Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1h3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 1.A N GLY 51.A O no hydrogen 2.927 N/A TYR 11.A N GLN 18.A O no hydrogen 2.986 N/A VAL 13.A N ALA 16.A O no hydrogen 2.940 N/A ALA 16.A N VAL 13.A O no hydrogen 3.002 N/A GLN 18.A N TYR 11.A O no hydrogen 2.824 N/A GLN 18.A NE2 ALA 16.A O no hydrogen 3.241 N/A GLN 18.A NE2 ASP 37.A OD2 no hydrogen 3.299 N/A GLY 19.A N TYR 35.A O no hydrogen 2.730 N/A GLN 20.A N GLU 9.A O no hydrogen 3.088 N/A GLN 20.A NE2 THR 34.A OG1 no hydrogen 2.835 N/A GLY 21.A N GLY 33.A O no hydrogen 3.023 N/A TYR 23.A N LEU 31.A O no hydrogen 2.848 N/A TYR 25.A N GLY 29.A O no hydrogen 2.629 N/A TYR 25.A OH GLU 46.A OE2 no hydrogen 3.192 N/A TYR 25.A OH TYR 59.A OH no hydrogen 3.332 N/A GLY 28.A N TYR 25.A O no hydrogen 3.064 N/A GLY 29.A N ASP 27.A OD1 no hydrogen 2.734 N/A VAL 30.A N TYR 47.A O no hydrogen 2.790 N/A LEU 31.A N TYR 23.A O no hydrogen 2.687 N/A GLN 32.A N GLN 45.A O no hydrogen 2.741 N/A GLN 32.A NE2 SER 6.A O no hydrogen 2.927 N/A GLY 33.A N GLY 21.A O no hydrogen 2.924 N/A THR 34.A OG1 PRO 43.A O no hydrogen 2.675 N/A TYR 35.A N GLY 19.A O no hydrogen 2.663 N/A VAL 36.A N GLU 39.A O no hydrogen 2.913 N/A ASP 37.A N GLN 18.A OE1 no hydrogen 2.998 N/A GLY 38.A N LEU 17.A O no hydrogen 2.742 N/A GLU 39.A N VAL 36.A O no hydrogen 3.100 N/A LEU 40.A N ASN 62.A OD1 no hydrogen 2.751 N/A ASN 41.A N THR 34.A O no hydrogen 2.916 N/A ASN 41.A ND2 VAL 36.A O no hydrogen 3.333 N/A ASN 41.A ND2 GLU 39.A O no hydrogen 3.224 N/A GLY 42.A N TYR 59.A O no hydrogen 2.830 N/A ALA 44.A N GLY 57.A O no hydrogen 2.855 N/A GLN 45.A N GLN 32.A O no hydrogen 2.845 N/A GLU 46.A N PHE 55.A O no hydrogen 2.877 N/A TYR 47.A N VAL 30.A O no hydrogen 2.797 N/A ASP 48.A N ARG 52.A O no hydrogen 2.959 N/A ILE 54.A N GLU 46.A O no hydrogen 2.797 N/A PHE 55.A N GLU 46.A O no hydrogen 3.244 N/A LYS 56.A N TRP 69.A O no hydrogen 3.011 N/A GLY 57.A N ALA 44.A O no hydrogen 2.942 N/A GLN 58.A NE2 VAL 67.A O no hydrogen 2.850 N/A TYR 59.A N GLY 42.A O no hydrogen 2.803 N/A TYR 59.A OH GLU 46.A OE2 no hydrogen 2.662 N/A LYS 60.A N ILE 63.A O no hydrogen 2.603 N/A ASP 61.A N ASN 41.A OD1 no hydrogen 2.750 N/A ASN 62.A N LEU 40.A O no hydrogen 2.889 N/A ILE 63.A N LYS 60.A O no hydrogen 2.969 N/A ARG 64.A NH1 GLU 46.A OE2 no hydrogen 3.154 N/A HIS 65.A N GLN 58.A O no hydrogen 2.978 N/A CYS 68.A N GLY 80.A O no hydrogen 3.041 N/A CYS 68.A SG GLY 66.A O no hydrogen 3.672 N/A TRP 69.A N LYS 56.A O no hydrogen 2.714 N/A ILE 70.A N LEU 78.A O no hydrogen 2.777 N/A TYR 71.A N ILE 54.A O no hydrogen 3.011 N/A TYR 72.A N GLY 76.A O no hydrogen 2.965 N/A GLY 75.A N TYR 72.A O no hydrogen 3.107 N/A GLY 76.A N ASP 74.A OD1 no hydrogen 2.922 N/A SER 77.A N VAL 96.A O no hydrogen 2.908 N/A LEU 78.A N ILE 70.A O no hydrogen 2.882 N/A VAL 79.A N ALA 94.A O no hydrogen 2.781 N/A GLY 80.A N CYS 68.A O no hydrogen 3.243 N/A VAL 82.A N GLY 66.A O no hydrogen 2.932 N/A ASN 83.A N GLU 87.A O no hydrogen 2.721 N/A GLU 84.A N ASN 83.A OD1 no hydrogen 2.952 N/A GLY 86.A N ASN 83.A O no hydrogen 2.993 N/A GLY 90.A N PHE 108.A O no hydrogen 3.094 N/A ILE 93.A N GLY 106.A O no hydrogen 3.067 N/A ALA 94.A N VAL 79.A O no hydrogen 2.812 N/A TYR 95.A N LEU 104.A O no hydrogen 2.955 N/A VAL 96.A N SER 77.A O no hydrogen 2.672 N/A TYR 97.A N THR 102.A O no hydrogen 2.850 N/A TYR 97.A OH ASP 158.A OD2 no hydrogen 2.538 N/A GLU 100.A N TYR 97.A O no hydrogen 2.902 N/A ARG 101.A N ASP 99.A OD1 no hydrogen 2.893 N/A THR 102.A N ASP 99.A OD1 no hydrogen 2.867 N/A THR 102.A N ASP 99.A OD2 no hydrogen 3.431 N/A THR 102.A OG1 ASP 99.A OD1 no hydrogen 3.388 N/A THR 102.A OG1 ASP 99.A OD2 no hydrogen 2.465 N/A ALA 103.A N ALA 119.A O no hydrogen 2.899 N/A LEU 104.A N TYR 95.A O no hydrogen 2.792 N/A TYR 105.A N LYS 117.A O no hydrogen 2.782 N/A GLY 106.A N ILE 93.A O no hydrogen 2.715 N/A LYS 107.A N GLU 115.A O no hydrogen 2.906 N/A PHE 108.A N GLY 90.A O no hydrogen 3.071 N/A ILE 109.A N GLU 112.A O no hydrogen 2.789 N/A ASP 110.A N THR 89.A OG1 no hydrogen 2.592 N/A GLY 111.A N MET 88.A O no hydrogen 2.810 N/A GLU 112.A N ILE 109.A O no hydrogen 2.921 N/A ILE 114.A N LYS 107.A O no hydrogen 2.782 N/A GLU 115.A N LYS 107.A O no hydrogen 3.121 N/A GLY 116.A N TYR 140.A O no hydrogen 2.885 N/A LYS 117.A N TYR 105.A O no hydrogen 2.772 N/A LEU 118.A N SER 138.A O no hydrogen 3.160 N/A ALA 119.A N ALA 103.A O no hydrogen 2.912 N/A THR 120.A N GLU 132.A O no hydrogen 2.928 N/A LEU 121.A N ARG 101.A O no hydrogen 2.683 N/A MET 122.A N HIS 130.A O no hydrogen 2.717 N/A GLY 127.A N THR 124.A O no hydrogen 3.331 N/A HIS 130.A N SER 123.A O no hydrogen 2.586 N/A GLU 132.A N THR 120.A O no hydrogen 3.041 N/A MET 134.A N LEU 118.A O no hydrogen 2.926 N/A TYR 140.A N GLY 116.A O no hydrogen 2.846 N/A PHE 142.A N MET 113.A O no hydrogen 2.823 N/A ASP 143.A N ARG 261.A O no hydrogen 2.740 N/A SER 145.A OG GLY 196.A O no hydrogen 2.529 N/A THR 146.A N CYS 149.A O no hydrogen 3.039 N/A SER 148.A N THR 146.A OG1 no hydrogen 3.398 N/A CYS 149.A N THR 146.A OG1 no hydrogen 2.919 N/A SER 151.A OG ASP 143.A OD1 no hydrogen 3.365 N/A THR 152.A N ASP 143.A OD1 no hydrogen 2.732 N/A THR 152.A OG1 ASP 143.A OD2 no hydrogen 2.939 N/A ASN 153.A N SER 151.A OG no hydrogen 2.882 N/A LEU 156.A N ASN 153.A O no hydrogen 2.977 N/A ASP 158.A N ALA 238.A O no hydrogen 3.027 N/A TYR 160.A OH VAL 190.A O no hydrogen 2.684 N/A GLU 161.A N ASP 158.A OD1 no hydrogen 2.825 N/A SER 162.A N ASP 158.A O no hydrogen 2.976 N/A ARG 164.A N GLU 161.A O no hydrogen 2.850 N/A VAL 165.A N GLU 161.A O no hydrogen 2.930 N/A TYR 166.A N PHE 180.A O no hydrogen 2.854 N/A TYR 166.A OH ASP 277.A OD2 no hydrogen 2.499 N/A ALA 168.A N GLY 178.A O no hydrogen 3.076 N/A SER 170.A N GLY 176.A O no hydrogen 2.846 N/A SER 170.A OG GLY 176.A O no hydrogen 2.967 N/A ALA 175.A N SER 173.A OG no hydrogen 3.066 N/A GLY 178.A N ALA 168.A O no hydrogen 2.599 N/A PHE 180.A N TYR 166.A O no hydrogen 2.821 N/A SER 181.A N GLU 278.A O no hydrogen 2.983 N/A SER 181.A OG GLU 275.A O no hydrogen 2.556 N/A SER 181.A OG GLU 278.A O no hydrogen 2.943 N/A LYS 182.A N ARG 164.A O no hydrogen 2.509 N/A LYS 182.A NZ SER 162.A O no hydrogen 2.599 N/A VAL 185.A N VAL 274.A O no hydrogen 2.800 N/A ASN 188.A N THR 270.A O no hydrogen 2.981 N/A THR 189.A N THR 270.A OG1 no hydrogen 2.859 N/A THR 189.A OG1 GLY 186.A O no hydrogen 2.644 N/A THR 189.A OG1 PRO 187.A O no hydrogen 3.516 N/A MET 191.A N ILE 268.A O no hydrogen 2.818 N/A SER 192.A OG GLU 161.A OE2 no hydrogen 2.244 N/A PHE 193.A N GLU 161.A OE2 no hydrogen 2.778 N/A TYR 194.A N LYS 266.A O no hydrogen 2.764 N/A TYR 194.A OH ASN 214.A O no hydrogen 3.013 N/A ASN 195.A N SER 239.A OG no hydrogen 3.283 N/A ASN 195.A ND2 ILE 150.A O no hydrogen 3.170 N/A ASN 195.A ND2 TYR 236.A OH no hydrogen 3.026 N/A VAL 197.A N ASP 225.A O no hydrogen 2.723 N/A ARG 198.A N THR 146.A O no hydrogen 2.945 N/A ARG 198.A NE SER 145.A OG no hydrogen 3.023 N/A ARG 198.A NH1 PRO 264.A O no hydrogen 3.320 N/A ARG 198.A NH2 PHE 262.A O no hydrogen 3.416 N/A ARG 198.A NH2 PRO 264.A O no hydrogen 2.597 N/A ILE 199.A N VAL 223.A O no hydrogen 2.843 N/A THR 200.A N GLU 203.A OE2 no hydrogen 3.031 N/A HIS 201.A NE2 ASP 219.A O no hydrogen 2.821 N/A VAL 204.A N THR 200.A O no hydrogen 3.054 N/A ASP 205.A N HIS 201.A O no hydrogen 2.786 N/A SER 206.A N GLN 202.A O no hydrogen 3.154 N/A SER 206.A OG GLN 202.A O no hydrogen 2.827 N/A SER 206.A OG GLU 203.A O no hydrogen 3.355 N/A ARG 207.A NE ASN 212.A OD1 no hydrogen 2.698 N/A ARG 207.A NH2 ASN 212.A OD1 no hydrogen 3.089 N/A ARG 207.A NH2 ASP 225.A OD2 no hydrogen 2.764 N/A ALA 210.A N ASP 208.A OD1 no hydrogen 3.187 N/A LEU 211.A N ASP 208.A O no hydrogen 2.990 N/A ASN 212.A N TRP 209.A O no hydrogen 2.785 N/A ASN 212.A ND2 VAL 204.A O no hydrogen 2.961 N/A ASN 214.A ND2 VAL 226.A O no hydrogen 3.273 N/A LEU 216.A N ILE 224.A O no hydrogen 2.778 N/A SER 217.A N ASP 287.A OD2 no hydrogen 3.081 N/A SER 217.A OG ASP 287.A OD2 no hydrogen 3.094 N/A LEU 218.A N THR 222.A O no hydrogen 2.786 N/A ASP 219.A N THR 222.A O no hydrogen 3.366 N/A GLU 221.A N ASP 219.A OD1 no hydrogen 2.809 N/A THR 222.A N ASP 219.A OD1 no hydrogen 2.717 N/A THR 222.A OG1 ILE 199.A O no hydrogen 3.510 N/A VAL 223.A N ILE 199.A O no hydrogen 2.707 N/A ILE 224.A N LEU 216.A O no hydrogen 2.635 N/A ASP 225.A N VAL 197.A O no hydrogen 2.928 N/A VAL 226.A N ASN 214.A O no hydrogen 3.324 N/A ASN 231.A N PRO 227.A O no hydrogen 3.213 N/A ASN 231.A ND2 GLU 228.A OE1 no hydrogen 3.015 N/A HIS 232.A N PRO 229.A O no hydrogen 2.928 N/A HIS 232.A NE2 GLU 228.A OE1 no hydrogen 2.966 N/A LYS 235.A N HIS 232.A O no hydrogen 2.790 N/A TYR 236.A N HIS 232.A O no hydrogen 3.034 N/A TYR 236.A OH SER 239.A OG no hydrogen 2.588 N/A CYS 237.A N ALA 154.A O no hydrogen 2.891 N/A SER 239.A OG TYR 236.A OH no hydrogen 2.588 N/A LEU 240.A N GLU 161.A OE2 no hydrogen 2.973 N/A GLY 241.A N PHE 193.A O no hydrogen 2.894 N/A LYS 243.A N LEU 240.A O no hydrogen 2.861 N/A LYS 243.A NZ GLU 177.A OE1 no hydrogen 2.761 N/A LYS 243.A NZ ASN 231.A O no hydrogen 2.679 N/A ALA 244.A N GLY 241.A O no hydrogen 3.294 N/A ASN 245.A ND2 GLU 177.A O no hydrogen 2.969 N/A ASN 245.A ND2 GLU 279.A OE2 no hydrogen 3.114 N/A SER 247.A N VAL 282.A O no hydrogen 2.854 N/A THR 249.A N SER 247.A OG no hydrogen 2.868 N/A THR 249.A OG1 SER 247.A OG no hydrogen 3.405 N/A ASN 251.A N THR 281.A O no hydrogen 3.232 N/A ASN 251.A N THR 281.A OG1 no hydrogen 3.339 N/A ASN 251.A ND2 GLU 278.A OE2 no hydrogen 3.209 N/A ASN 251.A ND2 GLU 279.A O no hydrogen 2.914 N/A CYS 252.A N THR 281.A O no hydrogen 2.952 N/A CYS 252.A SG ASN 251.A OD1 no hydrogen 3.588 N/A ILE 253.A N ARG 269.A O no hydrogen 2.748 N/A TYR 254.A OH HIS 246.A NE2 no hydrogen 3.235 N/A ASP 255.A N CYS 267.A O no hydrogen 2.998 N/A PHE 257.A N ILE 265.A O no hydrogen 2.906 N/A VAL 258.A N ASP 74.A OD2 no hydrogen 2.703 N/A HIS 259.A N GLY 263.A O no hydrogen 3.096 N/A HIS 259.A NE2 ASP 158.A OD2 no hydrogen 2.724 N/A ARG 261.A N HIS 259.A ND1 no hydrogen 3.133 N/A ARG 261.A NH1 LEU 156.A O no hydrogen 2.805 N/A ARG 261.A NH2 LEU 156.A O no hydrogen 2.968 N/A PHE 262.A N HIS 259.A ND1 no hydrogen 3.115 N/A GLY 263.A N HIS 259.A O no hydrogen 2.823 N/A ILE 265.A N PHE 257.A O no hydrogen 2.996 N/A LYS 266.A NZ SER 217.A O no hydrogen 2.886 N/A CYS 267.A N ASP 255.A O no hydrogen 2.743 N/A CYS 267.A SG ASP 255.A O no hydrogen 3.594 N/A ILE 268.A N SER 192.A O no hydrogen 2.743 N/A ARG 269.A N ILE 253.A O no hydrogen 2.961 N/A ARG 269.A NE ASP 255.A OD1 no hydrogen 3.235 N/A ARG 269.A NH1 ASN 188.A O no hydrogen 2.977 N/A ARG 269.A NH1 ASN 188.A OD1 no hydrogen 2.852 N/A ARG 269.A NH2 ASP 74.A O no hydrogen 2.958 N/A THR 270.A N THR 189.A O no hydrogen 2.830 N/A THR 270.A OG1 GLY 186.A O no hydrogen 2.844 N/A THR 270.A OG1 THR 189.A O no hydrogen 3.515 N/A LEU 271.A N ASN 251.A O no hydrogen 2.784 N/A VAL 274.A N VAL 185.A O no hydrogen 2.619 N/A GLU 275.A N GLU 278.A OE1 no hydrogen 2.613 N/A ASP 277.A N SER 181.A O no hydrogen 2.706 N/A GLU 278.A N SER 181.A OG no hydrogen 3.121 N/A GLU 278.A N GLU 275.A O no hydrogen 3.228 N/A LEU 280.A N LEU 179.A O no hydrogen 2.728 N/A THR 281.A N ASN 251.A OD1 no hydrogen 2.924 N/A THR 281.A OG1 ASN 251.A OD1 no hydrogen 3.564 N/A VAL 282.A N ASN 245.A O no hydrogen 2.912 N/A TYR 284.A N SER 247.A O no hydrogen 3.279 N/A GLY 285.A N HIS 288.A O no hydrogen 3.040 N/A HIS 288.A N GLY 285.A O no hydrogen 2.919 N/A