N THR 238.A O no hydrogen 2.910 N/A MET 243.A N ASP 239.A O no hydrogen 3.032 N/A CYS 244.A N LEU 240.A O no hydrogen 3.136 N/A CYS 244.A SG MET 191.A O no hydrogen 3.475 N/A CYS 244.A SG LEU 240.A O no hydrogen 3.234 N/A TRP 245.A N MET 241.A O no hydrogen 3.112 N/A TRP 245.A N ARG 242.A O no hydrogen 3.045 N/A GLN 246.A N MET 243.A O no hydrogen 3.440 N/A GLN 246.A NE2 MET 243.A O no hydrogen 3.014 N/A GLN 246.A NE2 MET 251.A O no hydrogen 2.533 N/A LYS 250.A N ASN 248.A OD1 no hydrogen 2.793 N/A MET 251.A N ASN 248.A O no hydrogen 2.834 N/A ARG 252.A N PRO 249.A O no hydrogen 3.169 N/A ARG 252.A NE GLN 246.A O no hydrogen 2.926 N/A ARG 252.A NH1 GLU 178.A OE1 no hydrogen 3.515 N/A ARG 252.A NH1 GLU 178.A OE2 no hydrogen 2.761 N/A ARG 252.A NH1 SER 188.A O no hydrogen 3.192 N/A ARG 252.A NH2 GLU 178.A OE1 no hydrogen 2.816 N/A ARG 252.A NH2 GLN 246.A O no hydrogen 3.273 N/A THR 254.A N GLU 257.A OE1 no hydrogen 3.054 N/A GLU 257.A N THR 254.A OG1 no hydrogen 3.030 N/A ILE 258.A N THR 254.A O no hydrogen 2.945 N/A VAL 259.A N PHE 255.A O no hydrogen 3.016 N/A ASN 260.A N LEU 256.A O no hydrogen 2.983 N/A LEU 261.A N GLU 257.A O no hydrogen 2.993 N/A LEU 262.A N ILE 258.A O no hydrogen 3.298 N/A LEU 262.A N VAL 259.A O no hydrogen 3.053 N/A LYS 263.A NZ ASN 260.A OD1 no hydrogen 2.893 N/A ASP 265.A N LEU 262.A O no hydrogen 3.057 N/A HIS 267.A N GLN 126.A OE1 no hydrogen 2.965 N/A SER 269.A N HIS 267.A ND1 no hydrogen 2.920 N/A SER 269.A OG HIS 267.A ND1 no hydrogen 2.836 N/A PHE 270.A N HIS 267.A O no hydrogen 3.071 N/A GLU 272.A N SER 269.A O no hydrogen 2.931 N/A VAL 273.A N PHE 270.A O no hydrogen 3.018 N/A SER 274.A N PHE 270.A O no hydrogen 2.762 N/A SER 274.A OG PHE 270.A O no hydrogen 3.412 N/A PHE 275.A N ASP 133.A OD1 no hydrogen 2.923 N/A PHE 275.A N ASP 133.A OD2 no hydrogen 3.240 N/A PHE 276.A N ASP 133.A OD2 no hydrogen 2.960 N/A HIS 277.A N SER 274.A OG no hydrogen 2.956 N/A SER 278.A N PHE 275.A O no hydrogen 3.029 N/A SER 278.A OG PHE 275.A O no hydrogen 2.681 N/A GLU 280.A N SER 278.A OG no hydrogen 3.260 N/A ASN 281.A N SER 278.A O no hydrogen 3.308 N/A ASN 281.A ND2 PHE 276.A O no hydrogen 2.973 N/A