Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mdt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLN 288.A O no hydrogen 3.128 N/A MET 1.A N ASP 290.A OD1 no hydrogen 2.788 N/A ILE 2.A N PHE 287.A O no hydrogen 2.993 N/A LYS 3.A NZ ASN 124.A OD1 no hydrogen 3.533 N/A GLN 4.A N SER 125.A O no hydrogen 2.893 N/A GLN 4.A NE2 ASN 34.A OD1 no hydrogen 2.868 N/A GLN 4.A NE2 ALA 126.A O no hydrogen 2.890 N/A ARG 5.A N ASP 90.A OD2 no hydrogen 2.803 N/A ARG 5.A NH1 LEU 87.A O no hydrogen 2.740 N/A THR 6.A N ASP 121.A O no hydrogen 2.729 N/A THR 6.A OG1 ALA 31.A O no hydrogen 3.339 N/A THR 6.A OG1 ASN 91.A O no hydrogen 2.675 N/A LEU 7.A N THR 6.A OG1 no hydrogen 2.724 N/A LYS 8.A N GLY 119.A O no hydrogen 2.608 N/A LYS 8.A NZ ASP 121.A OD1 no hydrogen 3.435 N/A ARG 9.A N ALA 118.A O no hydrogen 3.143 N/A VAL 11.A N LEU 28.A O no hydrogen 3.159 N/A ALA 13.A N LEU 26.A O no hydrogen 3.018 N/A THR 14.A OG1 THR 25.A OG1 no hydrogen 3.123 N/A GLY 15.A N VAL 24.A O no hydrogen 3.029 N/A GLY 17.A N LYS 22.A O no hydrogen 3.295 N/A HIS 19.A N GLU 100.A OE1 no hydrogen 3.483 N/A THR 20.A N GLU 100.A OE2 no hydrogen 2.822 N/A THR 20.A OG1 GLU 100.A OE2 no hydrogen 3.542 N/A GLY 21.A N GLY 17.A O no hydrogen 2.989 N/A LYS 22.A N THR 20.A OG1 no hydrogen 3.078 N/A VAL 24.A N GLY 15.A O no hydrogen 2.707 N/A THR 25.A N ASN 97.A OD1 no hydrogen 2.715 N/A THR 25.A OG1 THR 14.A OG1 no hydrogen 3.123 N/A LEU 26.A N ALA 13.A O no hydrogen 2.727 N/A THR 27.A N GLU 95.A O no hydrogen 2.784 N/A LEU 28.A N VAL 11.A O no hydrogen 3.058 N/A ARG 29.A N VAL 93.A O no hydrogen 2.807 N/A ARG 29.A NE GLU 95.A OE1 no hydrogen 2.910 N/A ALA 31.A N THR 6.A OG1 no hydrogen 2.989 N/A ASN 34.A N GLN 4.A OE1 no hydrogen 3.020 N/A THR 35.A N ASN 91.A OD1 no hydrogen 3.032 N/A THR 35.A OG1 PRO 32.A O no hydrogen 2.844 N/A THR 35.A OG1 ASN 91.A OD1 no hydrogen 3.507 N/A GLY 36.A N ASN 91.A OD1 no hydrogen 2.984 N/A ILE 38.A N ILE 92.A O no hydrogen 2.796 N/A TYR 39.A N PHE 50.A O no hydrogen 3.003 N/A TYR 39.A OH ASN 81.A OD1 no hydrogen 2.511 N/A ARG 40.A N ILE 94.A O no hydrogen 2.639 N/A ARG 40.A NE ASP 49.A OD1 no hydrogen 2.796 N/A ARG 40.A NH1 GLU 95.A OE2 no hydrogen 3.070 N/A ARG 40.A NH2 ASP 49.A OD2 no hydrogen 3.023 N/A ARG 41.A N VAL 48.A O no hydrogen 2.728 N/A ARG 41.A NE ASP 43.A OD1 no hydrogen 3.010 N/A ARG 41.A NH1 ARG 73.A O no hydrogen 3.270 N/A ARG 41.A NH2 ASP 43.A OD1 no hydrogen 3.100 N/A THR 42.A N VAL 96.A O no hydrogen 2.782 N/A THR 42.A OG1 VAL 96.A O no hydrogen 3.347 N/A VAL 48.A N ARG 41.A O no hydrogen 3.130 N/A PHE 50.A N TYR 39.A O no hydrogen 2.686 N/A ALA 52.A N VAL 37.A O no hydrogen 2.925 N/A LYS 55.A N ASP 53.A OD2 no hydrogen 3.370 N/A SER 56.A N ASP 53.A O no hydrogen 3.095 N/A SER 56.A OG ASP 53.A O no hydrogen 3.286 N/A SER 56.A OG ASP 53.A OD1 no hydrogen 3.227 N/A VAL 57.A N ALA 54.A O no hydrogen 3.378 N/A ARG 58.A N CYS 65.A O no hydrogen 3.195 N/A CYS 63.A SG THR 76.A OG1 no hydrogen 3.567 N/A THR 64.A N GLU 78.A OE1 no hydrogen 3.204 N/A THR 64.A OG1 ASP 246.A OD1 no hydrogen 2.522 N/A THR 64.A OG1 HIS 265.A ND1 no hydrogen 3.168 N/A CYS 65.A N ASP 59.A O no hydrogen 3.122 N/A CYS 65.A SG LEU 66.A O no hydrogen 3.904 N/A CYS 65.A SG ILE 74.A O no hydrogen 3.997 N/A LEU 66.A N ILE 74.A O no hydrogen 2.710 N/A VAL 67.A N SER 56.A O no hydrogen 2.968 N/A ASN 68.A N VAL 72.A O no hydrogen 3.076 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 3.032 N/A HIS 70.A N ASN 68.A OD1 no hydrogen 2.910 N/A VAL 72.A N ASN 68.A OD1 no hydrogen 2.891 N/A ARG 73.A NE ASP 71.A OD2 no hydrogen 3.396 N/A ARG 73.A NH2 ASP 71.A OD1 no hydrogen 3.461 N/A ILE 74.A N LEU 66.A O no hydrogen 2.901 N/A SER 75.A N PRO 99.A O no hydrogen 2.881 N/A SER 75.A OG PRO 99.A O no hydrogen 3.424 N/A THR 76.A OG1 GLU 100.A OE1 no hydrogen 3.425 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.760 N/A HIS 79.A NE2 ASP 242.A OD1 no hydrogen 3.075 N/A ASN 81.A N VAL 77.A O no hydrogen 2.959 N/A ASN 81.A ND2 GLY 245.A O no hydrogen 2.892 N/A ALA 82.A N GLU 78.A O no hydrogen 3.126 N/A ALA 83.A N HIS 79.A O no hydrogen 3.463 N/A LEU 84.A N LEU 80.A O no hydrogen 3.051 N/A ALA 85.A N ASN 81.A O no hydrogen 2.873 N/A GLY 86.A N ALA 82.A O no hydrogen 2.789 N/A LEU 87.A N ALA 83.A O no hydrogen 3.062 N/A GLY 88.A N ALA 85.A O no hydrogen 3.121 N/A ILE 89.A N LEU 84.A O no hydrogen 2.898 N/A ASP 90.A N ARG 5.A O no hydrogen 3.153 N/A ASN 91.A N ARG 5.A O no hydrogen 3.223 N/A ASN 91.A ND2 GLN 4.A OE1 no hydrogen 2.881 N/A ILE 92.A N GLY 36.A O no hydrogen 3.326 N/A VAL 93.A N ARG 29.A O no hydrogen 3.162 N/A ILE 94.A N ILE 38.A O no hydrogen 2.615 N/A GLU 95.A N THR 27.A O no hydrogen 2.746 N/A VAL 96.A N ARG 40.A O no hydrogen 2.774 N/A ILE 101.A N SER 75.A O no hydrogen 3.016 N/A ILE 103.A N VAL 16.A O no hydrogen 2.949 N/A GLY 106.A N ILE 103.A O no hydrogen 2.855 N/A SER 107.A N ASP 105.A OD1 no hydrogen 3.127 N/A SER 107.A OG ASP 105.A OD1 no hydrogen 2.711 N/A SER 107.A OG ASP 105.A OD2 no hydrogen 3.459 N/A SER 107.A OG SER 187.A O no hydrogen 3.470 N/A ALA 108.A N SER 187.A O no hydrogen 2.938 N/A ALA 109.A N SER 187.A O no hydrogen 2.950 N/A VAL 112.A N ALA 108.A O no hydrogen 3.099 N/A VAL 112.A N ALA 109.A O no hydrogen 2.969 N/A TYR 113.A N ALA 109.A O no hydrogen 3.085 N/A LEU 114.A N PRO 110.A O no hydrogen 3.161 N/A LEU 115.A N PHE 111.A O no hydrogen 3.015 N/A LEU 116.A N VAL 112.A O no hydrogen 2.894 N/A ASP 117.A N TYR 113.A O no hydrogen 2.792 N/A ALA 118.A N LEU 114.A O no hydrogen 3.180 N/A GLY 119.A N LEU 115.A O no hydrogen 2.997 N/A GLY 119.A N LEU 116.A O no hydrogen 2.839 N/A ASP 121.A N THR 6.A O no hydrogen 2.657 N/A LEU 123.A N GLN 4.A O no hydrogen 2.932 N/A SER 125.A N LEU 123.A O no hydrogen 2.842 N/A LYS 127.A N ILE 2.A O no hydrogen 2.965 N/A LYS 127.A NZ GLY 88.A O no hydrogen 3.196 N/A LYS 127.A NZ ASN 253.A OD1 no hydrogen 2.944 N/A PHE 129.A N VAL 285.A O no hydrogen 2.856 N/A VAL 130.A N ASN 253.A O no hydrogen 2.942 N/A ARG 131.A N GLU 283.A O no hydrogen 2.747 N/A ARG 131.A NE GLU 283.A OE2 no hydrogen 2.872 N/A ARG 131.A NH2 GLU 283.A OE2 no hydrogen 3.286 N/A ILE 132.A N ILE 255.A O no hydrogen 3.050 N/A LYS 133.A N ALA 281.A O no hydrogen 2.635 N/A LYS 133.A NZ GLU 283.A OE1 no hydrogen 3.080 N/A VAL 136.A N PHE 147.A O no hydrogen 2.932 N/A ARG 137.A NE GLU 139.A OE2 no hydrogen 3.238 N/A ARG 137.A NH2 GLU 139.A OE2 no hydrogen 3.549 N/A VAL 138.A N ALA 145.A O no hydrogen 3.055 N/A ASP 140.A N LYS 143.A O no hydrogen 2.828 N/A LYS 143.A N ASP 140.A O no hydrogen 3.158 N/A LYS 143.A NZ ASP 140.A OD2 no hydrogen 3.298 N/A TRP 144.A N TYR 261.A O no hydrogen 3.042 N/A ALA 145.A N VAL 138.A O no hydrogen 3.103 N/A GLU 146.A N THR 259.A O no hydrogen 2.656 N/A PHE 147.A N VAL 136.A O no hydrogen 2.985 N/A LYS 148.A N ALA 257.A O no hydrogen 2.873 N/A LYS 148.A NZ GLU 146.A OE1 no hydrogen 3.475 N/A LYS 148.A NZ GLU 146.A OE2 no hydrogen 3.307 N/A LEU 155.A N MET 175.A O no hydrogen 3.012 N/A ASP 156.A N PHE 258.A O no hydrogen 3.040 N/A PHE 157.A N TYR 173.A O no hydrogen 2.823 N/A THR 158.A N ALA 260.A O no hydrogen 2.810 N/A ILE 159.A N GLN 171.A O no hydrogen 2.787 N/A PHE 161.A N GLN 171.A OE1 no hydrogen 3.422 N/A HIS 163.A NE2 ASP 219.A O no hydrogen 2.654 N/A ALA 165.A N HIS 163.A ND1 no hydrogen 3.063 N/A ASP 167.A N HIS 163.A O no hydrogen 2.959 N/A SER 169.A N ILE 166.A O no hydrogen 3.112 N/A SER 169.A OG ILE 166.A O no hydrogen 2.552 N/A SER 169.A OG ASN 170.A O no hydrogen 3.371 N/A ASN 170.A ND2 ARG 172.A O no hydrogen 2.596 N/A ASN 170.A ND2 ASP 233.A OD2 no hydrogen 3.307 N/A GLN 171.A NE2 PHE 161.A O no hydrogen 3.606 N/A TYR 173.A N PHE 157.A O no hydrogen 2.997 N/A TYR 173.A OH GLN 185.A OE1 no hydrogen 2.621 N/A MET 175.A N LEU 155.A O no hydrogen 2.806 N/A PHE 177.A N PHE 153.A O no hydrogen 2.813 N/A ALA 181.A N SER 178.A OG no hydrogen 3.001 N/A PHE 182.A N SER 178.A O no hydrogen 2.927 N/A MET 183.A N ALA 179.A O no hydrogen 3.127 N/A ARG 184.A N ASP 180.A O no hydrogen 2.973 N/A GLN 185.A N ALA 181.A O no hydrogen 2.891 N/A ILE 186.A N PHE 182.A O no hydrogen 2.862 N/A SER 187.A N PHE 182.A O no hydrogen 2.798 N/A SER 187.A OG MET 183.A O no hydrogen 2.648 N/A ALA 189.A N ILE 186.A O no hydrogen 2.831 N/A ARG 190.A N GLU 234.A OE2 no hydrogen 2.784 N/A ARG 190.A NE GLU 234.A OE2 no hydrogen 3.009 N/A ARG 190.A NH2 GLY 228.A O no hydrogen 2.899 N/A ARG 190.A NH2 GLU 234.A OE1 no hydrogen 3.232 N/A THR 191.A N GLY 106.A O no hydrogen 3.039 N/A GLY 193.A N ILE 216.A O no hydrogen 2.749 N/A MET 195.A N VAL 218.A O no hydrogen 2.754 N/A ILE 198.A N PHE 194.A O no hydrogen 3.112 N/A GLU 199.A N MET 195.A O no hydrogen 3.058 N/A TYR 200.A N ARG 196.A O no hydrogen 3.217 N/A LEU 201.A N ASP 197.A O no hydrogen 2.931 N/A GLN 202.A N ILE 198.A O no hydrogen 2.845 N/A GLN 202.A NE2 CYS 207.A O no hydrogen 2.677 N/A SER 203.A N GLU 199.A O no hydrogen 3.225 N/A SER 203.A OG GLU 199.A O no hydrogen 3.566 N/A SER 203.A OG TYR 200.A O no hydrogen 2.876 N/A ARG 204.A N LEU 201.A O no hydrogen 3.252 N/A ARG 204.A NH1 SER 203.A OG no hydrogen 2.673 N/A GLY 205.A N GLN 202.A O no hydrogen 3.158 N/A LEU 206.A N LEU 201.A O no hydrogen 2.788 N/A CYS 207.A SG HIS 19.A ND1 no hydrogen 3.158 N/A LEU 208.A N HIS 19.A O no hydrogen 3.297 N/A GLY 209.A N LEU 18.A O no hydrogen 2.792 N/A GLY 210.A N CYS 207.A O no hydrogen 3.284 N/A CYS 214.A N SER 211.A O no hydrogen 3.375 N/A CYS 214.A SG GLY 209.A O no hydrogen 3.706 N/A CYS 214.A SG SER 211.A O no hydrogen 3.570 N/A ILE 216.A N THR 191.A O no hydrogen 2.762 N/A VAL 217.A N ASN 225.A OD1 no hydrogen 2.808 N/A VAL 218.A N GLY 193.A O no hydrogen 2.711 N/A ASP 219.A N ARG 222.A O no hydrogen 3.003 N/A TYR 221.A N ASP 219.A OD1 no hydrogen 2.927 N/A ARG 222.A N ASP 219.A OD1 no hydrogen 2.721 N/A LEU 224.A N VAL 217.A O no hydrogen 2.873 N/A ASN 225.A ND2 ALA 215.A O no hydrogen 3.052 N/A GLY 228.A N ASN 225.A O no hydrogen 2.932 N/A ARG 230.A N GLU 234.A OE1 no hydrogen 2.778 N/A ARG 230.A NH1 ASP 105.A OD2 no hydrogen 3.034 N/A ARG 230.A NH1 SER 107.A OG no hydrogen 3.379 N/A ARG 230.A NH1 ARG 188.A O no hydrogen 2.744 N/A ARG 230.A NH2 ASP 105.A OD2 no hydrogen 2.620 N/A GLU 234.A N PHE 231.A O no hydrogen 3.292 N/A ARG 237.A N ASP 233.A O no hydrogen 3.122 N/A ARG 237.A NE ASP 233.A OD1 no hydrogen 2.944 N/A ARG 237.A NH1 GLN 185.A O no hydrogen 2.765 N/A HIS 238.A N GLU 234.A O no hydrogen 2.919 N/A HIS 238.A ND1 ALA 189.A O no hydrogen 2.814 N/A LYS 239.A N PHE 235.A O no hydrogen 3.167 N/A LYS 239.A NZ SER 263.A O no hydrogen 3.471 N/A MET 240.A N VAL 236.A O no hydrogen 3.088 N/A LEU 241.A N ARG 237.A O no hydrogen 2.976 N/A ASP 242.A N HIS 238.A O no hydrogen 2.820 N/A ALA 243.A N LYS 239.A O no hydrogen 3.120 N/A ILE 244.A N MET 240.A O no hydrogen 2.988 N/A GLY 245.A N LEU 241.A O no hydrogen 2.910 N/A ASP 246.A N ASP 242.A O no hydrogen 2.676 N/A LEU 247.A N ALA 243.A O no hydrogen 2.843 N/A PHE 248.A N ILE 244.A O no hydrogen 3.270 N/A PHE 248.A N GLY 245.A O no hydrogen 3.217 N/A MET 249.A N ASP 246.A O no hydrogen 3.106 N/A CYS 250.A SG LEU 247.A O no hydrogen 3.672 N/A CYS 250.A SG HIS 252.A O no hydrogen 3.491 N/A GLY 251.A N PHE 248.A O no hydrogen 2.768 N/A ASN 253.A ND2 ALA 85.A O no hydrogen 3.117 N/A ILE 255.A N VAL 130.A O no hydrogen 2.876 N/A GLY 256.A N GLY 152.A O no hydrogen 2.915 N/A ALA 257.A N LYS 148.A O no hydrogen 2.729 N/A PHE 258.A N SER 154.A O no hydrogen 3.006 N/A THR 259.A N GLU 146.A O no hydrogen 2.717 N/A ALA 260.A N ASP 156.A O no hydrogen 2.919 N/A TYR 261.A N TRP 144.A O no hydrogen 2.919 N/A LYS 262.A N THR 158.A O no hydrogen 2.879 N/A LYS 262.A NZ ASP 142.A OD2 no hydrogen 3.067 N/A LYS 262.A NZ ASP 160.A OD2 no hydrogen 3.161 N/A SER 263.A OG ASN 268.A OD1 no hydrogen 2.718 N/A HIS 265.A ND1 ASP 246.A OD2 no hydrogen 2.672 N/A ASN 268.A N GLY 264.A O no hydrogen 2.829 N/A ASN 268.A ND2 ASP 246.A OD2 no hydrogen 3.044 N/A ASN 269.A N HIS 265.A O no hydrogen 3.049 N/A ASN 269.A ND2 ALA 54.A O no hydrogen 2.980 N/A LYS 270.A N ALA 266.A O no hydrogen 3.001 N/A LYS 270.A NZ GLU 139.A O no hydrogen 2.807 N/A LEU 271.A N LEU 267.A O no hydrogen 2.890 N/A LEU 272.A N ASN 268.A O no hydrogen 3.145 N/A GLN 273.A N ASN 269.A O no hydrogen 2.857 N/A GLN 273.A NE2 ASN 269.A OD1 no hydrogen 2.674 N/A ALA 274.A N LYS 270.A O no hydrogen 2.711 N/A VAL 275.A N LEU 271.A O no hydrogen 2.727 N/A LEU 276.A N LEU 272.A O no hydrogen 2.981 N/A ALA 277.A N GLN 273.A O no hydrogen 3.001 N/A LYS 278.A N VAL 275.A O no hydrogen 3.050 N/A LYS 278.A NZ GLU 134.A OE1 no hydrogen 3.019 N/A GLN 279.A NE2 GLU 280.A OE2 no hydrogen 3.487 N/A ALA 281.A N LYS 278.A O no hydrogen 2.817 N/A TRP 282.A NE1 LEU 276.A O no hydrogen 3.096 N/A GLU 283.A N ARG 131.A O no hydrogen 2.893 N/A TYR 284.A OH HIS 252.A NE2 no hydrogen 3.086 N/A VAL 285.A N PHE 129.A O no hydrogen 2.832 N/A ALA 291.A N ASP 289.A OD1 no hydrogen 3.221 N/A GLU 292.A N ASP 289.A O no hydrogen 3.078 N/A PHE 297.A N PRO 294.A O no hydrogen 3.073 N/A LYS 298.A N LEU 295.A O no hydrogen 2.960 N/A