Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ny1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N THR 98.A O no hydrogen 3.101 N/A LEU 4.A N VAL 96.A O no hydrogen 3.105 N/A GLU 9.A N CYS 93.A O no hydrogen 2.952 N/A PHE 11.A N GLY 91.A O no hydrogen 3.038 N/A MET 13.A N GLY 89.A O no hydrogen 3.114 N/A TRP 14.A N ASN 12.A OD1 no hydrogen 3.042 N/A LYS 15.A N ASN 12.A O no hydrogen 3.090 N/A MET 18.A N ASN 16.A OD1 no hydrogen 3.073 N/A VAL 19.A N ASN 16.A O no hydrogen 2.971 N/A GLN 21.A N ASP 17.A O no hydrogen 3.019 N/A GLN 21.A NE2 ASP 25.A OD1 no hydrogen 3.557 N/A MET 22.A N MET 18.A O no hydrogen 3.004 N/A HIS 23.A N VAL 19.A O no hydrogen 2.919 N/A GLU 24.A N GLU 20.A O no hydrogen 3.098 N/A ASP 25.A N GLN 21.A O no hydrogen 2.966 N/A ILE 26.A N MET 22.A O no hydrogen 2.945 N/A CYS 27.A N HIS 23.A O no hydrogen 3.022 N/A CYS 27.A SG HIS 23.A O no hydrogen 3.408 N/A SER 28.A N GLU 24.A O no hydrogen 3.129 N/A SER 28.A OG GLU 24.A O no hydrogen 2.922 N/A LEU 29.A N ASP 25.A O no hydrogen 3.007 N/A TRP 30.A N ILE 26.A O no hydrogen 3.057 N/A ASP 31.A N CYS 27.A O no hydrogen 3.150 N/A GLN 32.A N SER 28.A O no hydrogen 3.140 N/A LEU 34.A N TRP 30.A O no hydrogen 2.815 N/A LYS 35.A NZ ASP 31.A O no hydrogen 2.872 N/A LYS 35.A NZ GLN 32.A O no hydrogen 3.562 N/A CYS 37.A N MET 247.A O no hydrogen 2.750 N/A VAL 38.A N MET 247.A O no hydrogen 3.457 N/A LYS 39.A N ILE 55.A O no hydrogen 2.903 N/A LEU 40.A N LYS 245.A O no hydrogen 2.695 N/A THR 41.A N SER 53.A O no hydrogen 3.064 N/A GLY 46.A N CYS 44.A O no hydrogen 2.497 N/A ASN 51.A N LEU 43.A O no hydrogen 2.918 N/A SER 53.A N THR 41.A O no hydrogen 2.824 N/A ILE 55.A N LYS 39.A O no hydrogen 3.044 N/A GLN 57.A N CYS 37.A O no hydrogen 3.173 N/A GLN 57.A NE2 PRO 36.A O no hydrogen 3.251 N/A CYS 59.A SG LYS 35.A O no hydrogen 3.704 N/A LYS 61.A NZ GLU 206.A OE2 no hydrogen 2.693 N/A LYS 61.A NZ ALA 249.A O no hydrogen 2.861 N/A LYS 61.A NZ PRO 250.A O no hydrogen 3.455 N/A ILE 69.A N ILE 105.A O no hydrogen 2.834 N/A TYR 71.A N THR 102.A OG1 no hydrogen 2.982 N/A TYR 71.A OH ASP 25.A OD2 no hydrogen 2.591 N/A PHE 77.A N PRO 74.A O no hydrogen 2.908 N/A ALA 78.A N VAL 302.A O no hydrogen 2.816 N/A LEU 80.A N LYS 300.A O no hydrogen 2.870 N/A LYS 81.A N SER 97.A O no hydrogen 2.766 N/A CYS 82.A N LYS 298.A O no hydrogen 2.838 N/A ASN 83.A N ASN 95.A O no hydrogen 2.716 N/A ASN 83.A ND2 ASN 95.A OD1 no hydrogen 3.219 N/A ASN 83.A ND2 SER 97.A OG no hydrogen 3.426 N/A LYS 85.A NZ GLU 122.A OE2 no hydrogen 3.557 N/A THR 86.A N ASN 84.A OD1 no hydrogen 3.115 N/A PHE 87.A N ASN 84.A O no hydrogen 3.251 N/A ASN 88.A ND2 THR 90.A O no hydrogen 3.496 N/A THR 90.A N ASN 88.A OD1 no hydrogen 2.771 N/A GLY 91.A N PHE 11.A O no hydrogen 3.102 N/A CYS 93.A N GLU 9.A O no hydrogen 2.706 N/A CYS 93.A SG ASN 95.A O no hydrogen 3.382 N/A SER 97.A N LYS 81.A O no hydrogen 2.892 N/A THR 98.A N VAL 2.A O no hydrogen 2.904 N/A VAL 99.A N ILE 79.A O no hydrogen 3.032 N/A THR 102.A N TYR 71.A O no hydrogen 2.769 N/A THR 102.A OG1 HIS 103.A O no hydrogen 2.987 N/A HIS 103.A N TYR 299.A OH no hydrogen 2.982 N/A HIS 103.A ND1 TYR 299.A OH no hydrogen 2.879 N/A HIS 103.A NE2 GLU 295.A OE1 no hydrogen 2.972 N/A ILE 105.A N ILE 69.A O no hydrogen 2.964 N/A VAL 108.A N ARG 106.A O no hydrogen 2.849 N/A SER 110.A OG LEU 113.A O no hydrogen 2.917 N/A SER 111.A N TRP 200.A O no hydrogen 2.881 N/A SER 111.A OG GLU 195.A O no hydrogen 2.781 N/A SER 111.A OG THR 198.A O no hydrogen 2.899 N/A GLN 112.A NE2 ILE 196.A O no hydrogen 3.126 N/A GLN 112.A NE2 VAL 197.A O no hydrogen 3.053 N/A LEU 113.A N SER 111.A O no hydrogen 2.730 N/A LEU 114.A N GLY 264.A O no hydrogen 2.942 N/A ASN 116.A N ASN 261.A O no hydrogen 2.773 N/A GLY 117.A N THR 263.A OG1 no hydrogen 2.957 N/A SER 118.A N GLU 295.A OE2 no hydrogen 2.822 N/A SER 118.A OG GLU 295.A OE1 no hydrogen 2.817 N/A ALA 120.A N LEU 142.A O no hydrogen 2.800 N/A VAL 125.A N GLN 141.A O no hydrogen 2.992 N/A ARG 127.A N ILE 139.A O no hydrogen 2.887 N/A ASN 130.A N SER 128.A OG no hydrogen 3.012 N/A THR 132.A N ASN 130.A OD1 no hydrogen 3.198 N/A THR 132.A OG1 ASN 130.A OD1 no hydrogen 3.544 N/A ASP 133.A N ASN 130.A O no hydrogen 3.153 N/A ALA 135.A N ASP 133.A OD2 no hydrogen 2.976 N/A LYS 136.A N ASP 133.A O no hydrogen 3.194 N/A THR 137.A OG1 ASP 290.A OD2 no hydrogen 3.502 N/A ILE 138.A N LEU 267.A O no hydrogen 2.720 N/A ILE 139.A N ARG 127.A O no hydrogen 2.792 N/A VAL 140.A N LEU 265.A O no hydrogen 2.827 N/A GLN 141.A N VAL 125.A O no hydrogen 2.779 N/A GLN 141.A NE2 SER 118.A O no hydrogen 3.384 N/A LEU 142.A N THR 263.A O no hydrogen 2.963 N/A ASN 143.A ND2 GLU 122.A O no hydrogen 2.869 N/A THR 144.A OG1 ASN 143.A OD1 no hydrogen 3.198 N/A VAL 146.A N ILE 262.A O no hydrogen 3.072 N/A ILE 148.A N SER 260.A O no hydrogen 2.930 N/A ASN 149.A N ASN 157.A O no hydrogen 2.847 N/A CYS 150.A N CYS 258.A O no hydrogen 2.702 N/A THR 151.A N HIS 155.A O no hydrogen 2.910 N/A THR 151.A OG1 ILE 256.A O no hydrogen 3.434 N/A GLY 152.A N ILE 256.A O no hydrogen 2.846 N/A ALA 153.A N THR 151.A OG1 no hydrogen 3.063 N/A GLY 154.A N THR 151.A O no hydrogen 3.110 N/A CYS 156.A N LEU 229.A O no hydrogen 2.916 N/A ASN 157.A N ASN 149.A O no hydrogen 2.592 N/A ILE 158.A N ILE 227.A O no hydrogen 3.000 N/A ARG 160.A N ASP 225.A O no hydrogen 2.878 N/A TRP 163.A N ALA 159.A O no hydrogen 3.054 N/A TRP 163.A NE1 LEU 215.A O no hydrogen 2.923 N/A ASN 164.A N ARG 160.A O no hydrogen 2.869 N/A ASN 165.A N ALA 161.A O no hydrogen 3.031 N/A THR 166.A N LYS 162.A O no hydrogen 3.038 N/A LEU 167.A N TRP 163.A O no hydrogen 2.981 N/A LYS 168.A N ASN 164.A O no hydrogen 3.106 N/A GLN 169.A N ASN 165.A O no hydrogen 3.287 N/A ILE 170.A N THR 166.A O no hydrogen 2.911 N/A ALA 171.A N LEU 167.A O no hydrogen 2.865 N/A SER 172.A N LYS 168.A O no hydrogen 3.048 N/A SER 172.A OG LYS 168.A O no hydrogen 2.641 N/A LYS 173.A N GLN 169.A O no hydrogen 3.366 N/A LYS 173.A NZ GLU 123.A OE2 no hydrogen 2.629 N/A LYS 173.A NZ GLU 176.A OE1 no hydrogen 3.454 N/A LEU 174.A N ILE 170.A O no hydrogen 2.896 N/A ARG 175.A N ALA 171.A O no hydrogen 3.009 N/A ARG 175.A NH1 LYS 182.A O no hydrogen 2.789 N/A GLU 176.A N SER 172.A O no hydrogen 3.182 N/A GLN 177.A N LEU 174.A O no hydrogen 3.095 N/A PHE 178.A N LEU 174.A O no hydrogen 2.856 N/A GLY 179.A N ARG 175.A O no hydrogen 2.758 N/A LYS 182.A N GLY 179.A O no hydrogen 3.077 N/A LYS 182.A NZ GLU 279.A OE1 no hydrogen 2.761 N/A THR 183.A N GLU 277.A O no hydrogen 3.038 N/A ILE 184.A N TRP 220.A O no hydrogen 3.045 N/A ILE 185.A N GLU 279.A O no hydrogen 2.973 N/A PHE 186.A N SER 218.A O no hydrogen 2.866 N/A LYS 187.A N PHE 281.A O no hydrogen 2.901 N/A GLY 191.A N SER 189.A OG no hydrogen 3.271 N/A GLU 195.A N GLU 195.A OE2 no hydrogen 2.708 N/A ILE 196.A N ASP 193.A O no hydrogen 2.874 N/A VAL 197.A N ASP 193.A O no hydrogen 3.019 N/A THR 198.A N PRO 194.A O no hydrogen 3.268 N/A THR 198.A OG1 PRO 194.A O no hydrogen 2.853 N/A HIS 199.A N CYS 210.A O no hydrogen 2.910 N/A HIS 199.A ND1 SER 111.A O no hydrogen 2.897 N/A TRP 200.A N SER 111.A OG no hydrogen 3.005 N/A PHE 201.A N PHE 208.A O no hydrogen 3.213 N/A CYS 203.A N GLU 206.A O no hydrogen 2.860 N/A GLU 206.A N CYS 203.A O no hydrogen 2.986 N/A PHE 208.A N PHE 201.A O no hydrogen 2.784 N/A TYR 209.A N ARG 232.A O no hydrogen 2.811 N/A TYR 209.A OH GLU 195.A OE1 no hydrogen 2.624 N/A CYS 210.A N HIS 199.A O no hydrogen 2.961 N/A CYS 210.A SG LEU 229.A O no hydrogen 3.327 N/A CYS 210.A SG PRO 230.A O no hydrogen 2.955 N/A ASN 211.A N PRO 230.A O no hydrogen 2.985 N/A SER 212.A OG GLN 112.A OE1 no hydrogen 2.550 N/A THR 213.A N ASN 211.A OD1 no hydrogen 3.130 N/A THR 213.A OG1 GLN 188.A OE1 no hydrogen 2.755 N/A THR 213.A OG1 ASN 211.A OD1 no hydrogen 2.973 N/A GLN 214.A NE2 THR 228.A O no hydrogen 2.780 N/A LEU 215.A N SER 212.A O no hydrogen 3.020 N/A PHE 216.A N SER 212.A O no hydrogen 3.295 N/A PHE 216.A N THR 213.A O no hydrogen 3.157 N/A SER 218.A N PHE 186.A O no hydrogen 3.321 N/A TRP 220.A N ILE 184.A O no hydrogen 2.692 N/A TRP 220.A NE1 SER 218.A OG no hydrogen 2.892 N/A ASP 225.A N GLY 223.A O no hydrogen 2.685 N/A ILE 227.A N ILE 158.A O no hydrogen 2.712 N/A THR 228.A OG1 ASN 157.A OD1 no hydrogen 3.038 N/A LEU 229.A N CYS 156.A O no hydrogen 2.811 N/A CYS 231.A N GLY 154.A O no hydrogen 2.612 N/A ARG 232.A N TYR 209.A O no hydrogen 3.050 N/A LYS 234.A N PHE 207.A O no hydrogen 3.137 N/A GLN 235.A NE2 ILE 233.A O no hydrogen 3.695 N/A ILE 237.A N ALA 246.A O no hydrogen 2.753 N/A ASN 238.A N GLU 195.A OE1 no hydrogen 2.924 N/A ASN 238.A ND2 GLU 195.A OE2 no hydrogen 2.981 N/A MET 239.A N GLY 244.A O no hydrogen 3.002 N/A LYS 245.A N LEU 40.A O no hydrogen 2.783 N/A ALA 246.A N ILE 237.A O no hydrogen 2.825 N/A MET 247.A N VAL 38.A O no hydrogen 2.870 N/A TYR 248.A N GLN 235.A O no hydrogen 2.766 N/A GLN 255.A N SER 253.A OG no hydrogen 3.174 N/A ARG 257.A NH2 ILE 256.A O no hydrogen 3.155 N/A CYS 258.A N CYS 150.A O no hydrogen 2.973 N/A CYS 258.A SG ARG 257.A O no hydrogen 3.306 N/A SER 260.A N ILE 148.A O no hydrogen 2.968 N/A ASN 261.A N ASN 116.A OD1 no hydrogen 3.089 N/A ILE 262.A N VAL 146.A O no hydrogen 2.642 N/A THR 263.A N LEU 114.A O no hydrogen 2.975 N/A LEU 265.A N VAL 140.A O no hydrogen 2.956 N/A LEU 266.A N GLN 112.A O no hydrogen 2.832 N/A LEU 267.A N ILE 138.A O no hydrogen 2.880 N/A THR 268.A N ARG 282.A O no hydrogen 2.895 N/A ARG 269.A NE GLU 279.A OE2 no hydrogen 3.367 N/A ARG 269.A NH1 THR 132.A O no hydrogen 3.519 N/A ARG 269.A NH2 GLU 279.A OE2 no hydrogen 3.471 N/A ASP 270.A N ILE 280.A O no hydrogen 2.867 N/A SER 278.A OG ASN 276.A OD1 no hydrogen 3.320 N/A GLU 279.A N THR 183.A O no hydrogen 2.974 N/A PHE 281.A N ILE 185.A O no hydrogen 2.775 N/A ARG 282.A N THR 268.A O no hydrogen 2.865 N/A ARG 282.A NE ASP 270.A OD1 no hydrogen 3.241 N/A ARG 282.A NE ASP 270.A OD2 no hydrogen 2.959 N/A ARG 282.A NH1 GLN 188.A O no hydrogen 2.963 N/A ARG 282.A NH2 ASP 270.A OD1 no hydrogen 3.038 N/A GLY 284.A N LEU 266.A O no hydrogen 2.749 N/A ARG 289.A N ASP 287.A OD1 no hydrogen 3.124 N/A ARG 289.A NH1 ASP 287.A OD2 no hydrogen 3.170 N/A ASP 290.A N ASP 287.A O no hydrogen 2.967 N/A ASN 291.A ND2 ASP 287.A O no hydrogen 3.670 N/A TRP 292.A N MET 288.A O no hydrogen 3.060 N/A TRP 292.A NE1 HIS 23.A ND1 no hydrogen 3.185 N/A ARG 293.A N ARG 289.A O no hydrogen 2.831 N/A ARG 293.A NH2 TRP 14.A O no hydrogen 3.537 N/A SER 294.A N ASP 290.A O no hydrogen 3.123 N/A SER 294.A OG ASN 291.A O no hydrogen 2.539 N/A GLU 295.A N TRP 292.A O no hydrogen 3.023 N/A LEU 296.A N TRP 292.A O no hydrogen 2.954 N/A TYR 297.A N ARG 293.A O no hydrogen 2.997 N/A TYR 299.A N LEU 296.A O no hydrogen 2.928 N/A TYR 299.A OH HIS 103.A ND1 no hydrogen 2.879 N/A LYS 300.A N LEU 80.A O no hydrogen 2.999 N/A LYS 300.A NZ GLU 9.A OE1 no hydrogen 2.543 N/A LYS 300.A NZ ASN 10.A O no hydrogen 2.912 N/A VAL 302.A N ALA 78.A O no hydrogen 2.826 N/A ILE 304.A N GLY 76.A O no hydrogen 3.150 N/A