Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xck_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ THR 73.A O no hydrogen 3.183 N/A LYS 2.A NZ GLU 26.A OE2 no hydrogen 2.781 N/A ARG 3.A N ASP 6.A OD2 no hydrogen 2.893 N/A ARG 3.A NE GLU 5.A OE1 no hydrogen 3.218 N/A ASP 6.A N ARG 3.A O no hydrogen 3.008 N/A PHE 7.A N PRO 4.A O no hydrogen 3.150 N/A LYS 8.A N ARG 25.A O no hydrogen 2.801 N/A GLY 10.A N LEU 23.A O no hydrogen 2.654 N/A LEU 13.A N THR 21.A O no hydrogen 2.606 N/A GLY 14.A N THR 21.A O no hydrogen 3.310 N/A GLY 16.A N SER 19.A O no hydrogen 3.318 N/A THR 20.A N ILE 37.A O no hydrogen 3.100 N/A THR 21.A N GLY 14.A O no hydrogen 2.748 N/A VAL 22.A N ILE 35.A O no hydrogen 2.882 N/A LEU 23.A N LYS 11.A O no hydrogen 2.771 N/A ALA 24.A N TYR 33.A O no hydrogen 2.820 N/A ARG 25.A N LYS 8.A O no hydrogen 2.889 N/A ARG 25.A NH1 SER 30.A O no hydrogen 2.500 N/A GLU 26.A N ARG 31.A O no hydrogen 2.880 N/A LEU 27.A N ASP 6.A O no hydrogen 2.945 N/A THR 29.A N GLU 26.A O no hydrogen 3.383 N/A THR 29.A OG1 GLU 26.A OE1 no hydrogen 2.437 N/A SER 30.A N GLU 26.A O no hydrogen 2.751 N/A ARG 31.A N THR 29.A OG1 no hydrogen 3.089 N/A TYR 33.A N ALA 24.A O no hydrogen 2.849 N/A ALA 34.A N LEU 84.A O no hydrogen 2.973 N/A ILE 35.A N VAL 22.A O no hydrogen 2.841 N/A LYS 36.A N PHE 82.A O no hydrogen 2.905 N/A LYS 36.A NZ GLU 55.A OE2 no hydrogen 2.722 N/A ILE 37.A N THR 20.A O no hydrogen 2.683 N/A LEU 38.A N LEU 80.A O no hydrogen 2.941 N/A GLU 39.A N PHE 18.A O no hydrogen 3.494 N/A LYS 40.A N GLU 78.A O no hydrogen 2.760 N/A LYS 40.A NZ GLN 75.A OE1 no hydrogen 2.812 N/A LYS 40.A NZ ASP 76.A O no hydrogen 2.540 N/A ILE 43.A N GLU 39.A O no hydrogen 3.170 N/A ILE 44.A N LYS 40.A O no hydrogen 2.978 N/A LYS 45.A N ARG 41.A O no hydrogen 2.883 N/A GLU 46.A N HIS 42.A O no hydrogen 2.946 N/A ASN 47.A N ILE 44.A O no hydrogen 3.090 N/A LYS 48.A N ILE 43.A O no hydrogen 2.745 N/A VAL 52.A N LYS 48.A O no hydrogen 2.967 N/A THR 53.A N VAL 49.A O no hydrogen 3.017 N/A THR 53.A OG1 VAL 49.A O no hydrogen 2.734 N/A ARG 54.A N PRO 50.A O no hydrogen 2.894 N/A GLU 55.A N TYR 51.A O no hydrogen 2.908 N/A ARG 56.A N VAL 52.A O no hydrogen 3.124 N/A ASP 57.A N THR 53.A O no hydrogen 3.061 N/A VAL 58.A N ARG 54.A O no hydrogen 2.880 N/A MET 59.A N GLU 55.A O no hydrogen 3.080 N/A SER 60.A N ARG 56.A O no hydrogen 3.047 N/A SER 60.A OG ASP 57.A O no hydrogen 3.029 N/A ARG 61.A N VAL 58.A O no hydrogen 3.026 N/A ARG 61.A NH2 LYS 124.A O no hydrogen 3.054 N/A LEU 62.A N MET 59.A O no hydrogen 3.390 N/A ASP 63.A N TYR 120.A OH no hydrogen 2.904 N/A PHE 66.A N HIS 64.A ND1 no hydrogen 3.128 N/A PHE 67.A N HIS 64.A O no hydrogen 3.190 N/A VAL 68.A N ILE 146.A O no hydrogen 2.996 N/A LYS 69.A N SER 85.A OG no hydrogen 2.891 N/A TYR 71.A N GLY 83.A O no hydrogen 2.879 N/A PHE 74.A N TYR 81.A O no hydrogen 3.092 N/A ASP 76.A N LYS 79.A O no hydrogen 2.841 N/A GLU 78.A N ASP 76.A OD1 no hydrogen 3.159 N/A LYS 79.A N ASP 76.A OD1 no hydrogen 2.693 N/A LEU 80.A N LEU 38.A O no hydrogen 2.812 N/A TYR 81.A N PHE 74.A O no hydrogen 2.769 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 2.536 N/A PHE 82.A N LYS 36.A O no hydrogen 2.800 N/A GLY 83.A N PHE 72.A O no hydrogen 2.724 N/A LEU 84.A N ALA 34.A O no hydrogen 2.868 N/A SER 85.A N LYS 69.A O no hydrogen 3.048 N/A LYS 88.A NZ GLU 140.A OE1 no hydrogen 3.187 N/A ASN 89.A N LEU 138.A O no hydrogen 2.988 N/A ASN 89.A ND2 ASN 139.A O no hydrogen 2.860 N/A ASN 89.A ND2 GLU 140.A O no hydrogen 3.495 N/A GLY 90.A N ALA 87.A O no hydrogen 3.300 N/A LEU 92.A N ILE 136.A O no hydrogen 2.861 N/A LEU 93.A N PRO 133.A O no hydrogen 3.406 N/A LYS 94.A N GLU 91.A O no hydrogen 2.920 N/A LYS 94.A NZ ASN 89.A O no hydrogen 2.611 N/A LYS 94.A NZ TYR 95.A OH no hydrogen 3.220 N/A ILE 96.A N LEU 92.A O no hydrogen 3.054 N/A ARG 97.A N LEU 93.A O no hydrogen 3.041 N/A LYS 98.A N LYS 94.A O no hydrogen 2.988 N/A ILE 99.A N TYR 95.A O no hydrogen 3.098 N/A SER 101.A OG VAL 192.A O no hydrogen 3.523 N/A PHE 102.A N LEU 191.A O no hydrogen 2.815 N/A CYS 106.A N ASP 103.A OD1 no hydrogen 2.760 N/A CYS 106.A SG ASP 103.A OD1 no hydrogen 3.336 N/A CYS 106.A SG LYS 273.A O no hydrogen 3.333 N/A THR 107.A N ASP 103.A O no hydrogen 3.024 N/A THR 107.A OG1 PHE 102.A O no hydrogen 3.511 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.942 N/A ARG 108.A N GLU 104.A O no hydrogen 2.977 N/A ARG 108.A NE PHE 257.A O no hydrogen 2.833 N/A ARG 108.A NH2 GLU 104.A OE2 no hydrogen 3.147 N/A ARG 108.A NH2 PHE 257.A O no hydrogen 3.490 N/A PHE 109.A N THR 105.A O no hydrogen 3.060 N/A TYR 110.A N CYS 106.A O no hydrogen 3.057 N/A TYR 110.A OH MET 142.A O no hydrogen 2.495 N/A THR 111.A N THR 107.A O no hydrogen 2.857 N/A THR 111.A OG1 THR 107.A O no hydrogen 2.816 N/A ALA 112.A N ARG 108.A O no hydrogen 2.968 N/A GLU 113.A N PHE 109.A O no hydrogen 3.107 N/A ILE 114.A N TYR 110.A O no hydrogen 3.077 N/A VAL 115.A N THR 111.A O no hydrogen 2.735 N/A SER 116.A N ALA 112.A O no hydrogen 2.840 N/A ALA 117.A N GLU 113.A O no hydrogen 2.984 N/A LEU 118.A N ILE 114.A O no hydrogen 2.897 N/A GLU 119.A N VAL 115.A O no hydrogen 2.899 N/A TYR 120.A N SER 116.A O no hydrogen 3.358 N/A LEU 121.A N ALA 117.A O no hydrogen 2.918 N/A HIS 122.A N LEU 118.A O no hydrogen 2.545 N/A HIS 122.A NE2 ASP 180.A OD2 no hydrogen 2.821 N/A GLY 123.A N GLU 119.A O no hydrogen 2.970 N/A LYS 124.A N TYR 120.A O no hydrogen 3.196 N/A LYS 124.A N LEU 121.A O no hydrogen 3.044 N/A GLY 125.A N HIS 122.A O no hydrogen 2.919 N/A ILE 126.A N LEU 121.A O no hydrogen 3.345 N/A ILE 127.A N LYS 153.A O no hydrogen 2.933 N/A HIS 128.A N ASP 180.A OD2 no hydrogen 2.872 N/A ARG 129.A N ASP 180.A OD1 no hydrogen 2.974 N/A ARG 129.A NE THR 151.A O no hydrogen 2.784 N/A ARG 129.A NH2 THR 151.A O no hydrogen 2.948 N/A LYS 132.A NZ THR 161.A OG1 no hydrogen 2.574 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.654 N/A ASN 135.A N LYS 132.A O no hydrogen 3.015 N/A ASN 135.A ND2 ASP 148.A OD2 no hydrogen 3.391 N/A ILE 136.A N PRO 133.A O no hydrogen 3.380 N/A LEU 137.A N GLN 145.A O no hydrogen 2.765 N/A LEU 138.A N GLY 90.A O no hydrogen 2.649 N/A ASN 139.A N HIS 143.A O no hydrogen 2.876 N/A ASP 141.A N ASN 139.A OD1 no hydrogen 2.883 N/A MET 142.A N ASN 139.A O no hydrogen 2.844 N/A HIS 143.A N ASN 139.A OD1 no hydrogen 3.145 N/A HIS 143.A ND1 GLU 113.A OE2 no hydrogen 2.717 N/A ILE 144.A N GLU 113.A OE1 no hydrogen 3.058 N/A GLN 145.A N LEU 137.A O no hydrogen 2.700 N/A ILE 146.A N PHE 66.A O no hydrogen 2.878 N/A THR 147.A N ASN 135.A O no hydrogen 2.932 N/A ALA 152.A N PHE 149.A O no hydrogen 3.243 N/A LYS 153.A N ILE 127.A O no hydrogen 2.891 N/A LEU 155.A N GLY 125.A O no hydrogen 2.983 N/A ASN 157.A N LYS 173.A O no hydrogen 2.712 N/A THR 161.A N ASP 130.A OD1 no hydrogen 3.010 N/A THR 161.A OG1 ASP 130.A OD1 no hydrogen 2.929 N/A GLN 163.A NE2 PHE 198.A O no hydrogen 3.575 N/A TYR 164.A N THR 161.A O no hydrogen 2.921 N/A TYR 164.A OH GLN 190.A OE1 no hydrogen 2.442 N/A VAL 165.A N ALA 162.A O no hydrogen 3.260 N/A SER 166.A OG GLU 168.A OE2 no hydrogen 2.965 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.730 N/A LEU 169.A N SER 166.A O no hydrogen 3.091 N/A THR 171.A N GLU 168.A O no hydrogen 3.395 N/A THR 171.A OG1 PRO 167.A O no hydrogen 3.323 N/A GLU 172.A N GLU 168.A O no hydrogen 2.748 N/A SER 174.A OG GLU 172.A OE1 no hydrogen 3.449 N/A CYS 176.A N SER 179.A OG no hydrogen 3.342 N/A LYS 177.A NZ HIS 122.A O no hydrogen 2.949 N/A LYS 177.A NZ GLU 244.A OE2 no hydrogen 3.027 N/A SER 178.A OG ALA 237.A O no hydrogen 2.702 N/A SER 179.A N CYS 176.A O no hydrogen 3.048 N/A SER 179.A OG GLU 168.A OE2 no hydrogen 3.210 N/A LEU 181.A N LYS 177.A O no hydrogen 3.290 N/A TRP 182.A N SER 178.A O no hydrogen 2.870 N/A ALA 183.A N SER 179.A O no hydrogen 3.201 N/A LEU 184.A N ASP 180.A O no hydrogen 2.857 N/A GLY 185.A N LEU 181.A O no hydrogen 3.035 N/A CYS 186.A N TRP 182.A O no hydrogen 3.070 N/A CYS 186.A SG GLN 163.A O no hydrogen 3.833 N/A CYS 186.A SG TRP 182.A O no hydrogen 3.632 N/A ILE 187.A N ALA 183.A O no hydrogen 2.853 N/A ILE 188.A N LEU 184.A O no hydrogen 2.914 N/A TYR 189.A N GLY 185.A O no hydrogen 3.009 N/A TYR 189.A OH ASP 216.A O no hydrogen 2.484 N/A GLN 190.A N CYS 186.A O no hydrogen 2.916 N/A LEU 191.A N ILE 187.A O no hydrogen 2.799 N/A VAL 192.A N ILE 188.A O no hydrogen 3.129 N/A ALA 193.A N TYR 189.A O no hydrogen 2.732 N/A GLY 194.A N GLN 190.A O no hydrogen 2.763 N/A ARG 199.A NH1 PRO 196.A O no hydrogen 2.609 N/A LEU 205.A N ASN 202.A OD1 no hydrogen 2.908 N/A ILE 206.A N ASN 202.A O no hydrogen 3.216 N/A PHE 207.A N GLU 203.A O no hydrogen 2.788 N/A GLN 208.A N TYR 204.A O no hydrogen 3.013 N/A LYS 209.A N LEU 205.A O no hydrogen 3.243 N/A LYS 209.A NZ ARG 199.A O no hydrogen 3.013 N/A ILE 210.A N ILE 206.A O no hydrogen 2.968 N/A ILE 211.A N PHE 207.A O no hydrogen 3.205 N/A LYS 212.A N LYS 209.A O no hydrogen 3.288 N/A LEU 213.A N ILE 210.A O no hydrogen 3.089 N/A GLU 214.A N LYS 209.A O no hydrogen 2.763 N/A PHE 221.A N PRO 218.A O no hydrogen 3.223 N/A ARG 226.A N PHE 222.A O no hydrogen 2.890 N/A ARG 226.A NE GLU 230.A OE2 no hydrogen 3.119 N/A ARG 226.A NH2 GLU 230.A OE2 no hydrogen 3.492 N/A ASP 227.A N PRO 223.A O no hydrogen 3.105 N/A LEU 228.A N LYS 224.A O no hydrogen 3.061 N/A VAL 229.A N ALA 225.A O no hydrogen 2.836 N/A GLU 230.A N ARG 226.A O no hydrogen 2.812 N/A LYS 231.A N ASP 227.A O no hydrogen 3.191 N/A LYS 231.A N LEU 228.A O no hydrogen 3.005 N/A LEU 232.A N VAL 229.A O no hydrogen 3.019 N/A LEU 233.A N VAL 229.A O no hydrogen 2.723 N/A THR 238.A N ASP 236.A OD1 no hydrogen 2.836 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.777 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 3.373 N/A LYS 239.A N ASP 236.A O no hydrogen 3.048 N/A ARG 240.A NE VAL 234.A O no hydrogen 2.791 N/A ARG 240.A NH1 GLU 168.A OE1 no hydrogen 3.460 N/A ARG 240.A NH1 GLU 168.A OE2 no hydrogen 2.958 N/A ARG 240.A NH1 SER 178.A O no hydrogen 2.721 N/A ARG 240.A NH2 GLU 168.A OE1 no hydrogen 2.843 N/A ARG 240.A NH2 VAL 234.A O no hydrogen 2.908 N/A LEU 241.A N LYS 231.A O no hydrogen 3.059 N/A CYS 243.A N ARG 240.A O no hydrogen 3.208 N/A CYS 243.A SG ALA 237.A O no hydrogen 3.763 N/A CYS 243.A SG ARG 240.A O no hydrogen 3.039 N/A CYS 243.A SG GLU 245.A OE1 no hydrogen 3.291 N/A GLU 245.A N GLU 245.A OE1 no hydrogen 2.855 N/A MET 246.A N CYS 243.A O no hydrogen 2.991 N/A GLU 247.A N GLU 244.A O no hydrogen 2.902 N/A GLY 248.A N CYS 243.A O no hydrogen 2.869 N/A TYR 249.A OH HIS 122.A ND1 no hydrogen 2.508 N/A LYS 253.A N TYR 249.A O no hydrogen 2.736 N/A LYS 253.A NZ GLU 119.A OE1 no hydrogen 3.059 N/A ALA 254.A N GLY 250.A O no hydrogen 2.951 N/A HIS 255.A N LEU 252.A O no hydrogen 3.089 N/A HIS 255.A NE2 ASP 227.A OD1 no hydrogen 2.655 N/A PHE 257.A N HIS 255.A ND1 no hydrogen 2.982 N/A PHE 258.A N HIS 255.A O no hydrogen 2.942 N/A GLU 259.A N PRO 256.A O no hydrogen 3.232 N/A VAL 261.A N PHE 258.A O no hydrogen 2.838 N/A GLN 268.A N ASN 265.A O no hydrogen 3.089 N/A GLN 269.A N LEU 266.A O no hydrogen 3.229 N/A GLN 269.A NE2 THR 262.A O no hydrogen 2.770 N/A GLN 269.A NE2 ASN 265.A OD1 no hydrogen 2.674 N/A