Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qfd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 166.A OD2 no hydrogen 2.740 N/A VAL 3.A N ASP 26.A O no hydrogen 2.706 N/A VAL 4.A N VAL 167.A O no hydrogen 3.038 N/A VAL 5.A N LYS 28.A O no hydrogen 2.789 N/A ILE 6.A N VAL 169.A O no hydrogen 2.740 N/A GLY 7.A N TYR 30.A O no hydrogen 2.834 N/A VAL 10.A N THR 40.A OG1 no hydrogen 3.096 N/A LEU 13.A N GLY 9.A O no hydrogen 2.981 N/A SER 14.A N VAL 10.A O no hydrogen 2.924 N/A SER 14.A OG VAL 10.A O no hydrogen 2.767 N/A SER 14.A OG ILE 11.A O no hydrogen 3.054 N/A THR 15.A N ILE 11.A O no hydrogen 2.873 N/A THR 15.A OG1 ILE 11.A O no hydrogen 2.732 N/A ALA 16.A N GLY 12.A O no hydrogen 3.038 N/A LEU 17.A N LEU 13.A O no hydrogen 3.027 N/A CYS 18.A N SER 14.A O no hydrogen 2.934 N/A ILE 19.A N THR 15.A O no hydrogen 2.890 N/A HIS 20.A N ALA 16.A O no hydrogen 3.020 N/A HIS 20.A ND1 GLU 21.A OE2 no hydrogen 2.765 N/A GLU 21.A N LEU 17.A O no hydrogen 2.976 N/A ARG 22.A N CYS 18.A O no hydrogen 3.405 N/A TYR 23.A N ILE 19.A O no hydrogen 3.078 N/A TYR 23.A OH ALA 313.A O no hydrogen 2.948 N/A ASP 26.A N MET 1.A O no hydrogen 3.430 N/A LYS 28.A N VAL 3.A O no hydrogen 2.978 N/A VAL 29.A N LYS 148.A O no hydrogen 3.217 N/A TYR 30.A N VAL 5.A O no hydrogen 2.751 N/A ARG 33.A NH1 GLU 239.A OE2 no hydrogen 3.162 N/A ARG 33.A NH2 GLU 239.A OE2 no hydrogen 2.874 N/A LEU 37.A N PHE 34.A O no hydrogen 3.032 N/A THR 38.A N ASP 41.A OD1 no hydrogen 3.089 N/A THR 38.A OG1 ASP 41.A OD1 no hydrogen 2.536 N/A THR 39.A OG1 PHE 272.A O no hydrogen 3.552 N/A ASP 41.A N THR 38.A O no hydrogen 3.088 N/A ASP 41.A N THR 38.A OG1 no hydrogen 3.235 N/A VAL 42.A N THR 39.A O no hydrogen 3.099 N/A TRP 47.A N LEU 127.A O no hydrogen 2.996 N/A GLN 48.A N THR 303.A OG1 no hydrogen 2.950 N/A GLN 48.A NE2 ASN 86.A OD1 no hydrogen 2.586 N/A ASP 56.A N GLN 53.A O no hydrogen 2.903 N/A SER 58.A N GLU 54.A O no hydrogen 2.927 N/A SER 58.A OG GLU 54.A O no hydrogen 3.122 N/A GLN 59.A N ALA 55.A O no hydrogen 2.923 N/A GLN 60.A N ASP 56.A O no hydrogen 2.812 N/A THR 61.A N TRP 57.A O no hydrogen 3.112 N/A THR 61.A OG1 TRP 57.A O no hydrogen 2.786 N/A PHE 62.A N SER 58.A O no hydrogen 2.904 N/A ASP 63.A N GLN 59.A O no hydrogen 3.328 N/A TYR 64.A N GLN 60.A O no hydrogen 3.039 N/A LEU 65.A N THR 61.A O no hydrogen 2.988 N/A LEU 66.A N PHE 62.A O no hydrogen 2.712 N/A SER 67.A N ASP 63.A O no hydrogen 2.901 N/A SER 67.A OG TYR 64.A O no hydrogen 2.545 N/A SER 67.A OG HIS 68.A ND1 no hydrogen 2.732 N/A HIS 68.A N LEU 65.A O no hydrogen 2.831 N/A HIS 68.A ND1 SER 67.A OG no hydrogen 2.732 N/A SER 71.A N HIS 68.A O no hydrogen 3.058 N/A SER 71.A OG HIS 68.A O no hydrogen 3.183 N/A ALA 74.A N SER 71.A O no hydrogen 3.132 N/A LEU 77.A N ASN 73.A O no hydrogen 3.356 N/A GLY 78.A N GLU 75.A O no hydrogen 3.027 N/A LEU 79.A N ALA 74.A O no hydrogen 3.114 N/A PHE 80.A N ILE 128.A O no hydrogen 3.059 N/A ILE 82.A N SER 126.A O no hydrogen 2.897 N/A SER 83.A OG THR 125.A OG1 no hydrogen 2.680 N/A GLY 84.A N HIS 124.A O no hydrogen 2.936 N/A TYR 85.A N PHE 203.A O no hydrogen 2.892 N/A ASN 86.A N TRP 122.A O no hydrogen 3.225 N/A ASN 86.A ND2 GLN 48.A OE1 no hydrogen 3.299 N/A LEU 87.A N LEU 205.A O no hydrogen 2.742 N/A PHE 88.A N TYR 120.A O no hydrogen 2.879 N/A LYS 98.A N PRO 95.A O no hydrogen 3.129 N/A THR 100.A N TRP 97.A O no hydrogen 2.928 N/A THR 100.A OG1 GLN 59.A OE1 no hydrogen 2.367 N/A VAL 101.A N TRP 97.A O no hydrogen 3.238 N/A LEU 102.A N THR 125.A O no hydrogen 3.132 N/A ARG 105.A N PHE 123.A O no hydrogen 2.948 N/A ARG 105.A NH1 GLU 111.A OE1 no hydrogen 3.090 N/A ARG 105.A NH1 GLU 111.A OE2 no hydrogen 2.712 N/A ARG 105.A NH2 GLU 111.A OE1 no hydrogen 2.858 N/A LEU 107.A N GLY 121.A O no hydrogen 2.993 N/A THR 108.A N GLU 111.A OE2 no hydrogen 3.059 N/A THR 108.A OG1 GLU 111.A OE2 no hydrogen 2.576 N/A LEU 112.A N THR 108.A O no hydrogen 3.098 N/A ASP 113.A N PRO 109.A O no hydrogen 3.196 N/A MET 114.A N GLU 111.A O no hydrogen 3.034 N/A PHE 115.A N LEU 112.A O no hydrogen 3.345 N/A TYR 118.A N PHE 115.A O no hydrogen 3.151 N/A GLY 119.A N PHE 88.A O no hydrogen 3.318 N/A TYR 120.A N PHE 88.A O no hydrogen 3.438 N/A TRP 122.A N ASN 86.A O no hydrogen 2.850 N/A PHE 123.A N ARG 105.A O no hydrogen 3.021 N/A HIS 124.A N GLY 84.A O no hydrogen 3.262 N/A THR 125.A N LEU 102.A O no hydrogen 2.928 N/A THR 125.A OG1 SER 83.A OG no hydrogen 2.680 N/A SER 126.A N ILE 82.A O no hydrogen 2.758 N/A SER 126.A OG TRP 47.A O no hydrogen 2.801 N/A ILE 128.A N PHE 80.A O no hydrogen 2.885 N/A LEU 129.A N GLY 45.A O no hydrogen 2.848 N/A GLU 130.A N GLY 78.A O no hydrogen 2.763 N/A TYR 134.A N GLU 130.A O no hydrogen 3.027 N/A TYR 134.A OH HIS 305.A NE2 no hydrogen 2.667 N/A LEU 135.A N GLY 131.A O no hydrogen 3.083 N/A GLN 136.A N LYS 132.A O no hydrogen 3.244 N/A GLN 136.A NE2 THR 35.A OG1 no hydrogen 3.364 N/A TRP 137.A N ASN 133.A O no hydrogen 3.022 N/A LEU 138.A N TYR 134.A O no hydrogen 2.758 N/A THR 139.A N LEU 135.A O no hydrogen 2.770 N/A THR 139.A OG1 LEU 135.A O no hydrogen 2.608 N/A GLU 140.A N GLN 136.A O no hydrogen 2.927 N/A ARG 141.A N TRP 137.A O no hydrogen 2.964 N/A ARG 141.A NE GLU 144.A OE2 no hydrogen 2.942 N/A ARG 141.A NH2 GLU 144.A OE1 no hydrogen 2.752 N/A LEU 142.A N LEU 138.A O no hydrogen 2.904 N/A THR 143.A N THR 139.A O no hydrogen 2.898 N/A THR 143.A OG1 THR 139.A O no hydrogen 3.103 N/A GLU 144.A N GLU 140.A O no hydrogen 3.054 N/A ARG 145.A N ARG 141.A O no hydrogen 3.269 N/A ARG 145.A N LEU 142.A O no hydrogen 3.118 N/A ARG 145.A NE GLU 21.A OE2 no hydrogen 2.708 N/A ARG 145.A NH1 ARG 141.A O no hydrogen 3.528 N/A ARG 145.A NH2 GLU 21.A OE1 no hydrogen 2.766 N/A GLY 146.A N THR 143.A O no hydrogen 2.790 N/A VAL 147.A N LEU 142.A O no hydrogen 2.966 N/A PHE 150.A N VAL 29.A O no hydrogen 3.202 N/A GLN 151.A NE2 ASP 32.A O no hydrogen 2.731 N/A ARG 152.A N ALA 31.A O no hydrogen 3.204 N/A GLU 155.A N GLU 159.A OE1 no hydrogen 2.673 N/A GLU 159.A N SER 156.A OG no hydrogen 3.094 N/A VAL 160.A N SER 156.A O no hydrogen 3.433 N/A ALA 161.A N PHE 157.A O no hydrogen 2.857 N/A ARG 162.A N GLU 158.A O no hydrogen 3.060 N/A GLY 164.A N ALA 161.A O no hydrogen 2.661 N/A ASP 166.A N ARG 2.A O no hydrogen 2.775 N/A VAL 167.A N ARG 2.A O no hydrogen 3.325 N/A ILE 168.A N GLU 290.A O no hydrogen 2.815 N/A VAL 169.A N VAL 4.A O no hydrogen 2.795 N/A ASN 170.A N ILE 292.A O no hydrogen 2.899 N/A ASN 170.A ND2 HIS 293.A ND1 no hydrogen 3.406 N/A CYS 171.A N ILE 6.A O no hydrogen 2.718 N/A CYS 171.A SG ASN 294.A O no hydrogen 3.984 N/A THR 172.A OG1 ASN 170.A OD1 no hydrogen 2.691 N/A ALA 176.A N GLY 173.A O no hydrogen 3.291 N/A ALA 178.A N TRP 175.A O no hydrogen 3.339 N/A LEU 179.A N ALA 176.A O no hydrogen 2.808 N/A GLN 180.A N ALA 176.A O no hydrogen 3.298 N/A GLN 180.A NE2 GLU 284.A OE1 no hydrogen 3.294 N/A GLN 180.A NE2 GLU 284.A OE2 no hydrogen 3.227 N/A LEU 184.A N ASP 182.A OD1 no hydrogen 3.146 N/A LEU 185.A N ASP 182.A O no hydrogen 2.964 N/A GLN 186.A N VAL 275.A O no hydrogen 3.127 N/A GLY 188.A N ARG 273.A O no hydrogen 2.770 N/A ARG 189.A N GLN 233.A O no hydrogen 3.095 N/A ARG 189.A NE SER 238.A O no hydrogen 2.907 N/A ARG 189.A NH1 GLN 233.A OE1 no hydrogen 2.816 N/A ARG 189.A NH1 ASP 245.A OD2 no hydrogen 3.062 N/A ARG 189.A NH2 LEU 240.A O no hydrogen 2.752 N/A GLY 190.A N GLY 271.A O no hydrogen 2.730 N/A GLN 191.A NE2 ASN 242.A O no hydrogen 3.595 N/A ILE 192.A N ARG 269.A O no hydrogen 3.077 N/A MET 193.A N LEU 228.A O no hydrogen 2.947 N/A LYS 194.A N GLY 267.A O no hydrogen 2.776 N/A VAL 195.A N VAL 226.A O no hydrogen 2.888 N/A ASP 196.A N ARG 264.A O no hydrogen 2.836 N/A TRP 199.A NE1 THR 259.A OG1 no hydrogen 3.307 N/A MET 200.A N ALA 197.A O no hydrogen 3.243 N/A LYS 201.A NZ PRO 198.A O no hydrogen 2.777 N/A PHE 203.A N SER 83.A O no hydrogen 3.399 N/A ILE 204.A N ILE 219.A O no hydrogen 2.708 N/A LEU 205.A N TYR 85.A O no hydrogen 2.925 N/A THR 206.A OG1 SER 216.A OG no hydrogen 2.413 N/A THR 206.A OG1 PRO 217.A O no hydrogen 2.420 N/A HIS 207.A ND1 LEU 87.A O no hydrogen 3.079 N/A GLU 210.A N ASP 208.A OD1 no hydrogen 3.406 N/A GLY 212.A N PRO 209.A O no hydrogen 2.999 N/A ASN 215.A N GLY 212.A O no hydrogen 3.206 N/A ASN 215.A ND2 GLY 212.A O no hydrogen 3.558 N/A ASN 215.A ND2 ILE 213.A O no hydrogen 3.180 N/A ASN 215.A ND2 PHE 232.A O no hydrogen 2.884 N/A SER 216.A OG THR 206.A OG1 no hydrogen 2.413 N/A TYR 218.A N GLY 229.A O no hydrogen 2.888 N/A ILE 219.A N ILE 204.A O no hydrogen 2.851 N/A ILE 220.A N THR 227.A O no hydrogen 2.867 N/A GLY 222.A N THR 225.A O no hydrogen 2.821 N/A THR 223.A N GLU 130.A OE1 no hydrogen 2.726 N/A THR 223.A OG1 GLU 130.A OE1 no hydrogen 2.993 N/A THR 223.A OG1 GLU 130.A OE2 no hydrogen 2.492 N/A VAL 226.A N VAL 195.A O no hydrogen 2.772 N/A THR 227.A N ILE 220.A O no hydrogen 2.954 N/A LEU 228.A N MET 193.A O no hydrogen 2.810 N/A GLY 229.A N TYR 218.A O no hydrogen 3.014 N/A PHE 232.A N ASN 215.A OD1 no hydrogen 3.441 N/A GLN 233.A N ARG 189.A O no hydrogen 2.798 N/A GLN 233.A NE2 ASP 245.A OD1 no hydrogen 3.234 N/A GLN 233.A NE2 ASP 245.A OD2 no hydrogen 3.229 N/A GLY 235.A N PRO 187.A O no hydrogen 2.923 N/A ASN 236.A N GLN 233.A O no hydrogen 3.365 N/A SER 238.A N ASN 236.A OD1 no hydrogen 2.573 N/A ASN 241.A ND2 GLU 268.A O no hydrogen 2.740 N/A ASN 242.A N GLN 191.A OE1 no hydrogen 3.034 N/A ASP 245.A N ASN 242.A OD1 no hydrogen 2.835 N/A HIS 246.A N ASN 242.A O no hydrogen 2.783 N/A HIS 246.A ND1 GLU 268.A OE1 no hydrogen 3.035 N/A HIS 246.A ND1 GLU 268.A OE2 no hydrogen 2.615 N/A ASN 247.A N ILE 243.A O no hydrogen 3.052 N/A THR 248.A N GLN 244.A O no hydrogen 3.131 N/A THR 248.A OG1 GLN 244.A O no hydrogen 2.732 N/A ILE 249.A N ASP 245.A O no hydrogen 3.108 N/A TRP 250.A N HIS 246.A O no hydrogen 3.193 N/A GLU 251.A N ASN 247.A O no hydrogen 2.808 N/A GLY 252.A N THR 248.A O no hydrogen 3.034 N/A CYS 253.A N ILE 249.A O no hydrogen 2.784 N/A CYS 253.A SG TYR 218.A O no hydrogen 3.398 N/A CYS 253.A SG ILE 249.A O no hydrogen 3.400 N/A CYS 254.A N TRP 250.A O no hydrogen 3.015 N/A CYS 254.A SG TRP 250.A O no hydrogen 3.275 N/A ARG 255.A N GLU 251.A O no hydrogen 3.130 N/A LEU 256.A N GLY 252.A O no hydrogen 3.322 N/A GLU 257.A N CYS 253.A O no hydrogen 2.950 N/A THR 259.A OG1 GLU 257.A OE2 no hydrogen 3.166 N/A LEU 260.A N GLU 257.A O no hydrogen 2.965 N/A LYS 261.A N PRO 258.A O no hydrogen 2.833 N/A ALA 263.A N LEU 260.A O no hydrogen 3.156 N/A ILE 266.A N LYS 194.A O no hydrogen 2.721 N/A GLY 267.A N LYS 194.A O no hydrogen 3.074 N/A ARG 269.A N ILE 192.A O no hydrogen 3.037 N/A ARG 269.A NH1 PRO 36.A O no hydrogen 3.157 N/A ARG 269.A NH2 PRO 36.A O no hydrogen 3.264 N/A THR 270.A OG1 ASN 241.A OD1 no hydrogen 2.735 N/A GLY 271.A N GLY 190.A O no hydrogen 2.843 N/A ARG 273.A N GLY 188.A O no hydrogen 3.153 N/A ARG 273.A NH1 GLY 188.A O no hydrogen 2.742 N/A ARG 273.A NH1 ILE 231.A O no hydrogen 3.037 N/A ARG 273.A NH2 ILE 231.A O no hydrogen 2.708 N/A VAL 275.A N GLN 186.A O no hydrogen 2.978 N/A ARG 276.A NE GLN 278.A O no hydrogen 2.840 N/A ILE 279.A N GLU 54.A OE2 no hydrogen 3.287 N/A ARG 280.A N TYR 295.A O no hydrogen 2.873 N/A ARG 280.A NE GLU 282.A OE2 no hydrogen 2.812 N/A ARG 280.A NH1 GLN 180.A OE1 no hydrogen 2.606 N/A ARG 280.A NH1 TYR 295.A OH no hydrogen 2.976 N/A ARG 280.A NH2 GLN 180.A OE1 no hydrogen 3.188 N/A GLU 282.A N HIS 293.A O no hydrogen 3.227 N/A GLU 284.A N VAL 291.A O no hydrogen 2.698 N/A LEU 286.A N THR 289.A O no hydrogen 2.925 N/A GLU 290.A N ASP 166.A O no hydrogen 3.217 N/A VAL 291.A N GLU 284.A O no hydrogen 2.741 N/A ILE 292.A N ILE 168.A O no hydrogen 2.929 N/A HIS 293.A N GLU 282.A O no hydrogen 2.941 N/A HIS 293.A NE2 GLU 284.A OE1 no hydrogen 2.445 N/A ASN 294.A N ASN 170.A O no hydrogen 3.021 N/A TYR 295.A N ARG 280.A O no hydrogen 3.196 N/A TYR 295.A OH ASP 182.A OD2 no hydrogen 2.812 N/A GLY 298.A N PRO 274.A O no hydrogen 2.673 N/A TYR 300.A N HIS 297.A O no hydrogen 3.104 N/A THR 303.A OG1 LEU 46.A O no hydrogen 3.227 N/A ILE 304.A N TYR 300.A O no hydrogen 2.995 N/A HIS 305.A ND1 LEU 302.A O no hydrogen 2.897 N/A HIS 305.A NE2 TYR 134.A OH no hydrogen 2.667 N/A GLY 307.A N THR 61.A OG1 no hydrogen 3.052 N/A CYS 308.A N ILE 304.A O no hydrogen 3.275 N/A CYS 308.A SG HIS 297.A NE2 no hydrogen 3.515 N/A CYS 308.A SG ILE 304.A O no hydrogen 3.564 N/A ALA 309.A N HIS 305.A O no hydrogen 2.892 N/A LEU 310.A N TRP 306.A O no hydrogen 3.074 N/A GLU 311.A N GLY 307.A O no hydrogen 3.076 N/A ALA 312.A N CYS 308.A O no hydrogen 3.012 N/A ALA 313.A N ALA 309.A O no hydrogen 2.899 N/A LYS 314.A N LEU 310.A O no hydrogen 2.826 N/A LEU 315.A N GLU 311.A O no hydrogen 3.064 N/A PHE 316.A N ALA 312.A O no hydrogen 2.761 N/A GLY 317.A N ALA 313.A O no hydrogen 2.781 N/A ARG 318.A N LYS 314.A O no hydrogen 3.081 N/A ILE 319.A N LEU 315.A O no hydrogen 3.215 N/A LEU 320.A N PHE 316.A O no hydrogen 3.053 N/A GLU 321.A N GLY 317.A O no hydrogen 3.018 N/A GLU 322.A N ILE 319.A O no hydrogen 3.066 N/A