Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4naj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ILE 2.A O no hydrogen 3.226 N/A ALA 7.A N ASP 149.A O no hydrogen 2.831 N/A GLY 11.A N ASP 50.A OD1 no hydrogen 2.722 N/A GLU 12.A N ASP 50.A OD1 no hydrogen 2.910 N/A ARG 14.A N THR 51.A O no hydrogen 2.736 N/A ARG 14.A NE ASP 50.A OD2 no hydrogen 2.813 N/A ARG 14.A NH1 ASP 50.A OD2 no hydrogen 3.378 N/A MET 18.A N GLU 55.A O no hydrogen 3.034 N/A TYR 19.A N GLY 31.A O no hydrogen 2.896 N/A ALA 20.A N THR 57.A O no hydrogen 3.190 N/A GLU 21.A N GLY 29.A O no hydrogen 3.024 N/A LYS 22.A NZ ASP 61.A OD1 no hydrogen 3.048 N/A LEU 23.A N GLN 27.A O no hydrogen 2.761 N/A GLY 26.A N LEU 23.A O no hydrogen 2.987 N/A GLN 27.A N ASP 25.A OD1 no hydrogen 3.194 N/A MET 28.A N ASN 136.A O no hydrogen 2.961 N/A GLY 29.A N GLU 21.A O no hydrogen 3.089 N/A TYR 30.A OH SER 65.A O no hydrogen 2.881 N/A GLY 31.A N TYR 19.A O no hydrogen 2.981 N/A GLY 35.A N GLU 21.A OE1 no hydrogen 2.838 N/A LYS 36.A N GLU 33.A O no hydrogen 2.936 N/A SER 38.A N TYR 30.A O no hydrogen 2.787 N/A SER 38.A OG PRO 40.A O no hydrogen 2.843 N/A GLY 41.A N TYR 139.A O no hydrogen 2.813 N/A ILE 44.A N PRO 141.A O no hydrogen 3.044 N/A VAL 46.A N ILE 143.A O no hydrogen 2.921 N/A ASN 47.A N ASP 50.A OD2 no hydrogen 2.879 N/A GLU 48.A N ARG 145.A O no hydrogen 2.940 N/A GLY 49.A N THR 99.A OG1 no hydrogen 2.694 N/A ASP 50.A N ASN 47.A O no hydrogen 2.800 N/A THR 51.A N GLU 12.A O no hydrogen 2.838 N/A LEU 52.A N TRP 97.A O no hydrogen 2.769 N/A HIS 53.A N ARG 14.A O no hydrogen 2.893 N/A HIS 53.A ND1 THR 96.A OG1 no hydrogen 3.073 N/A ILE 54.A N TYR 95.A O no hydrogen 2.775 N/A GLU 55.A N LEU 16.A O no hydrogen 2.702 N/A PHE 56.A N ARG 93.A O no hydrogen 2.776 N/A THR 57.A N MET 18.A O no hydrogen 2.893 N/A THR 57.A OG1 THR 92.A OG1 no hydrogen 2.974 N/A ASN 58.A N GLY 91.A O no hydrogen 2.919 N/A ASN 58.A ND2 VAL 62.A O no hydrogen 2.763 N/A ASN 58.A ND2 VAL 87.A O no hydrogen 3.133 N/A ASN 58.A ND2 GLU 88.A O no hydrogen 3.401 N/A THR 59.A N ALA 20.A O no hydrogen 3.081 N/A THR 59.A OG1 ALA 20.A O no hydrogen 2.881 N/A MET 60.A N ASN 58.A OD1 no hydrogen 2.769 N/A ARG 63.A NE ASP 86.A OD2 no hydrogen 2.600 N/A ARG 63.A NH2 ASP 86.A OD1 no hydrogen 3.012 N/A ARG 63.A NH2 ASP 86.A OD2 no hydrogen 3.481 N/A ALA 64.A N VAL 87.A O no hydrogen 3.122 N/A SER 65.A N ASP 122.A OD1 no hydrogen 2.988 N/A SER 65.A OG GLY 79.A O no hydrogen 2.686 N/A LEU 66.A N TYR 95.A OH no hydrogen 3.360 N/A HIS 67.A N HIS 121.A O no hydrogen 2.813 N/A HIS 67.A ND1 ASP 78.A O no hydrogen 2.973 N/A HIS 69.A N HIS 119.A O no hydrogen 2.996 N/A LEU 71.A N HIS 69.A O no hydrogen 2.757 N/A ASP 72.A N ARG 98.A O no hydrogen 2.840 N/A SER 77.A N GLU 74.A O no hydrogen 2.796 N/A ASP 78.A N ILE 75.A O no hydrogen 3.177 N/A THR 80.A N SER 85.A OG no hydrogen 3.022 N/A THR 80.A OG1 ASP 78.A OD2 no hydrogen 2.332 N/A ASN 83.A N THR 80.A OG1 no hydrogen 3.376 N/A ASN 83.A ND2 ASP 78.A OD2 no hydrogen 2.728 N/A LYS 84.A N ALA 81.A O no hydrogen 2.723 N/A SER 85.A N THR 80.A O no hydrogen 2.942 N/A SER 85.A OG THR 80.A O no hydrogen 3.430 N/A VAL 87.A N ALA 64.A O no hydrogen 2.793 N/A GLU 88.A N GLU 88.A OE2 no hydrogen 2.490 N/A GLY 91.A N GLU 88.A O no hydrogen 2.776 N/A THR 92.A OG1 THR 57.A OG1 no hydrogen 2.974 N/A ARG 93.A N PHE 56.A O no hydrogen 2.792 N/A ARG 93.A NH2 SER 76.A O no hydrogen 3.171 N/A TYR 95.A N ILE 54.A O no hydrogen 2.982 N/A TYR 95.A OH SER 85.A O no hydrogen 2.777 N/A THR 96.A N SER 77.A OG no hydrogen 3.022 N/A THR 96.A OG1 HIS 53.A ND1 no hydrogen 3.073 N/A TRP 97.A N LEU 52.A O no hydrogen 2.839 N/A ARG 98.A N ASP 72.A O no hydrogen 2.688 N/A ARG 98.A NH1 GLU 74.A OE2 no hydrogen 3.387 N/A THR 99.A N ASP 50.A O no hydrogen 3.180 N/A THR 99.A OG1 ASN 47.A O no hydrogen 3.287 N/A THR 99.A OG1 ASP 50.A O no hydrogen 3.001 N/A HIS 100.A N SER 114.A OG no hydrogen 2.732 N/A HIS 100.A ND1 ASP 72.A OD2 no hydrogen 2.619 N/A HIS 100.A NE2 PRO 112.A O no hydrogen 2.699 N/A GLY 103.A N ARG 111.A O no hydrogen 3.160 N/A ARG 104.A NH2 GLY 108.A O no hydrogen 2.981 N/A ARG 105.A N THR 109.A O no hydrogen 2.742 N/A ARG 105.A NH1 THR 109.A OG1 no hydrogen 2.930 N/A GLY 108.A N ARG 105.A O no hydrogen 3.056 N/A THR 109.A N ASP 107.A OD1 no hydrogen 2.844 N/A THR 109.A OG1 ASP 107.A OD1 no hydrogen 2.566 N/A THR 109.A OG1 ASP 107.A OD2 no hydrogen 3.403 N/A ARG 111.A N GLY 103.A O no hydrogen 2.731 N/A SER 114.A N HIS 100.A O no hydrogen 2.948 N/A SER 114.A OG HIS 100.A ND1 no hydrogen 3.061 N/A SER 114.A OG HIS 100.A O no hydrogen 3.357 N/A ALA 115.A N GLU 48.A OE2 no hydrogen 2.876 N/A GLY 116.A N VAL 144.A O no hydrogen 2.960 N/A TYR 117.A OH GLU 185.A OE2 no hydrogen 2.680 N/A TRP 118.A N VAL 142.A O no hydrogen 2.671 N/A TRP 118.A NE1 SER 114.A O no hydrogen 2.930 N/A HIS 119.A NE2 ALA 231.A O no hydrogen 3.005 N/A TYR 120.A N GLY 140.A O no hydrogen 2.830 N/A TYR 120.A OH PRO 42.A O no hydrogen 2.763 N/A HIS 121.A N HIS 67.A O no hydrogen 2.886 N/A HIS 121.A ND1 ASP 122.A O no hydrogen 2.757 N/A ASP 122.A N LEU 138.A O no hydrogen 3.206 N/A HIS 123.A N SER 65.A OG no hydrogen 3.077 N/A HIS 123.A ND1 HIS 123.A O no hydrogen 2.765 N/A HIS 123.A ND1 GLU 128.A O no hydrogen 3.016 N/A VAL 124.A N ASP 122.A OD1 no hydrogen 3.145 N/A VAL 124.A N ASP 122.A OD2 no hydrogen 3.225 N/A VAL 125.A N ASP 122.A OD2 no hydrogen 2.630 N/A THR 127.A OG1 THR 131.A OG1 no hydrogen 2.995 N/A HIS 129.A N THR 127.A OG1 no hydrogen 3.043 N/A GLY 130.A N THR 127.A O no hydrogen 2.991 N/A THR 131.A N THR 127.A OG1 no hydrogen 3.287 N/A THR 131.A OG1 THR 127.A OG1 no hydrogen 2.995 N/A GLY 133.A N VAL 125.A O no hydrogen 3.113 N/A ILE 134.A N GLY 130.A O no hydrogen 2.724 N/A ARG 135.A N THR 131.A O no hydrogen 2.991 N/A ASN 136.A N GLY 132.A O no hydrogen 2.901 N/A GLY 137.A N GLY 133.A O no hydrogen 3.092 N/A GLY 137.A N ILE 134.A O no hydrogen 3.123 N/A LEU 138.A N GLY 133.A O no hydrogen 2.878 N/A TYR 139.A N GLY 137.A O no hydrogen 2.812 N/A TYR 139.A OH ASN 167.A OD1 no hydrogen 2.541 N/A GLY 140.A N TYR 120.A O no hydrogen 2.925 N/A VAL 142.A N TRP 118.A O no hydrogen 2.923 N/A ILE 143.A N ILE 44.A O no hydrogen 2.842 N/A VAL 144.A N GLY 116.A O no hydrogen 2.970 N/A ARG 145.A N VAL 46.A O no hydrogen 2.905 N/A ARG 145.A NE GLU 45.A OE2 no hydrogen 2.794 N/A ARG 145.A NH1 GLU 185.A OE2 no hydrogen 2.685 N/A ARG 145.A NH2 GLU 45.A OE1 no hydrogen 3.107 N/A ARG 145.A NH2 GLU 45.A OE2 no hydrogen 3.434 N/A ARG 145.A NH2 GLU 185.A OE1 no hydrogen 2.829 N/A ARG 145.A NH2 GLU 185.A OE2 no hydrogen 3.507 N/A ARG 146.A N ASP 149.A OD2 no hydrogen 3.004 N/A ARG 146.A NE GLU 48.A OE1 no hydrogen 2.945 N/A ARG 146.A NE GLU 48.A OE2 no hydrogen 3.191 N/A ARG 146.A NH2 GLU 48.A OE2 no hydrogen 2.763 N/A GLY 148.A N ALA 7.A O no hydrogen 2.866 N/A ASP 149.A N ARG 146.A O no hydrogen 2.852 N/A LEU 151.A N ARG 5.A O no hydrogen 2.818 N/A ASP 153.A N ARG 183.A O no hydrogen 2.738 N/A THR 155.A OG1 GLU 185.A OE1 no hydrogen 2.769 N/A HIS 156.A N GLU 185.A O no hydrogen 2.753 N/A ILE 158.A N VAL 187.A O no hydrogen 2.927 N/A VAL 159.A N ASN 166.A OD1 no hydrogen 2.761 N/A PHE 160.A N ILE 189.A O no hydrogen 2.823 N/A ASN 161.A N THR 164.A O no hydrogen 2.893 N/A ASN 161.A ND2 ILE 134.A O no hydrogen 3.114 N/A ASN 161.A ND2 ARG 135.A O no hydrogen 3.681 N/A ASN 161.A ND2 ASN 167.A OD1 no hydrogen 2.827 N/A ASP 162.A N HIS 191.A O no hydrogen 2.962 N/A THR 164.A N ASN 161.A O no hydrogen 2.934 N/A THR 164.A OG1 ASN 161.A O no hydrogen 2.868 N/A ASN 166.A N VAL 159.A O no hydrogen 2.878 N/A ASN 166.A ND2 THR 157.A O no hydrogen 3.094 N/A ASN 167.A ND2 GLN 27.A OE1 no hydrogen 3.105 N/A ASN 167.A ND2 ARG 135.A O no hydrogen 2.990 N/A ARG 168.A N ILE 165.A O no hydrogen 2.951 N/A HIS 171.A N GLY 262.A O no hydrogen 3.104 N/A THR 172.A OG1 LYS 169.A O no hydrogen 2.856 N/A PHE 176.A N LEU 266.A O no hydrogen 2.767 N/A ALA 178.A N LEU 268.A O no hydrogen 2.842 N/A THR 179.A N ASP 182.A OD2 no hydrogen 2.753 N/A VAL 180.A N LYS 270.A O no hydrogen 2.856 N/A GLY 181.A N ALA 240.A O no hydrogen 2.892 N/A ASP 182.A N THR 179.A O no hydrogen 2.989 N/A ARG 183.A N ASP 153.A OD2 no hydrogen 2.747 N/A ARG 183.A NH1 GLN 237.A OE1 no hydrogen 2.933 N/A VAL 184.A N ILE 238.A O no hydrogen 2.927 N/A GLU 185.A N ALA 154.A O no hydrogen 2.850 N/A ILE 186.A N PHE 236.A O no hydrogen 2.894 N/A VAL 187.A N HIS 156.A O no hydrogen 2.895 N/A MET 188.A N PHE 234.A O no hydrogen 2.791 N/A ILE 189.A N ILE 158.A O no hydrogen 2.974 N/A THR 190.A N ASP 232.A O no hydrogen 3.079 N/A THR 190.A OG1 THR 228.A OG1 no hydrogen 2.758 N/A HIS 191.A N PHE 160.A O no hydrogen 2.779 N/A GLU 193.A N ASP 162.A OD1 no hydrogen 2.825 N/A HIS 196.A N THR 228.A O no hydrogen 2.851 N/A PHE 198.A N LYS 226.A O no hydrogen 2.871 N/A HIS 199.A N HIS 252.A O no hydrogen 2.961 N/A HIS 199.A ND1 ASP 224.A O no hydrogen 2.666 N/A MET 200.A N ASP 224.A O no hydrogen 3.314 N/A HIS 201.A N MET 250.A O no hydrogen 2.861 N/A HIS 203.A ND1 HIS 201.A O no hydrogen 2.930 N/A TRP 205.A N ILE 223.A O no hydrogen 2.999 N/A ALA 206.A N GLY 211.A O no hydrogen 3.035 N/A ASP 207.A N ARG 221.A O no hydrogen 2.989 N/A ASN 208.A ND2 ILE 212.A O no hydrogen 2.967 N/A ASN 208.A ND2 ASP 218.A OD2 no hydrogen 2.966 N/A ARG 209.A NH1 ASP 149.A OD2 no hydrogen 3.192 N/A ARG 209.A NH2 ASP 149.A OD1 no hydrogen 2.955 N/A ARG 209.A NH2 ASP 149.A OD2 no hydrogen 3.539 N/A GLY 211.A N ASN 208.A OD1 no hydrogen 2.781 N/A ILE 212.A N THR 210.A OG1 no hydrogen 3.065 N/A ASP 218.A N GLY 215.A O no hydrogen 3.464 N/A SER 220.A N ASP 218.A OD1 no hydrogen 3.119 N/A SER 220.A OG ASP 218.A OD1 no hydrogen 2.456 N/A ILE 223.A N TRP 205.A O no hydrogen 2.878 N/A LYS 226.A N PHE 198.A O no hydrogen 3.017 N/A LYS 226.A NZ ASP 207.A OD1 no hydrogen 3.009 N/A LYS 226.A NZ ASP 207.A OD2 no hydrogen 3.565 N/A THR 228.A N HIS 196.A O no hydrogen 2.737 N/A THR 228.A OG1 THR 190.A OG1 no hydrogen 2.758 N/A GLY 229.A N ASP 232.A OD2 no hydrogen 3.138 N/A ALA 231.A N THR 190.A O no hydrogen 2.672 N/A ASP 232.A N GLY 229.A O no hydrogen 2.839 N/A SER 233.A OG TYR 117.A O no hydrogen 2.619 N/A PHE 234.A N MET 188.A O no hydrogen 3.021 N/A PHE 236.A N ILE 186.A O no hydrogen 3.079 N/A GLN 237.A NE2 VAL 150.A O no hydrogen 2.887 N/A GLN 237.A NE2 GLU 185.A OE2 no hydrogen 3.144 N/A ILE 238.A N VAL 184.A O no hydrogen 2.967 N/A ALA 240.A N ASP 182.A O no hydrogen 2.826 N/A GLY 241.A N HIS 203.A NE2 no hydrogen 2.881 N/A GLU 242.A N ILE 239.A O no hydrogen 3.080 N/A VAL 244.A N GLY 241.A O no hydrogen 2.930 N/A GLY 245.A N GLY 241.A O no hydrogen 2.665 N/A GLY 247.A N VAL 269.A O no hydrogen 2.842 N/A TRP 249.A N PHE 267.A O no hydrogen 3.055 N/A TRP 249.A NE1 GLY 245.A O no hydrogen 3.259 N/A TYR 251.A N GLY 265.A O no hydrogen 3.044 N/A TYR 251.A OH PRO 174.A O no hydrogen 2.831 N/A HIS 252.A N HIS 199.A O no hydrogen 3.065 N/A HIS 252.A ND1 CYS 253.A O no hydrogen 2.805 N/A CYS 253.A N MET 263.A O no hydrogen 3.182 N/A CYS 253.A SG HIS 196.A ND1 no hydrogen 3.630 N/A CYS 253.A SG THR 197.A O no hydrogen 3.763 N/A CYS 253.A SG HIS 258.A ND1 no hydrogen 3.526 N/A HIS 254.A N THR 197.A O no hydrogen 2.741 N/A HIS 254.A N THR 197.A OG1 no hydrogen 3.259 N/A HIS 254.A ND1 HIS 254.A O no hydrogen 2.756 N/A HIS 258.A N VAL 255.A O no hydrogen 3.013 N/A HIS 258.A ND1 HIS 196.A ND1 no hydrogen 3.207 N/A SER 259.A N VAL 255.A O no hydrogen 3.159 N/A SER 259.A OG VAL 255.A O no hydrogen 3.552 N/A SER 259.A OG GLN 256.A O no hydrogen 3.053 N/A ASP 260.A N GLN 256.A O no hydrogen 3.084 N/A MET 261.A N SER 257.A O no hydrogen 2.774 N/A GLY 262.A N SER 259.A O no hydrogen 3.192 N/A MET 263.A N HIS 258.A O no hydrogen 2.921 N/A VAL 264.A N GLY 262.A O no hydrogen 2.865 N/A GLY 265.A N TYR 251.A O no hydrogen 2.931 N/A LEU 266.A N ASP 175.A OD1 no hydrogen 2.856 N/A PHE 267.A N TRP 249.A O no hydrogen 2.719 N/A LEU 268.A N PHE 176.A O no hydrogen 2.696 N/A VAL 269.A N GLY 247.A O no hydrogen 2.912 N/A LYS 270.A N ALA 178.A O no hydrogen 2.722 N/A LYS 270.A NZ GLU 177.A OE1 no hydrogen 2.596 N/A LYS 271.A N THR 275.A O no hydrogen 3.039 N/A GLY 274.A N LYS 271.A O no hydrogen 2.686 N/A THR 275.A N ASP 273.A OD1 no hydrogen 2.812 N/A THR 275.A OG1 ASP 273.A OD1 no hydrogen 2.604 N/A THR 275.A OG1 ASP 273.A OD2 no hydrogen 2.834 N/A