Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mlj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 10.A N ALA 18.A O no hydrogen 2.844 N/A LEU 12.A N ASP 16.A O no hydrogen 2.993 N/A ASP 13.A N ASP 16.A O no hydrogen 3.249 N/A SER 15.A OG ASP 16.A OD1 no hydrogen 3.326 N/A ASP 16.A N ASP 13.A OD2 no hydrogen 3.242 N/A PHE 17.A N LEU 148.A O no hydrogen 3.058 N/A ALA 18.A N THR 10.A O no hydrogen 2.930 N/A LEU 19.A N VAL 146.A O no hydrogen 2.806 N/A ASP 20.A N PRO 8.A O no hydrogen 2.712 N/A ILE 21.A N VAL 144.A O no hydrogen 2.778 N/A ARG 22.A NE ASP 20.A OD1 no hydrogen 2.803 N/A ARG 22.A NH1 GLU 1.A O no hydrogen 3.009 N/A ARG 22.A NH1 CYS 141.A O no hydrogen 3.082 N/A ARG 22.A NH2 ASP 20.A OD1 no hydrogen 2.950 N/A MET 23.A N SER 142.A O no hydrogen 3.080 N/A GLY 25.A N MET 23.A O no hydrogen 2.755 N/A VAL 26.A N ASP 140.A O no hydrogen 2.967 N/A THR 27.A OG1 HIS 138.A O no hydrogen 3.146 N/A ASP 32.A N GLY 129.A O no hydrogen 3.496 N/A THR 33.A N TYR 128.A O no hydrogen 3.080 N/A THR 33.A OG1 GLU 30.A O no hydrogen 2.579 N/A PHE 35.A N VAL 126.A O no hydrogen 3.016 N/A CYS 36.A N TRP 79.A O no hydrogen 2.734 N/A MET 37.A N LEU 124.A O no hydrogen 3.155 N/A MET 39.A N PHE 122.A O no hydrogen 2.834 N/A ARG 40.A NE.B TYR 121.A OH no hydrogen 3.090 N/A LEU 41.A N LYS 120.A O no hydrogen 3.114 N/A ALA 47.A N VAL 113.A O no hydrogen 2.865 N/A PHE 48.A N THR 149.A O no hydrogen 2.869 N/A VAL 49.A N PHE 111.A O no hydrogen 2.791 N/A ILE 50.A N HIS 147.A O no hydrogen 2.990 N/A LYS 53.A N SER 145.A O no hydrogen 2.743 N/A ARG 55.A N GLY 143.A O no hydrogen 2.693 N/A SER 57.A N SER 142.A OG no hydrogen 3.071 N/A SER 57.A OG ASP 140.A OD1 no hydrogen 2.727 N/A SER 57.A OG SER 142.A OG no hydrogen 2.898 N/A THR 60.A N SER 57.A O no hydrogen 3.363 N/A THR 60.A OG1 ASP 130.A O no hydrogen 2.962 N/A VAL 61.A N SER 57.A O no hydrogen 3.152 N/A HIS 62.A N HIS 127.A O no hydrogen 2.808 N/A HIS 63.A NE2 GLN 125.A OE1 no hydrogen 3.164 N/A MET 64.A N TRP 96.A O no hydrogen 2.864 N/A LEU 65.A N GLN 125.A O no hydrogen 2.955 N/A LEU 66.A N TYR 94.A O no hydrogen 2.892 N/A PHE 67.A N VAL 123.A O no hydrogen 2.854 N/A GLY 68.A N ASN 91.A O no hydrogen 2.743 N/A CYS 69.A N TYR 121.A O no hydrogen 3.035 N/A ASN 70.A N ASP 88.A OD2 no hydrogen 2.843 N/A MET 71.A N ASP 88.A OD1 no hydrogen 2.870 N/A SER 73.A N THR 85.A O no hydrogen 2.969 N/A GLY 76.A N SER 74.A OG no hydrogen 3.100 N/A TRP 79.A N CYS 36.A O no hydrogen 2.851 N/A TRP 79.A NE1 GLY 84.A O no hydrogen 2.608 N/A CYS 81.A N TYR 34.A O no hydrogen 3.005 N/A GLU 83.A N PHE 80.A O no hydrogen 2.947 N/A GLY 84.A N CYS 81.A O no hydrogen 3.039 N/A THR 87.A N MET 71.A O no hydrogen 2.733 N/A LYS 89.A NZ.B THR 288.A OG1 no hydrogen 2.727 N/A ASN 91.A N GLY 68.A O no hydrogen 2.882 N/A ASN 91.A ND2 GLY 68.A O no hydrogen 3.534 N/A LEU 93.A N LEU 66.A O no hydrogen 2.868 N/A TRP 96.A N MET 64.A O no hydrogen 2.731 N/A ARG 98.A N HIS 62.A O no hydrogen 3.019 N/A ARG 98.A NE.A VAL 61.A O no hydrogen 3.557 N/A ALA 100.A N ALA 97.A O no hydrogen 3.221 N/A VAL 109.A N PRO 106.A O no hydrogen 3.156 N/A GLY 110.A N LEU 155.A O no hydrogen 2.991 N/A PHE 111.A N VAL 49.A O no hydrogen 2.932 N/A ARG 112.A NE GLU 46.A OE2 no hydrogen 2.933 N/A ARG 112.A NH2 GLU 46.A OE2 no hydrogen 2.805 N/A VAL 113.A N ALA 47.A O no hydrogen 2.827 N/A GLY 114.A N SER 119.A O no hydrogen 2.839 N/A GLY 115.A N ASP 44.A O no hydrogen 2.692 N/A GLY 118.A N GLY 114.A O no hydrogen 2.988 N/A LYS 120.A N ASN 70.A OD1 no hydrogen 2.774 N/A LYS 120.A NZ ASP 44.A OD2 no hydrogen 3.169 N/A LYS 120.A NZ GLY 115.A O no hydrogen 2.772 N/A TYR 121.A N CYS 69.A O no hydrogen 2.797 N/A PHE 122.A N MET 39.A O no hydrogen 2.840 N/A VAL 123.A N PHE 67.A O no hydrogen 3.036 N/A LEU 124.A N MET 37.A O no hydrogen 2.911 N/A GLN 125.A N LEU 65.A O no hydrogen 2.792 N/A VAL 126.A N PHE 35.A O no hydrogen 2.818 N/A HIS 127.A N HIS 63.A O no hydrogen 2.845 N/A HIS 127.A ND1 HIS 62.A ND1 no hydrogen 3.045 N/A HIS 127.A NE2 ASP 32.A OD2 no hydrogen 2.778 N/A TYR 128.A N THR 33.A O no hydrogen 2.882 N/A TYR 128.A OH ASP 140.A OD2 no hydrogen 2.667 N/A GLY 129.A N THR 60.A O no hydrogen 3.105 N/A SER 132.A OG ASP 130.A OD1 no hydrogen 2.957 N/A PHE 134.A N ILE 131.A O no hydrogen 3.070 N/A ASN 137.A N PHE 134.A O no hydrogen 3.175 N/A LYS 139.A NZ GLY 25.A O no hydrogen 3.054 N/A ASP 140.A N VAL 26.A O no hydrogen 2.757 N/A CYS 141.A SG MET 23.A O no hydrogen 3.273 N/A SER 142.A N ASP 140.A OD2 no hydrogen 3.122 N/A SER 142.A OG ASP 140.A OD1 no hydrogen 3.168 N/A SER 142.A OG ASP 140.A OD2 no hydrogen 3.125 N/A GLY 143.A N ARG 55.A O no hydrogen 2.898 N/A VAL 144.A N ILE 21.A O no hydrogen 2.798 N/A SER 145.A N LYS 53.A O no hydrogen 2.768 N/A SER 145.A OG.A ASP 20.A OD1 no hydrogen 2.593 N/A SER 145.A OG.A ASP 20.A OD2 no hydrogen 2.830 N/A SER 145.A OG.B ASP 20.A OD2 no hydrogen 3.021 N/A VAL 146.A N LEU 19.A O no hydrogen 2.778 N/A HIS 147.A N ASP 51.A O no hydrogen 2.980 N/A HIS 147.A NE2 ASP 16.A OD2 no hydrogen 2.799 N/A LEU 148.A N PHE 17.A O no hydrogen 2.868 N/A THR 149.A N PHE 48.A O no hydrogen 2.918 N/A THR 149.A OG1 ASP 16.A OD1 no hydrogen 2.723 N/A ARG 150.A N SER 15.A O no hydrogen 3.086 N/A VAL 151.A N THR 149.A OG1 no hydrogen 3.058 N/A GLN 153.A NE2 VAL 151.A O no hydrogen 2.834 N/A LEU 155.A N GLY 108.A O no hydrogen 3.040 N/A ILE 156.A N MET 278.A O no hydrogen 2.907 N/A ALA 157.A N GLY 110.A O no hydrogen 2.858 N/A GLY 158.A N TYR 276.A O no hydrogen 2.996 N/A MET 159.A N SER 285.A O no hydrogen 3.028 N/A TYR 160.A N ILE 274.A O no hydrogen 2.841 N/A LEU 161.A N MET 287.A O no hydrogen 2.829 N/A MET 162.A N LEU 272.A O no hydrogen 3.039 N/A MET 163.A N CYS 289.A O no hydrogen 2.913 N/A SER 164.A N CYS 270.A O no hydrogen 2.979 N/A ILE 169.A N THR 259.A O no hydrogen 2.744 N/A GLY 172.A N GLY 252.A O no hydrogen 3.119 N/A GLU 173.A N PRO 170.A O no hydrogen 3.327 N/A VAL 176.A N PHE 250.A O no hydrogen 3.065 N/A ALA 178.A N CYS 248.A O no hydrogen 2.859 N/A ILE 180.A N ALA 246.A O no hydrogen 2.804 N/A SER 181.A N LYS 291.A O no hydrogen 2.816 N/A SER 181.A OG ASN 292.A OD1 no hydrogen 2.904 N/A CYS 182.A N LEU 244.A O no hydrogen 3.211 N/A CYS 182.A SG SER 181.A O no hydrogen 3.320 N/A TYR 184.A N ASP 242.A O no hydrogen 2.729 N/A TYR 184.A OH TYR 187.A O no hydrogen 2.568 N/A MET 189.A N VAL 238.A O no hydrogen 3.026 N/A HIS 190.A N TYR 277.A O no hydrogen 2.934 N/A VAL 191.A N VAL 236.A O no hydrogen 2.857 N/A PHE 192.A N MET 275.A O no hydrogen 2.928 N/A ALA 193.A N MET 275.A O no hydrogen 3.304 N/A TYR 194.A N TYR 230.A O no hydrogen 2.922 N/A TYR 194.A OH ARG 220.A O no hydrogen 3.282 N/A ARG 195.A N TYR 273.A O no hydrogen 2.853 N/A ARG 195.A NE GLN 227.A O no hydrogen 2.816 N/A HIS 197.A N ASN 271.A O no hydrogen 2.852 N/A HIS 197.A ND1 GLN 227.A OE1 no hydrogen 2.845 N/A THR 198.A OG1 HIS 199.A O no hydrogen 2.790 N/A HIS 199.A N GLU 268.A OE2 no hydrogen 2.714 N/A HIS 199.A ND1 ASP 267.A O no hydrogen 2.780 N/A LEU 201.A N GLU 268.A OE1 no hydrogen 2.807 N/A GLY 202.A N HIS 199.A O no hydrogen 3.337 N/A LYS 203.A N VAL 249.A O no hydrogen 2.773 N/A VAL 205.A N GLN 221.A O no hydrogen 2.886 N/A SER 206.A N ARG 247.A O no hydrogen 3.051 N/A GLY 207.A N GLY 219.A O no hydrogen 2.815 N/A TYR 208.A N ALA 245.A O no hydrogen 2.642 N/A TYR 208.A OH GLU 304.A OE1 no hydrogen 3.152 N/A ARG 209.A N THR 216.A O no hydrogen 2.869 N/A ARG 209.A NH1 ASP 237.A O no hydrogen 2.787 N/A VAL 210.A N ILE 243.A O no hydrogen 2.776 N/A ARG 211.A N GLN 214.A O no hydrogen 3.052 N/A ARG 211.A NE ASP 242.A OD2 no hydrogen 3.014 N/A ARG 211.A NH2 ASP 237.A OD1 no hydrogen 2.761 N/A ARG 211.A NH2 ASP 242.A OD1 no hydrogen 3.042 N/A GLN 214.A N ARG 211.A O no hydrogen 3.047 N/A TRP 215.A NE1 THR 300.A OG1 no hydrogen 3.024 N/A THR 216.A N ARG 209.A O no hydrogen 2.837 N/A ILE 218.A N GLY 207.A O no hydrogen 2.944 N/A GLY 219.A N GLY 207.A O no hydrogen 3.433 N/A ARG 220.A NE GLU 304.A O no hydrogen 2.648 N/A ARG 220.A NH2 GLU 304.A O no hydrogen 3.140 N/A ARG 220.A NH2 ILE 307.A O no hydrogen 2.882 N/A GLN 221.A N VAL 205.A O no hydrogen 2.888 N/A ASN 222.A N GLN 221.A OE1 no hydrogen 2.866 N/A GLN 224.A N ASN 222.A OD1 no hydrogen 2.832 N/A GLN 224.A NE2 HIS 199.A O no hydrogen 2.831 N/A GLN 224.A NE2 GLY 202.A O no hydrogen 2.706 N/A LEU 225.A N ASN 222.A O no hydrogen 3.180 N/A GLN 227.A NE2 THR 198.A O no hydrogen 3.279 N/A GLN 227.A NE2 PRO 223.A O no hydrogen 2.874 N/A ALA 228.A N PRO 226.A O no hydrogen 3.011 N/A TYR 230.A N TYR 194.A O no hydrogen 2.678 N/A TYR 230.A OH PRO 226.A O no hydrogen 2.680 N/A VAL 232.A N PHE 192.A O no hydrogen 3.071 N/A HIS 234.A ND1.A GLU 233.A OE1.A no hydrogen 2.997 N/A VAL 238.A N MET 189.A O no hydrogen 2.789 N/A THR 239.A N ASP 242.A OD1 no hydrogen 2.816 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 3.086 N/A GLY 241.A N TYR 184.A O no hydrogen 3.031 N/A ASP 242.A N THR 239.A O no hydrogen 2.857 N/A ILE 243.A N VAL 210.A O no hydrogen 3.037 N/A LEU 244.A N CYS 182.A O no hydrogen 2.925 N/A ALA 245.A N TYR 208.A O no hydrogen 2.927 N/A ALA 246.A N ILE 180.A O no hydrogen 2.884 N/A ARG 247.A N SER 206.A O no hydrogen 2.984 N/A ARG 247.A NE ASP 179.A OD1 no hydrogen 2.735 N/A ARG 247.A NH1 ASN 306.A OD1 no hydrogen 2.831 N/A ARG 247.A NH2 ASP 179.A OD1 no hydrogen 3.493 N/A ARG 247.A NH2 ASP 179.A OD2 no hydrogen 2.982 N/A CYS 248.A N ALA 178.A O no hydrogen 2.949 N/A VAL 249.A N VAL 204.A O no hydrogen 2.888 N/A PHE 250.A N VAL 176.A O no hydrogen 2.891 N/A THR 251.A N LEU 201.A O no hydrogen 3.220 N/A THR 251.A OG1 GLU 173.A O no hydrogen 3.242 N/A THR 251.A OG1 LYS 174.A O no hydrogen 3.057 N/A GLY 252.A N GLU 173.A O no hydrogen 2.597 N/A GLU 253.A N THR 251.A OG1 no hydrogen 3.119 N/A ARG 255.A N GLY 252.A O no hydrogen 3.094 N/A THR 259.A N ILE 169.A O no hydrogen 2.809 N/A HIS 260.A ND1 ILE 261.A O no hydrogen 2.748 N/A GLY 262.A N GLU 268.A O no hydrogen 3.043 N/A THR 264.A N ASP 267.A OD2 no hydrogen 3.095 N/A THR 264.A OG1 SER 266.A OG no hydrogen 3.259 N/A THR 264.A OG1 ASP 267.A OD2 no hydrogen 2.622 N/A SER 266.A OG THR 264.A OG1 no hydrogen 3.259 N/A ASP 267.A N THR 264.A O no hydrogen 3.024 N/A GLU 268.A N HIS 260.A O no hydrogen 2.954 N/A MET 269.A N GLU 268.A OE2 no hydrogen 3.238 N/A ASN 271.A N HIS 197.A O no hydrogen 2.977 N/A LEU 272.A N MET 162.A O no hydrogen 2.880 N/A TYR 273.A N ARG 195.A O no hydrogen 2.738 N/A TYR 273.A OH ASN 271.A OD1 no hydrogen 3.047 N/A ILE 274.A N TYR 160.A O no hydrogen 2.928 N/A MET 275.A N ALA 193.A O no hydrogen 2.759 N/A TYR 276.A N GLY 158.A O no hydrogen 3.032 N/A TYR 276.A OH LEU 284.A O no hydrogen 2.642 N/A TYR 277.A N HIS 190.A O no hydrogen 2.907 N/A MET 278.A N ILE 156.A O no hydrogen 2.921 N/A ALA 280.A N PRO 154.A O no hydrogen 3.024 N/A TYR 282.A N GLU 279.A O no hydrogen 2.884 N/A ALA 283.A N ALA 280.A O no hydrogen 3.327 N/A MET 287.A N MET 159.A O no hydrogen 2.909 N/A CYS 289.A N LEU 161.A O no hydrogen 2.742 N/A CYS 289.A SG LYS 291.A O no hydrogen 3.667 N/A VAL 293.A N SER 181.A O no hydrogen 3.020 N/A ALA 294.A N SER 181.A OG no hydrogen 3.049 N/A MET 297.A N ALA 294.A O no hydrogen 3.270 N/A PHE 298.A N PRO 295.A O no hydrogen 3.293 N/A ARG 299.A N ASP 296.A O no hydrogen 3.150 N/A ARG 299.A NE ASP 296.A O no hydrogen 3.086 N/A THR 300.A N MET 297.A O no hydrogen 3.260 N/A THR 300.A OG1 MET 297.A O no hydrogen 3.029 N/A ILE 301.A N PHE 298.A O no hydrogen 3.492 N/A ALA 305.A N PRO 302.A O no hydrogen 3.144 N/A ASN 306.A N ALA 303.A O no hydrogen 3.010 N/A ILE 307.A N GLU 304.A O no hydrogen 3.307 N/A