Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N SER 137.A O no hydrogen 2.779 N/A LYS 3.A N GLN 135.A O no hydrogen 3.048 N/A VAL 5.A N VAL 133.A O no hydrogen 2.905 N/A PHE 7.A N VAL 131.A O no hydrogen 3.194 N/A TYR 9.A N CYS 129.A O no hydrogen 2.890 N/A TRP 11.A N LEU 127.A O no hydrogen 2.903 N/A THR 12.A OG1 THR 126.A OG1 no hydrogen 3.174 N/A ILE 13.A N LEU 125.A O no hydrogen 2.625 N/A PHE 16.A N ASP 123.A O no hydrogen 2.777 N/A SER 17.A N ASP 123.A OD1 no hydrogen 3.162 N/A SER 17.A OG ASP 123.A OD1 no hydrogen 2.617 N/A SER 17.A OG ASP 123.A OD2 no hydrogen 3.435 N/A PHE 18.A N ASN 15.A O no hydrogen 3.039 N/A CYS 19.A N PHE 16.A O no hydrogen 2.989 N/A CYS 19.A SG PHE 16.A O no hydrogen 2.925 N/A GLU 22.A N GLU 25.A OE1 no hydrogen 2.479 N/A GLY 24.A N GLY 48.A O no hydrogen 3.244 N/A GLU 25.A N GLU 22.A O no hydrogen 2.795 N/A ILE 27.A N VAL 44.A O no hydrogen 2.992 N/A LYS 28.A NZ LYS 28.A O no hydrogen 3.545 N/A SER 29.A N LEU 42.A O no hydrogen 2.929 N/A SER 29.A OG SER 30.A O no hydrogen 2.862 N/A PHE 32.A N TRP 40.A O no hydrogen 2.751 N/A SER 33.A OG SER 34.A O no hydrogen 3.489 N/A SER 33.A OG ASP 36.A OD2 no hydrogen 3.055 N/A SER 33.A OG LEU 38.A O no hydrogen 3.508 N/A SER 34.A N ASP 36.A OD2 no hydrogen 3.457 N/A ASN 35.A ND2 SER 34.A O no hydrogen 3.687 N/A LEU 38.A N ASP 36.A OD1 no hydrogen 2.949 N/A LYS 39.A N SER 63.A O no hydrogen 3.049 N/A TRP 40.A N PHE 32.A O no hydrogen 2.885 N/A CYS 41.A N LEU 60.A O no hydrogen 3.012 N/A CYS 41.A SG LEU 42.A O no hydrogen 3.829 N/A LEU 42.A N SER 29.A OG no hydrogen 2.969 N/A ARG 43.A N TYR 58.A O no hydrogen 2.885 N/A VAL 44.A N ILE 27.A O no hydrogen 2.959 N/A ASN 45.A N SER 56.A O no hydrogen 2.712 N/A GLY 48.A N ASN 45.A O no hydrogen 2.846 N/A TYR 54.A N SER 51.A O no hydrogen 3.014 N/A LEU 55.A N ILE 107.A O no hydrogen 2.894 N/A SER 56.A N ASN 45.A O no hydrogen 3.160 N/A SER 56.A OG LYS 104.A O no hydrogen 2.565 N/A LEU 57.A N PHE 103.A O no hydrogen 3.193 N/A TYR 58.A N ARG 43.A O no hydrogen 2.776 N/A LEU 59.A N TRP 101.A O no hydrogen 2.749 N/A LEU 60.A N CYS 41.A O no hydrogen 2.960 N/A LEU 61.A N LYS 99.A O no hydrogen 3.100 N/A VAL 62.A N LYS 39.A O no hydrogen 2.810 N/A SER 63.A N LYS 39.A O no hydrogen 3.200 N/A CYS 64.A N GLN 97.A OE1 no hydrogen 3.154 N/A LYS 66.A N CYS 64.A O no hydrogen 2.711 N/A VAL 68.A N PHE 95.A O no hydrogen 2.807 N/A ALA 70.A N TYR 93.A O no hydrogen 2.868 N/A LYS 71.A N SER 132.A O no hydrogen 2.942 N/A PHE 72.A N SER 89.A OG no hydrogen 3.022 N/A LYS 73.A N GLU 130.A O no hydrogen 2.816 N/A LYS 73.A NZ GLU 83.A OE1 no hydrogen 3.047 N/A LYS 73.A NZ GLU 130.A OE2 no hydrogen 3.563 N/A PHE 74.A N MET 87.A O no hydrogen 2.836 N/A SER 75.A N PHE 128.A O no hydrogen 2.893 N/A ILE 76.A N THR 84.A O no hydrogen 2.979 N/A LEU 77.A N THR 126.A O no hydrogen 3.042 N/A ASN 78.A N GLU 82.A O no hydrogen 3.048 N/A ASN 78.A ND2 GLU 82.A OE2 no hydrogen 3.179 N/A GLY 81.A N ASN 78.A O no hydrogen 2.894 N/A GLU 82.A N ASN 78.A OD1 no hydrogen 2.762 N/A THR 84.A N ILE 76.A O no hydrogen 2.913 N/A MET 87.A N PHE 74.A O no hydrogen 2.841 N/A SER 89.A N PHE 72.A O no hydrogen 3.010 N/A SER 89.A OG PHE 72.A O no hydrogen 3.115 N/A SER 89.A OG ARG 91.A O no hydrogen 3.092 N/A ARG 91.A NH1 ALA 92.A O no hydrogen 3.259 N/A TYR 93.A N ALA 70.A O no hydrogen 2.710 N/A ARG 94.A NH1 GLU 67.A OE1 no hydrogen 2.597 N/A PHE 95.A N VAL 68.A O no hydrogen 2.683 N/A GLY 98.A N LEU 61.A O no hydrogen 2.898 N/A LYS 99.A N VAL 96.A O no hydrogen 2.863 N/A TRP 101.A N LEU 59.A O no hydrogen 2.990 N/A TRP 101.A NE1 ARG 94.A O no hydrogen 2.722 N/A PHE 103.A N LEU 57.A O no hydrogen 2.852 N/A PHE 106.A N LEU 55.A O no hydrogen 2.908 N/A ARG 109.A N ASP 53.A O no hydrogen 2.964 N/A ARG 109.A NH1 PRO 46.A O no hydrogen 3.206 N/A LEU 112.A N ARG 108.A O no hydrogen 3.087 N/A LEU 113.A N ARG 109.A O no hydrogen 2.694 N/A ASP 114.A N PHE 111.A O no hydrogen 3.414 N/A ALA 116.A N ASP 114.A OD2 no hydrogen 2.989 N/A ASN 117.A N ASP 114.A O no hydrogen 2.746 N/A GLY 118.A N GLU 115.A O no hydrogen 2.957 N/A ASP 123.A N LEU 120.A O no hydrogen 2.853 N/A LYS 124.A N PRO 121.A O no hydrogen 3.061 N/A LYS 124.A NZ ASN 14.A OD1 no hydrogen 3.398 N/A LEU 125.A N ILE 13.A O no hydrogen 2.946 N/A THR 126.A OG1 THR 12.A OG1 no hydrogen 3.174 N/A LEU 127.A N TRP 11.A O no hydrogen 2.732 N/A PHE 128.A N SER 75.A O no hydrogen 2.772 N/A CYS 129.A N TYR 9.A O no hydrogen 2.948 N/A GLU 130.A N LYS 73.A O no hydrogen 2.808 N/A VAL 131.A N PHE 7.A O no hydrogen 2.929 N/A SER 132.A N LYS 71.A O no hydrogen 2.787 N/A VAL 133.A N VAL 5.A O no hydrogen 2.982 N/A VAL 134.A N ARG 69.A O no hydrogen 2.830 N/A GLN 135.A N LYS 3.A O no hydrogen 3.040 N/A SER 137.A N GLY 1.A O no hydrogen 3.322 N/A ASN 147.A N THR 145.A OG1 no hydrogen 3.162 N/A GLU 159.A N ARG 155.A O no hydrogen 3.072 N/A LEU 160.A N LEU 156.A O no hydrogen 2.974 N/A GLY 161.A N ALA 157.A O no hydrogen 2.785 N/A GLY 162.A N ASP 158.A O no hydrogen 3.201 N/A GLY 162.A N GLU 159.A O no hydrogen 2.900 N/A LEU 163.A N LEU 160.A O no hydrogen 3.062 N/A GLU 165.A N GLY 161.A O no hydrogen 2.901 N/A ASN 166.A N GLY 162.A O no hydrogen 3.013 N/A SER 167.A N TRP 164.A O no hydrogen 3.205 N/A ARG 168.A N LEU 163.A O no hydrogen 3.173 N/A ASP 171.A N ALA 183.A O no hydrogen 2.998 N/A CYS 172.A N ALA 183.A O no hydrogen 3.348 N/A CYS 173.A N ASN 204.A O no hydrogen 2.617 N/A CYS 173.A SG PHE 181.A O no hydrogen 4.009 N/A LEU 174.A N PHE 181.A O no hydrogen 2.635 N/A CYS 175.A N VAL 206.A O no hydrogen 2.851 N/A CYS 175.A SG GLN 179.A O no hydrogen 3.992 N/A VAL 176.A N GLN 179.A O no hydrogen 2.670 N/A GLN 179.A N VAL 176.A O no hydrogen 2.992 N/A PHE 181.A N LEU 174.A O no hydrogen 2.745 N/A ALA 183.A N CYS 172.A O no hydrogen 3.082 N/A LYS 185.A N ASP 171.A OD1 no hydrogen 2.953 N/A LEU 188.A N HIS 184.A O no hydrogen 3.078 N/A ALA 189.A N LYS 185.A O no hydrogen 2.751 N/A ALA 190.A N ALA 186.A O no hydrogen 2.826 N/A ARG 191.A N ILE 187.A O no hydrogen 3.180 N/A ARG 191.A NE ILE 223.A O no hydrogen 2.567 N/A ARG 191.A NH2 PHE 222.A O no hydrogen 3.177 N/A SER 192.A N LEU 188.A O no hydrogen 2.912 N/A SER 192.A OG TYR 245.A O no hydrogen 2.905 N/A PHE 195.A N SER 192.A OG no hydrogen 2.963 N/A SER 196.A N SER 192.A O no hydrogen 2.803 N/A ALA 197.A N PRO 193.A O no hydrogen 2.902 N/A MET 198.A N VAL 194.A O no hydrogen 3.109 N/A PHE 199.A N PHE 195.A O no hydrogen 2.927 N/A GLU 200.A N ALA 197.A O no hydrogen 2.842 N/A HIS 201.A N ALA 197.A O no hydrogen 2.887 N/A ARG 205.A NH1 GLU 180.A OE1 no hydrogen 2.902 N/A ARG 205.A NH2 GLU 180.A OE1 no hydrogen 3.028 N/A VAL 206.A N CYS 173.A O no hydrogen 3.032 N/A ILE 208.A N CYS 175.A O no hydrogen 2.906 N/A PHE 216.A N GLU 212.A O no hydrogen 2.802 N/A LYS 217.A N PRO 213.A O no hydrogen 2.982 N/A MET 219.A N VAL 215.A O no hydrogen 3.004 N/A MET 220.A N PHE 216.A O no hydrogen 2.847 N/A CYS 221.A N LYS 217.A O no hydrogen 2.935 N/A CYS 221.A SG LYS 227.A O no hydrogen 4.013 N/A PHE 222.A N GLU 218.A O no hydrogen 3.117 N/A ILE 223.A N MET 219.A O no hydrogen 3.010 N/A TYR 224.A N MET 220.A O no hydrogen 3.115 N/A THR 225.A N CYS 221.A O no hydrogen 3.057 N/A THR 225.A OG1 CYS 221.A O no hydrogen 2.691 N/A GLY 226.A N PHE 222.A O no hydrogen 2.863 N/A LYS 227.A N THR 225.A OG1 no hydrogen 3.179 N/A ASN 230.A N GLU 218.A OE2 no hydrogen 2.926 N/A ASN 230.A ND2 GLU 218.A OE1 no hydrogen 2.799 N/A LEU 231.A N ALA 228.A O no hydrogen 3.099 N/A LYS 233.A N ASN 230.A O no hydrogen 2.952 N/A LYS 233.A NZ ASN 230.A OD1 no hydrogen 3.280 N/A MET 234.A N LEU 231.A O no hydrogen 3.211 N/A LEU 238.A N MET 234.A O no hydrogen 2.752 N/A LEU 239.A N ALA 235.A O no hydrogen 3.111 N/A ALA 240.A N ASP 236.A O no hydrogen 3.480 N/A ALA 241.A N ASP 237.A O no hydrogen 2.885 N/A ALA 242.A N LEU 238.A O no hydrogen 2.740 N/A ASP 243.A N LEU 239.A O no hydrogen 2.873 N/A LYS 244.A N ALA 240.A O no hydrogen 2.917 N/A LYS 244.A NZ TYR 245.A OH no hydrogen 3.544 N/A TYR 245.A N ALA 241.A O no hydrogen 3.054 N/A TYR 245.A OH ASP 210.A OD1 no hydrogen 2.914 N/A ALA 246.A N ASP 243.A O no hydrogen 3.429 N/A LEU 247.A N ALA 242.A O no hydrogen 2.902 N/A ARG 249.A NH1 GLY 226.A O no hydrogen 2.964 N/A LYS 251.A N LEU 247.A O no hydrogen 3.002 N/A LYS 251.A NZ HIS 277.A O no hydrogen 2.713 N/A VAL 252.A N GLU 248.A O no hydrogen 2.940 N/A MET 253.A N ARG 249.A O no hydrogen 2.952 N/A CYS 254.A N LEU 250.A O no hydrogen 3.048 N/A CYS 254.A N LYS 251.A O no hydrogen 3.019 N/A CYS 254.A SG ALA 235.A O no hydrogen 3.663 N/A CYS 254.A SG LEU 250.A O no hydrogen 3.388 N/A GLU 255.A N LYS 251.A O no hydrogen 2.880 N/A ASP 256.A N VAL 252.A O no hydrogen 2.793 N/A ALA 257.A N MET 253.A O no hydrogen 3.340 N/A LEU 258.A N CYS 254.A O no hydrogen 2.768 N/A CYS 259.A N GLU 255.A O no hydrogen 2.904 N/A CYS 259.A SG GLN 285.A OE1 no hydrogen 3.584 N/A SER 260.A N ASP 256.A O no hydrogen 3.130 N/A SER 260.A OG ASP 256.A O no hydrogen 3.551 N/A ASN 261.A N LEU 258.A O no hydrogen 3.351 N/A LEU 262.A N CYS 259.A O no hydrogen 3.304 N/A SER 263.A N ASN 266.A OD1 no hydrogen 3.171 N/A SER 263.A OG GLU 265.A OE1 no hydrogen 3.485 N/A ASN 266.A N SER 263.A O no hydrogen 3.140 N/A ASN 266.A ND2 ASN 261.A O no hydrogen 3.302 N/A ALA 267.A N SER 263.A O no hydrogen 3.035 N/A ILE 270.A N ASN 266.A O no hydrogen 2.921 N/A LEU 271.A N ALA 267.A O no hydrogen 2.954 N/A ILE 272.A N ALA 268.A O no hydrogen 3.365 N/A LEU 273.A N GLU 269.A O no hydrogen 3.262 N/A ALA 274.A N ILE 270.A O no hydrogen 2.835 N/A ASP 275.A N LEU 271.A O no hydrogen 2.827 N/A LEU 276.A N ILE 272.A O no hydrogen 3.116 N/A HIS 277.A N LEU 273.A O no hydrogen 3.231 N/A HIS 277.A ND1 ASP 243.A OD2 no hydrogen 3.292 N/A SER 278.A N ASP 275.A O no hydrogen 3.197 N/A ALA 279.A N ALA 274.A O no hydrogen 2.857 N/A LEU 282.A N GLU 255.A OE1 no hydrogen 2.746 N/A LYS 283.A N ALA 279.A O no hydrogen 2.868 N/A THR 284.A N ASP 280.A O no hydrogen 3.201 N/A THR 284.A OG1 ASP 280.A O no hydrogen 3.522 N/A GLN 285.A N GLN 281.A O no hydrogen 3.303 N/A ALA 286.A N LEU 282.A O no hydrogen 2.932 N/A VAL 287.A N LYS 283.A O no hydrogen 2.850 N/A ASP 288.A N THR 284.A O no hydrogen 2.886 N/A PHE 289.A N GLN 285.A O no hydrogen 2.940 N/A ILE 290.A N ALA 286.A O no hydrogen 2.829 N/A ASN 291.A N VAL 287.A O no hydrogen 2.895 N/A TYR 292.A N ASP 288.A O no hydrogen 2.735 N/A HIS 293.A N PHE 289.A O no hydrogen 3.149 N/A HIS 293.A N ILE 290.A O no hydrogen 3.191 N/A ALA 294.A N ASN 291.A O no hydrogen 2.806 N/A