Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1que_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ALA 3.A O no hydrogen 3.262 N/A THR 1.A OG1.B ALA 19.A O no hydrogen 2.747 N/A ASN 13.A N PRO 135.A O no hydrogen 2.751 N/A LEU 14.A N GLY 134.A O no hydrogen 2.837 N/A TYR 15.A N GLY 134.A O no hydrogen 3.077 N/A ARG 16.A N THR 1.A OG1.B no hydrogen 3.362 N/A ASN 18.A ND2 THR 1.A OG1.A no hydrogen 2.968 N/A ALA 19.A N ARG 16.A O no hydrogen 3.092 N/A PHE 21.A N ILE 132.A O no hydrogen 2.796 N/A GLY 23.A N VAL 130.A O no hydrogen 2.830 N/A VAL 25.A N SER 128.A O no hydrogen 2.880 N/A ILE 26.A N LYS 44.A O no hydrogen 2.759 N/A SER 27.A N LYS 44.A O no hydrogen 3.399 N/A GLU 29.A N HIS 42.A O no hydrogen 2.962 N/A LEU 31.A N VAL 40.A O no hydrogen 2.862 N/A LYS 33.A N PRO 197.A O no hydrogen 2.867 N/A LYS 33.A NZ GLU 203.A OE2 no hydrogen 3.178 N/A GLY 36.A N LYS 33.A O no hydrogen 2.952 N/A ILE 37.A N ASN 198.A OD1 no hydrogen 2.667 N/A GLN 41.A N VAL 99.A O no hydrogen 2.819 N/A HIS 42.A N GLU 29.A O no hydrogen 2.771 N/A HIS 42.A ND1 TYR 201.A OH no hydrogen 2.755 N/A HIS 42.A NE2 ASP 88.A OD2 no hydrogen 2.632 N/A ILE 43.A N LEU 97.A O no hydrogen 2.903 N/A LYS 44.A N SER 27.A O no hydrogen 2.971 N/A LYS 44.A NZ ASP 89.A OD1 no hydrogen 3.345 N/A LYS 44.A NZ ASP 89.A OD2 no hydrogen 2.993 N/A PHE 45.A N ILE 95.A O no hydrogen 2.742 N/A ASP 46.A N LYS 24.A O no hydrogen 2.731 N/A LEU 47.A N LYS 93.A O no hydrogen 2.783 N/A THR 48.A N ASP 46.A OD1 no hydrogen 3.113 N/A THR 48.A OG1 ASP 46.A OD1 no hydrogen 2.803 N/A THR 48.A OG1 ASP 46.A OD2 no hydrogen 3.489 N/A ASN 51.A N TYR 15.A OH no hydrogen 3.069 N/A TYR 54.A OH SER 83.A OG no hydrogen 3.005 N/A TYR 54.A OH THR 84.A O no hydrogen 2.818 N/A TYR 54.A OH THR 94.A O no hydrogen 2.796 N/A ILE 55.A N GLN 58.A OE1 no hydrogen 2.893 N/A GLN 58.A N ILE 55.A O no hydrogen 3.378 N/A GLN 58.A NE2 PRO 11.A O no hydrogen 2.738 N/A GLN 58.A NE2 GLY 137.A O no hydrogen 3.213 N/A SER 59.A N VAL 136.A O no hydrogen 2.908 N/A ILE 60.A N TYR 79.A O no hydrogen 3.022 N/A GLY 61.A N THR 133.A O no hydrogen 2.864 N/A ILE 62.A N ARG 77.A O no hydrogen 2.984 N/A ILE 63.A N LYS 131.A O no hydrogen 3.131 N/A ASP 68.A N LYS 72.A O no hydrogen 2.735 N/A ASN 70.A N ASP 68.A OD1 no hydrogen 3.026 N/A GLY 71.A N ASP 68.A O no hydrogen 2.986 N/A LYS 72.A N ASP 68.A OD1 no hydrogen 2.828 N/A GLU 74.A N GLY 66.A O no hydrogen 3.198 N/A ARG 77.A N ILE 62.A O no hydrogen 3.044 N/A ARG 77.A NH1 GLU 74.A OE1 no hydrogen 2.845 N/A ARG 77.A NH1 LYS 75.A O no hydrogen 2.728 N/A ARG 77.A NH2 GLU 74.A OE1 no hydrogen 3.064 N/A TYR 79.A N ILE 60.A O no hydrogen 2.965 N/A SER 80.A OG GLU 301.A OE2 no hydrogen 2.848 N/A ILE 81.A N GLN 58.A O no hydrogen 2.888 N/A ALA 82.A N SER 96.A O no hydrogen 2.749 N/A SER 83.A OG TYR 54.A OH no hydrogen 3.005 N/A THR 84.A OG1 GLU 174.A OE2 no hydrogen 2.609 N/A ARG 85.A N GLU 56.A OE2 no hydrogen 2.950 N/A ARG 85.A NE GLU 56.A OE1 no hydrogen 3.283 N/A ARG 85.A NE GLU 56.A OE2 no hydrogen 3.043 N/A ARG 85.A NH2 GLU 56.A OE1 no hydrogen 2.724 N/A HIS 86.A N THR 84.A OG1 no hydrogen 3.185 N/A HIS 86.A ND1 ASP 92.A OD1 no hydrogen 2.666 N/A HIS 86.A NE2 ASN 178.A OD1 no hydrogen 2.524 N/A GLY 87.A N THR 84.A O no hydrogen 2.928 N/A VAL 90.A N GLY 87.A O no hydrogen 3.012 N/A ASP 91.A N HIS 86.A O no hydrogen 3.041 N/A ASP 92.A N HIS 86.A O no hydrogen 2.884 N/A LYS 93.A N ASP 91.A OD1 no hydrogen 3.045 N/A ILE 95.A N PHE 45.A O no hydrogen 3.110 N/A SER 96.A N SER 83.A OG no hydrogen 2.955 N/A SER 96.A OG ASP 88.A OD2 no hydrogen 2.673 N/A LEU 97.A N ILE 43.A O no hydrogen 2.852 N/A VAL 99.A N GLN 41.A O no hydrogen 2.880 N/A GLN 101.A N ILE 39.A O no hydrogen 2.783 N/A LEU 102.A N SER 118.A OG no hydrogen 2.755 N/A TYR 104.A N VAL 113.A O no hydrogen 2.848 N/A TYR 104.A OH GLU 108.A OE1 no hydrogen 3.277 N/A VAL 113.A N TYR 104.A O no hydrogen 3.169 N/A GLY 115.A N LEU 102.A O no hydrogen 2.761 N/A CYS 117.A SG ILE 62.A O no hydrogen 3.996 N/A CYS 117.A SG TYR 79.A OH no hydrogen 3.532 N/A THR 119.A N GLY 115.A O no hydrogen 3.063 N/A THR 119.A OG1 GLN 101.A OE1 no hydrogen 3.075 N/A THR 119.A OG1 GLY 115.A O no hydrogen 2.625 N/A TYR 120.A N VAL 116.A O no hydrogen 3.147 N/A LEU 121.A N CYS 117.A O no hydrogen 2.877 N/A THR 122.A N SER 118.A O no hydrogen 2.913 N/A THR 122.A OG1 SER 118.A O no hydrogen 2.805 N/A THR 122.A OG1 THR 119.A O no hydrogen 3.332 N/A THR 122.A OG1 HIS 123.A ND1 no hydrogen 3.257 N/A HIS 123.A N THR 119.A O no hydrogen 3.130 N/A HIS 123.A ND1 THR 119.A O no hydrogen 2.937 N/A ILE 124.A N LEU 121.A O no hydrogen 3.266 N/A GLY 127.A N VAL 25.A O no hydrogen 2.712 N/A SER 128.A N GLU 125.A O no hydrogen 3.252 N/A SER 128.A OG GLU 125.A O no hydrogen 3.009 N/A VAL 130.A N GLY 23.A O no hydrogen 2.725 N/A ILE 132.A N PHE 21.A O no hydrogen 2.750 N/A THR 133.A N GLY 61.A O no hydrogen 3.008 N/A GLY 134.A N TYR 15.A O no hydrogen 2.907 N/A VAL 136.A N SER 59.A O no hydrogen 2.846 N/A GLU 147.A N ASP 145.A OD1 no hydrogen 2.989 N/A ALA 148.A N ASP 145.A O no hydrogen 3.142 N/A ASN 149.A N LYS 255.A O no hydrogen 3.156 N/A VAL 150.A N PHE 186.A O no hydrogen 2.818 N/A ILE 151.A N HIS 257.A O no hydrogen 2.890 N/A MET 152.A N TRP 188.A O no hydrogen 2.819 N/A LEU 153.A N TYR 259.A O no hydrogen 2.785 N/A ALA 154.A N VAL 190.A O no hydrogen 2.960 N/A THR 155.A N CYS 261.A O no hydrogen 3.265 N/A GLY 156.A N GLY 192.A O no hydrogen 3.064 N/A THR 157.A OG1 TYR 303.A OH no hydrogen 2.854 N/A GLY 158.A N THR 155.A O no hydrogen 2.861 N/A ILE 159.A N GLY 156.A O no hydrogen 3.142 N/A ALA 160.A N THR 157.A O no hydrogen 3.012 N/A ARG 163.A N ILE 159.A O no hydrogen 2.798 N/A ARG 163.A NH1 ALA 82.A O no hydrogen 2.653 N/A ARG 163.A NH1 ASP 88.A OD1 no hydrogen 2.866 N/A ARG 163.A NH2 ASP 88.A OD1 no hydrogen 3.243 N/A THR 164.A N ALA 160.A O no hydrogen 3.382 N/A THR 164.A OG1 PRO 161.A O no hydrogen 2.752 N/A TYR 165.A N PRO 161.A O no hydrogen 3.215 N/A TYR 165.A OH MET 140.A O no hydrogen 2.579 N/A LEU 166.A N MET 162.A O no hydrogen 2.936 N/A TRP 167.A N ARG 163.A O no hydrogen 2.882 N/A ARG 168.A N THR 164.A O no hydrogen 3.219 N/A MET 169.A N TYR 165.A O no hydrogen 2.869 N/A PHE 170.A N LEU 166.A O no hydrogen 2.793 N/A LYS 171.A N TRP 167.A O no hydrogen 3.010 N/A LYS 171.A NZ GLU 204.A OE2 no hydrogen 2.772 N/A GLU 174.A N LYS 171.A O no hydrogen 3.107 N/A ARG 175.A N LYS 171.A O no hydrogen 3.044 N/A ARG 175.A NE MET 169.A O no hydrogen 2.935 N/A ARG 175.A NH2 MET 169.A O no hydrogen 3.000 N/A ARG 175.A NH2 PHE 183.A O no hydrogen 2.928 N/A ALA 176.A N ASP 172.A O no hydrogen 3.082 N/A ALA 177.A N ALA 173.A O no hydrogen 3.176 N/A ALA 177.A N GLU 174.A O no hydrogen 2.960 N/A ASN 178.A N GLU 174.A O no hydrogen 2.856 N/A ASN 178.A ND2 GLU 174.A OE1 no hydrogen 2.948 N/A TYR 181.A N ASN 178.A O no hydrogen 2.914 N/A LYS 184.A N PRO 146.A O no hydrogen 2.914 N/A SER 187.A N ASN 215.A O no hydrogen 2.706 N/A SER 187.A OG.A ASN 215.A O no hydrogen 2.758 N/A TRP 188.A N VAL 150.A O no hydrogen 3.015 N/A TRP 188.A NE1 THR 219.A OG1 no hydrogen 2.799 N/A LEU 189.A N ARG 217.A O no hydrogen 2.938 N/A VAL 190.A N MET 152.A O no hydrogen 2.896 N/A PHE 191.A N THR 219.A O no hydrogen 2.758 N/A GLY 192.A N ALA 154.A O no hydrogen 2.834 N/A VAL 193.A N ALA 221.A O no hydrogen 3.047 N/A THR 195.A OG1 ASN 198.A OD1 no hydrogen 2.688 N/A THR 196.A N GLU 225.A OE2 no hydrogen 2.745 N/A THR 196.A OG1 GLU 225.A OE1 no hydrogen 2.683 N/A THR 196.A OG1 GLU 225.A OE2 no hydrogen 3.512 N/A ASN 198.A N THR 195.A O no hydrogen 3.055 N/A ASN 198.A ND2 ILE 37.A O no hydrogen 2.768 N/A ILE 199.A N THR 196.A O no hydrogen 2.895 N/A TYR 201.A OH HIS 42.A ND1 no hydrogen 2.755 N/A LYS 202.A N ILE 199.A O no hydrogen 3.240 N/A LYS 202.A NZ GLU 206.A OE1 no hydrogen 2.925 N/A LYS 202.A NZ GLU 206.A OE2 no hydrogen 3.274 N/A LEU 205.A N TYR 201.A O no hydrogen 3.016 N/A GLU 206.A N LYS 202.A O no hydrogen 3.003 N/A GLU 207.A N GLU 203.A O no hydrogen 2.982 N/A ILE 208.A N GLU 204.A O no hydrogen 3.137 N/A GLN 209.A N LEU 205.A O no hydrogen 3.028 N/A GLN 210.A N GLU 206.A O no hydrogen 3.053 N/A LYS 211.A N GLU 207.A O no hydrogen 3.051 N/A LYS 211.A NZ ASP 172.A OD1 no hydrogen 3.046 N/A LYS 211.A NZ ASP 172.A OD2 no hydrogen 3.510 N/A TYR 212.A N ILE 208.A O no hydrogen 2.838 N/A ASN 215.A N TYR 212.A O no hydrogen 3.052 N/A ASN 215.A ND2 GLY 185.A O no hydrogen 2.821 N/A PHE 216.A N TYR 212.A O no hydrogen 3.018 N/A ARG 217.A N SER 187.A O no hydrogen 2.838 N/A ARG 217.A NH1 GLN 246.A OE1 no hydrogen 3.403 N/A THR 219.A N LEU 189.A O no hydrogen 2.822 N/A TYR 220.A OH GLU 206.A OE2 no hydrogen 2.866 N/A ALA 221.A N PHE 191.A O no hydrogen 2.962 N/A ILE 222.A N GLN 226.A OE1 no hydrogen 3.020 N/A SER 223.A N VAL 193.A O no hydrogen 3.275 N/A ARG 224.A N PRO 194.A O no hydrogen 2.896 N/A GLU 225.A N ILE 222.A O no hydrogen 3.240 N/A GLN 226.A N ILE 222.A O no hydrogen 2.850 N/A ASN 228.A N GLY 232.A O no hydrogen 2.838 N/A ASN 228.A ND2 ASP 238.A OD1 no hydrogen 3.261 N/A ASN 228.A ND2 ASP 238.A OD2 no hydrogen 3.204 N/A GLY 231.A N ASN 228.A O no hydrogen 3.182 N/A GLY 232.A N ASN 228.A OD1 no hydrogen 2.979 N/A MET 234.A N GLN 226.A O no hydrogen 3.024 N/A TYR 235.A N ASP 238.A OD2 no hydrogen 2.835 N/A GLN 237.A N GLN 237.A OE1.A no hydrogen 2.825 N/A ASP 238.A N TYR 235.A O no hydrogen 2.999 N/A ARG 239.A N TYR 235.A O no hydrogen 3.426 N/A ARG 239.A NE TYR 220.A O no hydrogen 2.699 N/A ARG 239.A NH1 GLU 242.A OE1 no hydrogen 2.806 N/A ARG 239.A NH2 TYR 220.A O no hydrogen 3.334 N/A ARG 239.A NH2 GLN 226.A OE1 no hydrogen 3.070 N/A VAL 240.A N ILE 236.A O no hydrogen 3.021 N/A ALA 241.A N GLN 237.A O no hydrogen 2.992 N/A GLU 242.A N ASP 238.A O no hydrogen 2.935 N/A HIS 243.A N ARG 239.A O no hydrogen 3.061 N/A HIS 243.A N VAL 240.A O no hydrogen 3.204 N/A HIS 243.A ND1 ARG 239.A O no hydrogen 2.948 N/A ALA 244.A N ALA 241.A O no hydrogen 3.221 N/A LEU 247.A N HIS 243.A O no hydrogen 2.920 N/A TRP 248.A N ALA 244.A O no hydrogen 2.901 N/A TRP 248.A NE1 GLU 281.A OE1 no hydrogen 3.120 N/A GLN 249.A N ASP 245.A O no hydrogen 2.953 N/A LEU 250.A N GLN 246.A O no hydrogen 3.077 N/A ILE 251.A N LEU 247.A O no hydrogen 2.915 N/A LYS 252.A N TRP 248.A O no hydrogen 3.132 N/A LYS 252.A NZ GLU 281.A OE1 no hydrogen 2.940 N/A LYS 252.A NZ GLU 281.A OE2 no hydrogen 3.062 N/A ASN 253.A N LEU 250.A O no hydrogen 3.090 N/A LYS 255.A N ASN 253.A OD1 no hydrogen 2.867 N/A LYS 255.A NZ ASP 145.A OD2 no hydrogen 2.975 N/A THR 256.A N ASN 253.A O no hydrogen 3.002 N/A THR 256.A OG1 ASN 149.A OD1 no hydrogen 3.441 N/A THR 256.A OG1 LEU 250.A O no hydrogen 2.572 N/A HIS 257.A N ASN 149.A O no hydrogen 2.886 N/A THR 258.A N ARG 297.A O no hydrogen 2.952 N/A TYR 259.A N ILE 151.A O no hydrogen 2.749 N/A TYR 259.A OH LEU 141.A O no hydrogen 2.617 N/A ILE 260.A N HIS 299.A O no hydrogen 2.763 N/A CYS 261.A N LEU 153.A O no hydrogen 3.060 N/A CYS 261.A SG GLU 301.A O no hydrogen 3.245 N/A CYS 261.A SG GLU 301.A OE2 no hydrogen 3.860 N/A GLY 262.A N GLU 301.A O no hydrogen 3.345 N/A ARG 264.A N TYR 303.A OXT no hydrogen 2.674 N/A ILE 270.A N MET 266.A O no hydrogen 3.321 N/A ASP 271.A N GLU 267.A O no hydrogen 2.980 N/A ALA 272.A N GLU 268.A O no hydrogen 3.070 N/A ALA 273.A N GLY 269.A O no hydrogen 3.257 N/A LEU 274.A N ILE 270.A O no hydrogen 3.101 N/A SER 275.A N ASP 271.A O no hydrogen 2.785 N/A SER 275.A OG.A ASP 271.A O no hydrogen 2.908 N/A ALA 276.A N ALA 272.A O no hydrogen 3.290 N/A ALA 277.A N ALA 273.A O no hydrogen 3.300 N/A ALA 278.A N LEU 274.A O no hydrogen 2.880 N/A ALA 279.A N SER 275.A O no hydrogen 2.882 N/A LYS 280.A N ALA 277.A O no hydrogen 3.305 N/A LYS 280.A NZ ASP 245.A OD1 no hydrogen 2.948 N/A LYS 280.A NZ ASP 245.A OD2 no hydrogen 3.130 N/A GLU 281.A N ALA 278.A O no hydrogen 3.049 N/A GLY 282.A N ALA 279.A O no hydrogen 2.989 N/A VAL 283.A N ALA 278.A O no hydrogen 3.273 N/A THR 284.A OG1 ASP 287.A OD2 no hydrogen 2.653 N/A TRP 285.A NE1 ASP 271.A OD1 no hydrogen 2.933 N/A ASP 287.A N THR 284.A O no hydrogen 3.046 N/A TYR 288.A N THR 284.A O no hydrogen 3.023 N/A GLN 289.A N TRP 285.A O no hydrogen 2.793 N/A LYS 290.A N SER 286.A O no hydrogen 3.364 N/A LYS 290.A NZ SER 286.A O no hydrogen 3.281 N/A LYS 290.A NZ ASP 287.A OD1 no hydrogen 3.456 N/A ASP 291.A N ASP 287.A O no hydrogen 3.330 N/A LEU 292.A N TYR 288.A O no hydrogen 2.946 N/A LYS 293.A N GLN 289.A O no hydrogen 2.881 N/A LYS 294.A N LYS 290.A O no hydrogen 2.911 N/A ALA 295.A N ASP 291.A O no hydrogen 2.929 N/A GLY 296.A N LYS 293.A O no hydrogen 2.942 N/A ARG 297.A N LEU 292.A O no hydrogen 2.798 N/A ARG 297.A NH1 ASN 253.A O no hydrogen 2.889 N/A ARG 297.A NH1 THR 256.A O no hydrogen 3.099 N/A HIS 299.A N THR 258.A O no hydrogen 2.762 N/A HIS 299.A ND1 THR 258.A O no hydrogen 3.118 N/A VAL 300.A N GLU 139.A OE2 no hydrogen 3.087 N/A GLU 301.A N ILE 260.A O no hydrogen 2.815 N/A THR 302.A OG1 GLU 267.A OE2 no hydrogen 2.901 N/A TYR 303.A N GLY 262.A O no hydrogen 3.000 N/A TYR 303.A OH THR 157.A OG1 no hydrogen 2.854 N/A