Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3thj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLU 39.A O no hydrogen 3.403 N/A THR 2.A OG1 GLY 86.A O no hydrogen 3.064 N/A ILE 3.A N ASP 41.A O no hydrogen 2.803 N/A GLY 4.A N ILE 88.A O no hydrogen 2.852 N/A ILE 5.A N LYS 43.A O no hydrogen 2.876 N/A ILE 6.A N LEU 90.A O no hydrogen 2.904 N/A GLY 7.A N GLY 46.A O no hydrogen 2.893 N/A ALA 8.A N LEU 92.A O no hydrogen 2.815 N/A PHE 10.A N ALA 8.A O no hydrogen 2.806 N/A GLY 13.A N ASP 95.A OD2 no hydrogen 2.930 N/A GLN 14.A N SER 11.A O no hydrogen 3.078 N/A GLN 14.A NE2 SER 11.A O no hydrogen 2.785 N/A GLN 14.A NE2 ARG 16.A O no hydrogen 2.497 N/A ARG 16.A N GLN 14.A OE1 no hydrogen 3.204 N/A GLU 20.A N GLY 17.A O no hydrogen 3.332 N/A GLU 21.A N GLY 18.A O no hydrogen 3.071 N/A GLY 22.A N VAL 19.A O no hydrogen 3.069 N/A VAL 25.A N GLU 21.A O no hydrogen 3.083 N/A LEU 26.A N GLY 22.A O no hydrogen 3.095 N/A ARG 27.A N PRO 23.A O no hydrogen 3.041 N/A ARG 27.A NE ASP 44.A OD2 no hydrogen 2.824 N/A ARG 27.A NH2 ASP 44.A OD1 no hydrogen 2.775 N/A ARG 27.A NH2 ASP 44.A OD2 no hydrogen 3.060 N/A LYS 28.A N THR 24.A O no hydrogen 2.907 N/A ALA 29.A N VAL 25.A O no hydrogen 3.059 N/A GLY 30.A N ARG 27.A O no hydrogen 2.771 N/A LEU 31.A N LEU 26.A O no hydrogen 3.365 N/A LYS 34.A N GLY 30.A O no hydrogen 2.920 N/A LYS 34.A NZ ALA 29.A O no hydrogen 3.249 N/A LEU 35.A N LEU 31.A O no hydrogen 2.945 N/A LYS 36.A N LEU 32.A O no hydrogen 2.904 N/A GLU 37.A N GLU 33.A O no hydrogen 2.783 N/A GLN 38.A N LEU 35.A O no hydrogen 2.891 N/A CYS 40.A SG PHE 299.A O no hydrogen 3.878 N/A ASP 41.A N ARG 1.A O no hydrogen 3.129 N/A LYS 43.A N ILE 3.A O no hydrogen 3.065 N/A TYR 45.A N ILE 5.A O no hydrogen 2.707 N/A GLY 46.A N ASP 44.A OD1 no hydrogen 2.523 N/A LEU 48.A N GLY 7.A O no hydrogen 2.847 N/A PHE 59.A N VAL 62.A O no hydrogen 2.883 N/A VAL 62.A N PHE 59.A O no hydrogen 2.825 N/A LYS 63.A N GLY 133.A O no hydrogen 2.908 N/A LYS 63.A NZ SER 132.A O no hydrogen 2.716 N/A LYS 63.A NZ ASN 134.A OD1 no hydrogen 2.893 N/A ASN 64.A ND2 LYS 12.A O no hydrogen 2.812 N/A ARG 66.A N ASP 56.A OD1 no hydrogen 2.928 N/A ARG 66.A NH1 ASP 56.A OD1 no hydrogen 2.741 N/A ARG 66.A NH1 SER 57.A O no hydrogen 2.942 N/A SER 67.A N ASP 56.A OD2 no hydrogen 2.834 N/A SER 67.A OG ASP 56.A OD2 no hydrogen 2.687 N/A VAL 68.A N ASN 64.A O no hydrogen 2.987 N/A GLY 69.A N PRO 65.A O no hydrogen 2.791 N/A LYS 70.A N ARG 66.A O no hydrogen 2.914 N/A LYS 70.A NZ GLU 73.A OE1 no hydrogen 2.895 N/A ALA 71.A N SER 67.A O no hydrogen 3.076 N/A SER 72.A N VAL 68.A O no hydrogen 3.147 N/A SER 72.A OG SER 97.A O no hydrogen 3.355 N/A GLU 73.A N GLY 69.A O no hydrogen 3.080 N/A GLN 74.A N LYS 70.A O no hydrogen 2.876 N/A LEU 75.A N ALA 71.A O no hydrogen 2.903 N/A ALA 76.A N SER 72.A O no hydrogen 2.747 N/A GLY 77.A N GLU 73.A O no hydrogen 3.334 N/A LYS 78.A N GLN 74.A O no hydrogen 3.229 N/A LYS 78.A NZ GLU 81.A OE1 no hydrogen 3.015 N/A VAL 79.A N LEU 75.A O no hydrogen 2.894 N/A ALA 80.A N ALA 76.A O no hydrogen 3.071 N/A GLU 81.A N GLY 77.A O no hydrogen 3.157 N/A VAL 82.A N LYS 78.A O no hydrogen 2.978 N/A LYS 83.A N VAL 79.A O no hydrogen 2.915 N/A LYS 83.A NZ ARG 87.A O no hydrogen 3.103 N/A LYS 83.A NZ SER 266.A O no hydrogen 3.053 N/A LYS 84.A N ALA 80.A O no hydrogen 2.924 N/A ASN 85.A N VAL 82.A O no hydrogen 2.953 N/A GLY 86.A N LYS 83.A O no hydrogen 2.993 N/A ARG 87.A N VAL 82.A O no hydrogen 3.306 N/A ARG 87.A NH1 ILE 3.A O no hydrogen 2.862 N/A ARG 87.A NH1 ASP 41.A O no hydrogen 2.972 N/A ARG 87.A NH1 ASP 41.A OD1 no hydrogen 2.943 N/A ARG 87.A NH2 ASP 41.A OD1 no hydrogen 2.697 N/A ILE 88.A N THR 2.A O no hydrogen 2.817 N/A LEU 90.A N GLY 4.A O no hydrogen 2.814 N/A VAL 91.A N LEU 268.A O no hydrogen 2.800 N/A LEU 92.A N ILE 6.A O no hydrogen 2.928 N/A GLY 93.A N ILE 270.A O no hydrogen 2.984 N/A ASP 95.A N PHE 10.A O no hydrogen 3.016 N/A HIS 96.A N GLU 272.A OE2 no hydrogen 2.758 N/A HIS 96.A NE2 SER 225.A OG no hydrogen 2.716 N/A SER 97.A N ASP 95.A OD1 no hydrogen 2.857 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 2.541 N/A LEU 98.A N ASP 95.A O no hydrogen 3.350 N/A ALA 99.A N HIS 96.A O no hydrogen 3.026 N/A ILE 100.A N SER 97.A O no hydrogen 3.086 N/A GLY 101.A N SER 72.A OG no hydrogen 3.176 N/A SER 102.A N LEU 98.A O no hydrogen 3.028 N/A SER 102.A OG ASP 269.A OD1 no hydrogen 2.726 N/A ILE 103.A N ALA 99.A O no hydrogen 2.904 N/A SER 104.A N ILE 100.A O no hydrogen 3.123 N/A SER 104.A OG ILE 100.A O no hydrogen 2.497 N/A GLY 105.A N GLY 101.A O no hydrogen 2.815 N/A HIS 106.A N SER 102.A O no hydrogen 3.078 N/A HIS 106.A ND1 HIS 223.A ND1 no hydrogen 2.813 N/A HIS 106.A NE2 SER 266.A OG no hydrogen 2.704 N/A ALA 107.A N ILE 103.A O no hydrogen 2.905 N/A ARG 108.A N SER 104.A O no hydrogen 3.209 N/A VAL 109.A N HIS 106.A O no hydrogen 3.192 N/A HIS 110.A N HIS 106.A O no hydrogen 2.941 N/A LEU 113.A N HIS 110.A O no hydrogen 3.150 N/A GLY 114.A N PRO 221.A O no hydrogen 2.818 N/A VAL 115.A N ASP 168.A O no hydrogen 2.750 N/A ILE 116.A N HIS 223.A O no hydrogen 2.874 N/A TRP 117.A N VAL 170.A O no hydrogen 2.828 N/A TRP 117.A NE1 ASP 119.A OD2 no hydrogen 3.104 N/A VAL 118.A N SER 225.A O no hydrogen 3.061 N/A ASP 119.A N ILE 172.A O no hydrogen 3.072 N/A ALA 120.A N ASP 229.A OD2 no hydrogen 3.385 N/A HIS 121.A N ASP 119.A OD1 no hydrogen 2.851 N/A HIS 121.A ND1 ASP 119.A OD1 no hydrogen 3.080 N/A THR 122.A OG1 GLU 181.A OE2 no hydrogen 2.739 N/A ILE 124.A N GLU 181.A OE2 no hydrogen 2.941 N/A ASN 125.A N GLY 137.A O no hydrogen 3.094 N/A ASN 125.A ND2 ASP 178.A OD2 no hydrogen 2.686 N/A THR 126.A N THR 129.A OG1 no hydrogen 2.771 N/A LEU 128.A N THR 126.A OG1 no hydrogen 2.951 N/A THR 129.A N THR 126.A O no hydrogen 3.265 N/A THR 129.A N THR 126.A OG1 no hydrogen 3.004 N/A THR 129.A OG1 ASN 125.A OD1 no hydrogen 2.839 N/A THR 130.A N THR 126.A O no hydrogen 3.090 N/A GLY 133.A N THR 130.A OG1 no hydrogen 2.945 N/A ASN 134.A N SER 132.A OG no hydrogen 3.095 N/A HIS 136.A N GLY 13.A O no hydrogen 2.847 N/A HIS 136.A ND1 GLU 272.A OE2 no hydrogen 3.000 N/A GLY 137.A N ASN 134.A O no hydrogen 3.150 N/A GLN 138.A N LEU 135.A O no hydrogen 3.087 N/A VAL 140.A N ASP 123.A O no hydrogen 2.964 N/A SER 141.A N GLN 138.A O no hydrogen 3.034 N/A SER 141.A OG ASN 125.A O no hydrogen 2.704 N/A SER 141.A OG GLN 138.A O no hydrogen 2.694 N/A PHE 142.A N PRO 139.A O no hydrogen 3.260 N/A LEU 143.A N VAL 140.A O no hydrogen 3.218 N/A LEU 144.A N VAL 140.A O no hydrogen 3.177 N/A LYS 145.A N ILE 164.A O no hydrogen 2.921 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.742 N/A LEU 147.A N LEU 144.A O no hydrogen 3.108 N/A LYS 148.A N LYS 145.A O no hydrogen 3.059 N/A LYS 148.A NZ LYS 145.A O no hydrogen 3.428 N/A LYS 150.A N LEU 147.A O no hydrogen 2.911 N/A PHE 157.A N VAL 154.A O no hydrogen 3.121 N/A TRP 159.A NE1 GLY 69.A O no hydrogen 3.079 N/A VAL 160.A N PHE 157.A O no hydrogen 3.000 N/A ILE 164.A N LEU 143.A O no hydrogen 3.095 N/A SER 165.A N ASP 168.A OD2 no hydrogen 3.251 N/A SER 165.A OG GLU 146.A OE2 no hydrogen 2.793 N/A ALA 166.A N GLU 146.A OE1 no hydrogen 2.918 N/A ALA 166.A N GLU 146.A OE2 no hydrogen 3.142 N/A LYS 167.A NZ ASP 168.A OD1 no hydrogen 3.250 N/A ASP 168.A N SER 165.A O no hydrogen 2.882 N/A VAL 170.A N VAL 115.A O no hydrogen 2.862 N/A TYR 171.A N LYS 191.A O no hydrogen 3.182 N/A TYR 171.A OH THR 122.A O no hydrogen 2.499 N/A ILE 172.A N TRP 117.A O no hydrogen 2.960 N/A GLY 173.A N PHE 193.A O no hydrogen 2.905 N/A ARG 175.A N ALA 120.A O no hydrogen 2.899 N/A ARG 175.A NE VAL 243.A O no hydrogen 2.876 N/A ARG 175.A NE VAL 244.A O no hydrogen 3.187 N/A ARG 175.A NH1 GLY 173.A O no hydrogen 3.009 N/A ARG 175.A NH1 GLY 230.A O no hydrogen 2.900 N/A ARG 175.A NH2 ASP 229.A O no hydrogen 2.784 N/A ARG 175.A NH2 GLY 230.A O no hydrogen 3.346 N/A ARG 175.A NH2 VAL 243.A O no hydrogen 2.884 N/A ASP 176.A N ALA 120.A O no hydrogen 3.065 N/A ASP 178.A N GLU 181.A OE1 no hydrogen 2.877 N/A HIS 182.A N ASP 178.A O no hydrogen 2.862 N/A TYR 183.A N PRO 179.A O no hydrogen 2.947 N/A ILE 184.A N GLY 180.A O no hydrogen 2.998 N/A LEU 185.A N GLU 181.A O no hydrogen 2.991 N/A LYS 186.A N HIS 182.A O no hydrogen 3.098 N/A LYS 186.A NZ TYR 192.A OH no hydrogen 3.024 N/A THR 187.A N TYR 183.A O no hydrogen 2.829 N/A THR 187.A OG1 TYR 183.A O no hydrogen 2.688 N/A LEU 188.A N ILE 184.A O no hydrogen 2.893 N/A ILE 190.A N LEU 185.A O no hydrogen 3.007 N/A PHE 193.A N TYR 171.A O no hydrogen 2.840 N/A SER 194.A N GLU 197.A OE2 no hydrogen 2.795 N/A SER 194.A OG GLU 197.A OE2 no hydrogen 2.545 N/A MET 195.A N LEU 174.A O no hydrogen 2.849 N/A THR 196.A N SER 194.A OG no hydrogen 3.234 N/A VAL 198.A N SER 194.A O no hydrogen 3.131 N/A ASP 199.A N MET 195.A O no hydrogen 2.928 N/A ARG 200.A N THR 196.A O no hydrogen 2.951 N/A ARG 200.A NH2 GLU 197.A OE1 no hydrogen 3.072 N/A LEU 201.A N GLU 197.A O no hydrogen 2.842 N/A GLY 202.A N VAL 198.A O no hydrogen 2.755 N/A LYS 205.A NZ GLU 208.A OE2 no hydrogen 2.931 N/A VAL 206.A N GLY 202.A O no hydrogen 3.117 N/A MET 207.A N ILE 203.A O no hydrogen 2.981 N/A GLU 208.A N GLY 204.A O no hydrogen 3.048 N/A GLU 209.A N LYS 205.A O no hydrogen 2.881 N/A THR 210.A N VAL 206.A O no hydrogen 2.879 N/A THR 210.A OG1 VAL 206.A O no hydrogen 2.908 N/A LEU 211.A N MET 207.A O no hydrogen 3.047 N/A SER 212.A N GLU 208.A O no hydrogen 3.044 N/A TYR 213.A N GLU 209.A O no hydrogen 2.810 N/A LEU 214.A N THR 210.A O no hydrogen 3.034 N/A LEU 215.A N LEU 211.A O no hydrogen 2.708 N/A GLY 216.A N SER 212.A O no hydrogen 2.801 N/A LYS 219.A NZ LEU 215.A O no hydrogen 3.346 N/A ARG 220.A NE ASP 112.A O no hydrogen 2.793 N/A ARG 220.A NH1 LEU 214.A O no hydrogen 2.851 N/A ARG 220.A NH2 ASP 112.A O no hydrogen 3.471 N/A ARG 220.A NH2 LEU 113.A O no hydrogen 3.158 N/A ARG 220.A NH2 ASP 168.A OD1 no hydrogen 2.674 N/A ILE 222.A N LEU 264.A O no hydrogen 2.887 N/A HIS 223.A N GLY 114.A O no hydrogen 2.769 N/A HIS 223.A ND1 HIS 106.A ND1 no hydrogen 2.813 N/A HIS 223.A NE2 ASP 269.A OD2 no hydrogen 2.814 N/A LEU 224.A N GLY 267.A O no hydrogen 2.784 N/A SER 225.A N ILE 116.A O no hydrogen 2.927 N/A SER 225.A OG HIS 96.A NE2 no hydrogen 2.716 N/A SER 225.A OG ASP 269.A OD2 no hydrogen 2.825 N/A PHE 226.A N ASP 269.A O no hydrogen 2.776 N/A ASP 227.A N VAL 118.A O no hydrogen 2.921 N/A VAL 228.A N MET 271.A O no hydrogen 2.956 N/A ASP 229.A N ASP 227.A OD1 no hydrogen 2.910 N/A GLY 230.A N ASP 227.A O no hydrogen 2.898 N/A LEU 231.A N VAL 228.A O no hydrogen 3.293 N/A ASP 232.A N LEU 247.A O no hydrogen 2.807 N/A SER 234.A N ASP 232.A OD1 no hydrogen 3.088 N/A SER 234.A OG ASP 232.A OD1 no hydrogen 2.599 N/A PHE 235.A N ASP 232.A O no hydrogen 2.833 N/A THR 236.A N ASP 232.A O no hydrogen 3.160 N/A THR 236.A OG1 VAL 228.A O no hydrogen 2.698 N/A ALA 238.A N THR 287.A OG1 no hydrogen 3.031 N/A THR 239.A N PRO 237.A O no hydrogen 2.834 N/A THR 239.A OG1 GLU 272.A O no hydrogen 2.761 N/A THR 241.A OG1 ASP 229.A OD1 no hydrogen 2.928 N/A GLY 246.A N ASP 232.A OD2 no hydrogen 2.851 N/A LEU 247.A N GLY 230.A O no hydrogen 3.267 N/A THR 248.A N GLU 251.A OE1 no hydrogen 2.833 N/A GLU 251.A N THR 248.A OG1 no hydrogen 3.063 N/A GLY 252.A N THR 248.A O no hydrogen 2.873 N/A LEU 253.A N TYR 249.A O no hydrogen 2.997 N/A TYR 254.A N ARG 250.A O no hydrogen 2.795 N/A ILE 255.A N GLU 251.A O no hydrogen 2.862 N/A THR 256.A N GLY 252.A O no hydrogen 3.279 N/A THR 256.A OG1 GLY 252.A O no hydrogen 3.098 N/A THR 256.A OG1 LEU 253.A O no hydrogen 2.989 N/A GLU 257.A N LEU 253.A O no hydrogen 2.827 N/A GLU 258.A N TYR 254.A O no hydrogen 3.001 N/A ILE 259.A N ILE 255.A O no hydrogen 3.068 N/A TYR 260.A N THR 256.A O no hydrogen 2.862 N/A LYS 261.A N GLU 257.A O no hydrogen 3.075 N/A LYS 261.A NZ GLU 258.A OE2 no hydrogen 3.415 N/A THR 262.A N ILE 259.A O no hydrogen 3.103 N/A THR 262.A OG1 ILE 259.A O no hydrogen 2.552 N/A GLY 263.A N TYR 260.A O no hydrogen 2.865 N/A LEU 264.A N THR 262.A OG1 no hydrogen 2.889 N/A SER 266.A N ILE 222.A O no hydrogen 2.706 N/A SER 266.A OG HIS 106.A NE2 no hydrogen 2.704 N/A GLY 267.A N ILE 222.A O no hydrogen 3.111 N/A LEU 268.A N SER 89.A O no hydrogen 2.791 N/A ASP 269.A N LEU 224.A O no hydrogen 2.841 N/A ILE 270.A N VAL 91.A O no hydrogen 3.010 N/A MET 271.A N PHE 226.A O no hydrogen 2.874 N/A GLU 272.A N GLY 94.A O no hydrogen 2.961 N/A ASN 274.A N ALA 238.A O no hydrogen 2.852 N/A LEU 277.A N ASN 274.A O no hydrogen 2.929 N/A GLY 278.A N PRO 275.A O no hydrogen 3.067 N/A LYS 279.A N GLU 283.A OE1 no hydrogen 2.695 N/A GLU 283.A N THR 280.A OG1 no hydrogen 3.154 N/A VAL 284.A N THR 280.A O no hydrogen 3.269 N/A THR 285.A N PRO 281.A O no hydrogen 3.172 N/A THR 285.A OG1 PRO 281.A O no hydrogen 3.559 N/A THR 285.A OG1 GLU 282.A O no hydrogen 3.005 N/A ARG 286.A N GLU 282.A O no hydrogen 2.834 N/A ARG 286.A NE GLU 282.A OE2 no hydrogen 3.116 N/A ARG 286.A NH1 SER 234.A O no hydrogen 2.875 N/A ARG 286.A NH2 GLU 282.A OE1 no hydrogen 2.660 N/A THR 287.A N GLU 283.A O no hydrogen 3.030 N/A THR 287.A OG1 GLU 283.A O no hydrogen 2.862 N/A VAL 288.A N VAL 284.A O no hydrogen 2.970 N/A ASN 289.A N THR 285.A O no hydrogen 2.785 N/A THR 290.A N ARG 286.A O no hydrogen 3.199 N/A THR 290.A OG1 PHE 235.A O no hydrogen 3.465 N/A THR 290.A OG1 ARG 286.A O no hydrogen 2.827 N/A ALA 291.A N THR 287.A O no hydrogen 2.957 N/A VAL 292.A N VAL 288.A O no hydrogen 2.905 N/A ALA 293.A N ASN 289.A O no hydrogen 3.029 N/A ILE 294.A N THR 290.A O no hydrogen 3.031 N/A THR 295.A N ALA 291.A O no hydrogen 3.194 N/A THR 295.A OG1 ALA 291.A O no hydrogen 2.794 N/A LEU 296.A N VAL 292.A O no hydrogen 2.849 N/A ALA 297.A N ALA 293.A O no hydrogen 3.045 N/A CYS 298.A N ILE 294.A O no hydrogen 3.202 N/A CYS 298.A SG ILE 294.A O no hydrogen 3.451 N/A PHE 299.A N LEU 296.A O no hydrogen 3.012 N/A GLY 300.A N ALA 297.A O no hydrogen 3.349 N/A LEU 301.A N LEU 296.A O no hydrogen 3.163 N/A ALA 302.A N ASN 306.A OD1 no hydrogen 2.982 N/A ARG 303.A N GLU 257.A OE2 no hydrogen 3.140 N/A ARG 303.A NE GLU 257.A OE1 no hydrogen 3.415 N/A ARG 303.A NE GLU 257.A OE2 no hydrogen 2.965 N/A ARG 303.A NH2 GLU 257.A OE1 no hydrogen 2.805 N/A GLY 305.A N ALA 302.A O no hydrogen 3.035 N/A ASN 306.A ND2 GLY 300.A O no hydrogen 2.780 N/A HIS 307.A ND1 LYS 308.A O no hydrogen 2.904 N/A LYS 308.A N TYR 312.A OH no hydrogen 2.806 N/A ILE 310.A N LYS 308.A O no hydrogen 2.810 N/A LEU 313.A N ASP 311.A OD2 no hydrogen 3.007 N/A ASN 314.A N ASP 311.A O no hydrogen 2.956 N/A ASN 314.A N ASP 311.A OD2 no hydrogen 2.792 N/A