Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g72_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLY 148.A O no hydrogen 3.366 N/A GLY 1.A N LEU 150.A O no hydrogen 3.075 N/A THR 3.A N VAL 149.A O no hydrogen 2.774 N/A THR 3.A OG1 VAL 149.A O no hydrogen 2.196 N/A SER 5.A N LEU 171.A O no hydrogen 2.803 N/A SER 5.A OG VAL 96.A O no hydrogen 3.484 N/A VAL 7.A N ILE 169.A O no hydrogen 2.708 N/A LEU 9.A N GLY 167.A O no hydrogen 2.839 N/A THR 10.A N TYR 18.A O.A no hydrogen 2.867 N/A THR 10.A N TYR 18.A O.B no hydrogen 2.941 N/A ASN 11.A ND2 ASP 14.A OD1 no hydrogen 2.995 N/A TYR 12.A N GLN 16.A O no hydrogen 2.794 N/A ASP 14.A N ASN 11.A OD1 no hydrogen 2.690 N/A THR 15.A N TYR 12.A O no hydrogen 3.004 N/A THR 15.A OG1 TYR 12.A O no hydrogen 3.366 N/A GLN 16.A N TYR 12.A O no hydrogen 3.205 N/A GLN 16.A NE2 LEU 118.A O no hydrogen 3.223 N/A TYR 17.A OH ASN 160.A O no hydrogen 2.606 N/A TYR 18.A N.A THR 10.A O no hydrogen 3.242 N/A TYR 18.A N.B THR 10.A O no hydrogen 3.203 N/A GLY 19.A N VAL 32.A O no hydrogen 3.014 N/A ILE 21.A N PHE 30.A O no hydrogen 2.998 N/A GLY 22.A N THR 95.A O no hydrogen 2.919 N/A ILE 23.A N GLN 28.A O no hydrogen 2.798 N/A GLY 24.A N ILE 93.A O no hydrogen 2.899 N/A THR 25.A N SER 66.A OG no hydrogen 3.100 N/A THR 25.A OG1 SER 68.A OG no hydrogen 2.750 N/A GLN 28.A N ILE 23.A O no hydrogen 2.780 N/A GLN 28.A NE2 ASP 62.A O no hydrogen 2.883 N/A PHE 30.A N ILE 21.A O no hydrogen 3.023 N/A LYS 31.A N ASP 122.A OD2 no hydrogen 2.773 N/A VAL 32.A N GLY 19.A O no hydrogen 2.804 N/A VAL 33.A N GLY 123.A O no hydrogen 2.928 N/A ASP 35.A N VAL 125.A O no hydrogen 2.927 N/A THR 36.A N THR 220.A OG1 no hydrogen 2.717 N/A THR 36.A OG1 VAL 218.A O no hydrogen 2.503 N/A THR 36.A OG1 THR 220.A OG1 no hydrogen 3.340 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 2.779 N/A SER 38.A N ASP 35.A O no hydrogen 3.340 N/A SER 38.A OG ASP 35.A OD2 no hydrogen 2.586 N/A SER 39.A OG PHE 129.A O no hydrogen 2.674 N/A ASN 40.A ND2 ILE 134.A O no hydrogen 3.070 N/A TRP 42.A N VAL 124.A O.A no hydrogen 2.956 N/A TRP 42.A N VAL 124.A O.B no hydrogen 2.937 N/A VAL 43.A N GLY 106.A O no hydrogen 3.032 N/A SER 45.A N VAL 108.A O no hydrogen 2.760 N/A SER 45.A OG GLU 107.A OE1 no hydrogen 2.573 N/A SER 46.A N PHE 61.A O no hydrogen 2.855 N/A SER 46.A OG PHE 61.A O no hydrogen 3.363 N/A LYS 47.A N SER 45.A OG no hydrogen 2.902 N/A CYS 48.A N SER 45.A O no hydrogen 2.916 N/A CYS 48.A SG SER 49.A O no hydrogen 3.669 N/A CYS 48.A SG THR 109.A O no hydrogen 3.270 N/A LEU 51.A N SER 49.A OG no hydrogen 3.138 N/A TYR 52.A N SER 49.A O no hydrogen 3.071 N/A CYS 55.A N TYR 52.A O no hydrogen 2.842 N/A VAL 56.A N TYR 52.A O no hydrogen 2.909 N/A TYR 57.A N THR 53.A O no hydrogen 3.200 N/A HIS 58.A N CYS 55.A O no hydrogen 3.176 N/A HIS 58.A ND1 ALA 54.A O no hydrogen 2.475 N/A HIS 58.A NE2 ALA 119.A O no hydrogen 2.668 N/A LYS 59.A N ASP 122.A OD1 no hydrogen 2.986 N/A PHE 61.A N PRO 44.A O no hydrogen 2.659 N/A ASP 62.A N GLN 28.A OE1 no hydrogen 2.727 N/A SER 64.A N ASP 62.A OD1 no hydrogen 3.154 N/A SER 64.A OG ASP 62.A OD1 no hydrogen 2.748 N/A SER 64.A OG ASP 62.A OD2 no hydrogen 3.513 N/A ASP 65.A N ASP 62.A O no hydrogen 2.975 N/A SER 66.A N ALA 63.A O no hydrogen 3.064 N/A SER 66.A OG ASP 92.A OD1 no hydrogen 3.484 N/A SER 66.A OG ASP 92.A OD2 no hydrogen 2.465 N/A SER 67.A N THR 25.A O no hydrogen 2.899 N/A SER 68.A N SER 66.A OG no hydrogen 3.272 N/A SER 68.A OG THR 25.A OG1 no hydrogen 2.750 N/A SER 68.A OG SER 66.A OG no hydrogen 3.310 N/A SER 68.A OG ASP 92.A OD1 no hydrogen 2.596 N/A LYS 70.A N GLN 91.A O no hydrogen 2.861 N/A GLY 73.A N LEU 89.A O no hydrogen 2.967 N/A THR 74.A N ASN 72.A OD1 no hydrogen 2.935 N/A THR 74.A OG1 ASN 72.A OD1 no hydrogen 2.793 N/A LEU 76.A N GLY 87.A O no hydrogen 2.851 N/A LEU 78.A N VAL 85.A O no hydrogen 2.714 N/A TYR 80.A N GLY 83.A O no hydrogen 3.225 N/A THR 82.A OG1 LEU 114.A O no hydrogen 2.467 N/A GLY 83.A N TYR 80.A O no hydrogen 3.041 N/A VAL 85.A N LEU 78.A O no hydrogen 2.724 N/A SER 86.A N GLU 110.A O no hydrogen 2.955 N/A SER 86.A OG GLU 110.A OE1 no hydrogen 2.582 N/A GLY 87.A N LEU 76.A O no hydrogen 2.882 N/A PHE 88.A N GLU 107.A O no hydrogen 3.022 N/A LEU 89.A N THR 74.A O no hydrogen 2.735 N/A SER 90.A N PHE 105.A O no hydrogen 2.958 N/A SER 90.A OG GLU 107.A OE2 no hydrogen 2.650 N/A GLN 91.A N LYS 70.A O no hydrogen 3.076 N/A ASP 92.A N GLN 103.A O no hydrogen 3.061 N/A ILE 93.A N ASP 92.A OD1 no hydrogen 2.617 N/A ILE 94.A N VAL 101.A O no hydrogen 2.696 N/A THR 95.A N GLY 22.A O no hydrogen 2.693 N/A THR 95.A OG1 GLY 22.A O no hydrogen 3.219 N/A VAL 96.A N ILE 99.A O no hydrogen 2.890 N/A GLY 98.A N SER 5.A OG no hydrogen 2.697 N/A ILE 99.A N VAL 96.A O no hydrogen 2.837 N/A VAL 101.A N ILE 94.A O no hydrogen 2.905 N/A GLN 103.A N ASP 92.A O no hydrogen 2.851 N/A GLN 103.A NE2 MET 104.A O no hydrogen 3.035 N/A GLN 103.A NE2 THR 138.A O no hydrogen 2.884 N/A PHE 105.A N SER 90.A O no hydrogen 2.877 N/A GLY 106.A N VAL 41.A O no hydrogen 2.698 N/A GLU 107.A N PHE 88.A O no hydrogen 2.757 N/A VAL 108.A N VAL 43.A O no hydrogen 2.801 N/A THR 109.A N SER 86.A O no hydrogen 3.005 N/A THR 109.A OG1 SER 86.A O no hydrogen 3.462 N/A GLU 110.A N SER 86.A O no hydrogen 3.353 N/A MET 117.A N ALA 113.A O no hydrogen 2.846 N/A LEU 118.A N PRO 115.A O no hydrogen 2.899 N/A ALA 119.A N PHE 116.A O no hydrogen 3.240 N/A GLU 120.A N GLN 16.A OE1 no hydrogen 2.625 N/A ASP 122.A N LYS 31.A O no hydrogen 2.745 N/A GLY 123.A N LYS 31.A O no hydrogen 2.973 N/A VAL 124.A N.A TRP 42.A O no hydrogen 2.991 N/A VAL 124.A N.B TRP 42.A O no hydrogen 2.970 N/A VAL 125.A N VAL 33.A O no hydrogen 2.792 N/A GLY 126.A N ASN 40.A O no hydrogen 2.856 N/A MET 127.A N ASP 35.A O no hydrogen 2.703 N/A GLY 128.A N SER 38.A O no hydrogen 2.761 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.760 N/A GLN 132.A N PHE 129.A O no hydrogen 3.047 N/A GLN 132.A NE2 THR 302.A OG1 no hydrogen 2.972 N/A ALA 133.A N ILE 130.A O no hydrogen 3.005 N/A ILE 134.A N ASN 40.A OD1 no hydrogen 2.823 N/A ARG 136.A N ALA 133.A O no hydrogen 2.988 N/A VAL 137.A N ILE 134.A O no hydrogen 3.448 N/A ASN 143.A N PRO 139.A O no hydrogen 3.040 N/A ASN 143.A ND2 GLN 103.A OE1 no hydrogen 2.831 N/A ILE 144.A N ILE 140.A O no hydrogen 2.884 N/A ILE 145.A N PHE 141.A O no hydrogen 2.920 N/A SER 146.A N ASP 142.A O no hydrogen 2.875 N/A SER 146.A OG ASP 142.A O no hydrogen 3.295 N/A GLN 147.A N ILE 144.A O no hydrogen 2.930 N/A GLY 148.A N ILE 145.A O no hydrogen 3.002 N/A LYS 151.A N THR 3.A O no hydrogen 2.626 N/A PHE 155.A N PHE 320.A O no hydrogen 2.997 N/A SER 156.A N VAL 170.A O no hydrogen 2.727 N/A SER 156.A OG GLY 173.A O no hydrogen 2.746 N/A PHE 157.A N THR 318.A O no hydrogen 2.691 N/A TYR 158.A N GLN 168.A O no hydrogen 2.863 N/A TYR 158.A OH ARG 333.A O no hydrogen 3.329 N/A TYR 159.A OH THR 220.A O no hydrogen 2.608 N/A ASN 160.A N GLY 166.A O no hydrogen 2.958 N/A ASN 160.A ND2 LEU 165.A O no hydrogen 2.632 N/A ARG 161.A NH2 ARG 314.A O no hydrogen 3.504 N/A GLN 168.A N TYR 158.A O no hydrogen 2.705 N/A GLN 168.A NE2 ASP 175.A OD2 no hydrogen 3.537 N/A ILE 169.A N VAL 7.A O no hydrogen 2.878 N/A VAL 170.A N SER 156.A O no hydrogen 2.989 N/A LEU 171.A N SER 5.A O no hydrogen 2.623 N/A GLY 172.A N VAL 154.A O no hydrogen 2.778 N/A SER 174.A OG TYR 179.A OH no hydrogen 3.192 N/A ASP 175.A N TYR 317.A OH no hydrogen 2.813 N/A GLN 177.A N ASP 175.A OD1 no hydrogen 2.888 N/A HIS 178.A N ASP 175.A O no hydrogen 2.963 N/A TYR 179.A OH SER 174.A OG no hydrogen 3.192 N/A GLU 180.A N LEU 331.A O no hydrogen 2.767 N/A HIS 184.A N PHE 329.A O no hydrogen 3.000 N/A TYR 185.A OH GLU 319.A OE1 no hydrogen 3.094 N/A ILE 186.A N ILE 327.A O no hydrogen 2.838 N/A LEU 188.A N ASN 325.A O no hydrogen 2.991 N/A ILE 189.A N GLN 195.A O no hydrogen 3.056 N/A THR 191.A OG1 ASN 325.A OD1 no hydrogen 2.913 N/A TRP 194.A NE1 MET 127.A O no hydrogen 2.902 N/A GLN 195.A N VAL 193.A O no hydrogen 2.865 N/A ILE 196.A N ALA 216.A O no hydrogen 2.722 N/A GLN 197.A NE2 MET 198.A O no hydrogen 3.250 N/A MET 198.A N CYS 214.A O no hydrogen 2.882 N/A LYS 199.A N HIS 264.A O no hydrogen 2.973 N/A LYS 199.A NZ GLY 266.A O no hydrogen 2.516 N/A VAL 201.A N LEU 209.A O no hydrogen 2.981 N/A SER 202.A N SER 262.A O no hydrogen 2.860 N/A SER 202.A OG THR 207.A OG1 no hydrogen 3.279 N/A VAL 203.A N SER 206.A O no hydrogen 2.887 N/A GLY 204.A N ASP 260.A O no hydrogen 2.754 N/A SER 206.A N VAL 203.A O no hydrogen 3.269 N/A SER 206.A OG VAL 203.A O no hydrogen 3.094 N/A THR 207.A OG1 SER 202.A OG no hydrogen 3.279 N/A LEU 209.A N VAL 201.A O no hydrogen 2.917 N/A CYS 210.A SG MET 198.A O no hydrogen 3.422 N/A CYS 210.A SG CYS 210.A O no hydrogen 2.852 N/A GLY 213.A N CYS 210.A O no hydrogen 2.817 N/A CYS 214.A N MET 198.A O no hydrogen 2.886 N/A CYS 214.A SG MET 198.A O no hydrogen 3.838 N/A ALA 216.A N ILE 196.A O no hydrogen 2.891 N/A LEU 217.A N TRP 306.A O no hydrogen 2.828 N/A VAL 218.A N TRP 194.A O no hydrogen 2.844 N/A ASP 219.A N LEU 308.A O no hydrogen 2.957 N/A THR 220.A N THR 36.A OG1 no hydrogen 2.919 N/A THR 220.A OG1 PHE 34.A O no hydrogen 2.585 N/A THR 220.A OG1 THR 36.A OG1 no hydrogen 3.340 N/A GLY 221.A N ASP 219.A OD1 no hydrogen 3.287 N/A ALA 222.A N ASP 219.A O no hydrogen 3.004 N/A SER 223.A OG THR 15.A O no hydrogen 2.544 N/A ILE 225.A N ALA 292.A O no hydrogen 3.249 N/A SER 226.A N ALA 307.A O no hydrogen 2.821 N/A GLY 227.A N HIS 294.A O no hydrogen 3.325 N/A SER 228.A OG SER 230.A OG no hydrogen 3.353 N/A THR 229.A N ASP 297.A OD1 no hydrogen 2.863 N/A THR 229.A OG1 ASP 297.A OD1 no hydrogen 3.521 N/A THR 229.A OG1 ASP 297.A OD2 no hydrogen 2.698 N/A SER 230.A OG SER 228.A OG no hydrogen 3.353 N/A SER 231.A N SER 228.A OG no hydrogen 3.091 N/A SER 231.A OG SER 228.A OG no hydrogen 3.152 N/A ILE 232.A N SER 228.A O no hydrogen 3.060 N/A GLU 233.A N THR 229.A O no hydrogen 2.879 N/A LYS 234.A N SER 230.A O no hydrogen 3.394 N/A LEU 235.A N SER 231.A O no hydrogen 2.911 N/A MET 236.A N ILE 232.A O no hydrogen 2.868 N/A GLU 237.A N GLU 233.A O no hydrogen 2.938 N/A ALA 238.A N LYS 234.A O no hydrogen 2.903 N/A GLY 240.A N GLU 237.A O no hydrogen 3.133 N/A ALA 241.A N MET 236.A O no hydrogen 2.761 N/A LYS 242.A N VAL 249.A O no hydrogen 2.655 N/A LYS 243.A NZ ARG 244.A O no hydrogen 3.219 N/A ARG 244.A N ASP 247.A O no hydrogen 2.814 N/A VAL 249.A N LYS 242.A O no hydrogen 2.813 N/A VAL 250.A N CYS 289.A O no hydrogen 2.973 N/A LYS 251.A N GLU 254.A OE2 no hydrogen 3.116 N/A LYS 251.A NZ ASN 253.A OD1 no hydrogen 2.674 N/A CYS 252.A N LYS 287.A O no hydrogen 2.909 N/A CYS 252.A SG LYS 287.A O no hydrogen 3.302 N/A GLU 254.A N LYS 251.A O no hydrogen 2.954 N/A GLY 255.A N CYS 252.A O no hydrogen 3.140 N/A THR 257.A N GLU 254.A O no hydrogen 3.195 N/A THR 257.A OG1 GLU 254.A O no hydrogen 2.807 N/A LEU 258.A N GLY 255.A O no hydrogen 3.028 N/A ILE 261.A N LEU 272.A O no hydrogen 2.810 N/A SER 262.A N SER 202.A O no hydrogen 2.824 N/A SER 262.A OG THR 271.A OG1 no hydrogen 2.395 N/A PHE 263.A N TYR 270.A O no hydrogen 2.684 N/A HIS 264.A N GLY 200.A O no hydrogen 2.905 N/A LEU 265.A N LYS 268.A O no hydrogen 2.897 N/A LYS 268.A N LEU 265.A O no hydrogen 3.128 N/A LYS 268.A NZ GLU 269.A O no hydrogen 3.350 N/A TYR 270.A N PHE 263.A O no hydrogen 2.647 N/A THR 271.A OG1 SER 262.A OG no hydrogen 2.395 N/A LEU 272.A N ILE 261.A O no hydrogen 2.769 N/A THR 273.A N ASP 276.A OD2 no hydrogen 2.976 N/A THR 273.A OG1 ASP 276.A OD2 no hydrogen 3.366 N/A SER 274.A OG GLY 255.A O no hydrogen 3.225 N/A ASP 276.A N THR 273.A O no hydrogen 2.599 N/A TYR 277.A N SER 274.A O no hydrogen 2.977 N/A TYR 277.A OH PRO 259.A O no hydrogen 2.503 N/A VAL 278.A N SER 274.A O no hydrogen 2.840 N/A PHE 279.A N THR 290.A O no hydrogen 2.631 N/A GLN 280.A NE2 CYS 252.A O no hydrogen 2.717 N/A GLN 280.A NE2 SER 282.A O no hydrogen 2.798 N/A GLU 281.A N PHE 279.A O no hydrogen 3.007 N/A SER 284.A N SER 282.A OG no hydrogen 2.786 N/A LYS 286.A N SER 284.A OG no hydrogen 2.726 N/A LYS 287.A N SER 284.A O no hydrogen 3.465 N/A CYS 289.A N VAL 250.A O no hydrogen 2.685 N/A CYS 289.A SG PHE 279.A O no hydrogen 3.389 N/A CYS 289.A SG SER 282.A O no hydrogen 3.686 N/A THR 290.A OG1 ASP 247.A OD2 no hydrogen 2.889 N/A LEU 291.A N TYR 248.A O no hydrogen 3.105 N/A ALA 292.A N TYR 277.A O no hydrogen 2.706 N/A HIS 294.A N ILE 225.A O no hydrogen 3.022 N/A MET 296.A N GLY 227.A O no hydrogen 2.780 N/A GLY 303.A N PRO 299.A O no hydrogen 2.892 N/A THR 305.A OG1 GLN 195.A OE1 no hydrogen 3.090 N/A THR 305.A OG1 TRP 306.A O no hydrogen 2.759 N/A TRP 306.A N LEU 215.A O no hydrogen 2.953 N/A ALA 307.A N SER 226.A O no hydrogen 2.745 N/A LEU 308.A N LEU 217.A O no hydrogen 2.724 N/A ALA 310.A N ALA 222.A O no hydrogen 2.864 N/A THR 311.A N SER 223.A O no hydrogen 3.228 N/A THR 311.A OG1 SER 223.A O no hydrogen 3.369 N/A THR 311.A OG1 ALA 292.A O no hydrogen 2.935 N/A PHE 312.A N GLY 309.A O no hydrogen 2.957 N/A ILE 313.A N GLY 309.A O no hydrogen 2.932 N/A ARG 314.A N ALA 310.A O no hydrogen 2.709 N/A ARG 314.A NH1 ASP 14.A O no hydrogen 2.776 N/A ARG 314.A NH1 TYR 17.A OH no hydrogen 2.949 N/A LYS 315.A N PHE 312.A O no hydrogen 3.024 N/A LYS 315.A NZ THR 271.A O no hydrogen 3.020 N/A LYS 315.A NZ ASP 276.A OD2 no hydrogen 2.616 N/A PHE 316.A N PHE 312.A O no hydrogen 3.058 N/A THR 318.A N PHE 157.A O no hydrogen 3.162 N/A THR 318.A OG1 PHE 316.A O no hydrogen 2.935 N/A GLU 319.A N GLY 328.A O no hydrogen 2.721 N/A PHE 320.A N PHE 155.A O no hydrogen 2.875 N/A ASP 321.A N ARG 326.A O no hydrogen 2.908 N/A ARG 322.A N ASP 153.A O no hydrogen 2.827 N/A ARG 322.A NH1 ASP 142.A OD1 no hydrogen 2.818 N/A ARG 322.A NH2 ASP 142.A OD1 no hydrogen 3.270 N/A ARG 323.A N ASP 153.A O no hydrogen 3.328 N/A ASN 324.A N ASP 321.A OD1 no hydrogen 2.960 N/A ARG 326.A N ASP 321.A O no hydrogen 3.163 N/A ARG 326.A NE ASP 321.A OD2 no hydrogen 2.827 N/A ARG 326.A NH2 ASP 321.A OD2 no hydrogen 3.392 N/A ILE 327.A N ILE 186.A O no hydrogen 2.890 N/A GLY 328.A N GLU 319.A O no hydrogen 2.748 N/A PHE 329.A N HIS 184.A O no hydrogen 2.880 N/A ALA 330.A N TYR 317.A O no hydrogen 2.834 N/A ALA 332.A N LYS 315.A O no hydrogen 2.862 N/A ARG 333.A N HIS 178.A O no hydrogen 2.834 N/A ARG 333.A NE GLN 177.A O no hydrogen 3.412 N/A ARG 333.A NH2 PRO 176.A O no hydrogen 3.098 N/A