Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kcy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 VAL 250.A O no hydrogen 2.981 N/A GLU 5.A N GLY 10.A O no hydrogen 3.297 N/A ALA 12.A N ARG 3.A O no hydrogen 2.875 N/A ASP 14.A N GLN 17.A OE1 no hydrogen 3.047 N/A SER 16.A N ASP 14.A OD1 no hydrogen 3.069 N/A SER 16.A OG ASP 14.A OD1 no hydrogen 3.255 N/A GLN 17.A N ASP 14.A O no hydrogen 2.629 N/A GLN 17.A NE2 LEU 271.A O no hydrogen 2.960 N/A LEU 18.A N GLU 15.A O no hydrogen 2.721 N/A ARG 19.A N GLU 268.A OE2 no hydrogen 2.942 N/A ARG 19.A NH2 GLY 179.A O no hydrogen 2.780 N/A TYR 21.A OH HIS 266.A NE2 no hydrogen 3.053 N/A TYR 21.A OH GLU 268.A OE1 no hydrogen 2.893 N/A SER 22.A OG TYR 235.A OH no hydrogen 2.979 N/A THR 25.A OG1 GLU 248.A OE1 no hydrogen 2.384 N/A ARG 26.A N GLY 246.A O no hydrogen 2.881 N/A ILE 28.A N GLU 248.A O no hydrogen 2.774 N/A ARG 30.A NH1 ASP 255.A OD1 no hydrogen 3.334 N/A ARG 30.A NH2 ASP 255.A OD1 no hydrogen 3.259 N/A LEU 31.A N VAL 49.A O no hydrogen 2.683 N/A SER 32.A OG SER 34.A OG no hydrogen 3.330 N/A SER 32.A OG ASP 52.A OD2 no hydrogen 2.800 N/A GLN 33.A N ASP 52.A OD1 no hydrogen 2.851 N/A SER 34.A N SER 32.A OG no hydrogen 3.410 N/A SER 34.A OG SER 32.A OG no hydrogen 3.330 N/A ASP 35.A N SER 32.A O no hydrogen 2.945 N/A ARG 37.A N ASP 35.A OD1 no hydrogen 2.574 N/A GLU 39.A N PRO 36.A O no hydrogen 2.725 N/A GLU 40.A N PRO 36.A O no hydrogen 3.006 N/A LEU 41.A N ARG 37.A O no hydrogen 3.028 N/A ILE 42.A N ALA 38.A O no hydrogen 3.186 N/A GLU 43.A N GLU 39.A O no hydrogen 2.913 N/A ASN 44.A N GLU 40.A O no hydrogen 2.779 N/A GLU 45.A N ILE 42.A O no hydrogen 3.253 N/A GLU 46.A N LEU 41.A O no hydrogen 2.919 N/A VAL 49.A N PRO 29.A O no hydrogen 2.928 N/A LEU 50.A N VAL 256.A O no hydrogen 2.744 N/A THR 51.A N LEU 31.A O no hydrogen 2.799 N/A THR 51.A OG1 LEU 31.A O no hydrogen 3.182 N/A LEU 55.A N THR 53.A OG1 no hydrogen 3.358 N/A TYR 57.A N ASN 54.A O no hydrogen 3.131 N/A ALA 59.A N VAL 56.A O no hydrogen 2.919 N/A LEU 60.A N TYR 57.A O no hydrogen 2.817 N/A LYS 61.A NZ PRO 58.A O no hydrogen 3.065 N/A LYS 61.A NZ TYR 66.A OH no hydrogen 3.333 N/A LYS 61.A NZ ASP 147.A OD2 no hydrogen 3.106 N/A TRP 62.A N ALA 59.A O no hydrogen 2.844 N/A TRP 62.A NE1 ASP 147.A OD2 no hydrogen 2.807 N/A TYR 66.A N ASP 63.A OD1 no hydrogen 3.009 N/A TYR 66.A OH ASP 147.A OD2 no hydrogen 2.646 N/A LEU 67.A N ASP 63.A O no hydrogen 3.284 N/A GLN 68.A N LEU 64.A O no hydrogen 2.937 N/A GLU 69.A N GLU 65.A O no hydrogen 3.102 N/A ASN 70.A N TYR 66.A O no hydrogen 3.191 N/A ASN 70.A ND2 TYR 66.A O no hydrogen 3.457 N/A ILE 71.A N LEU 67.A O no hydrogen 3.189 N/A PHE 76.A N MET 109.A O no hydrogen 2.884 N/A SER 77.A N GLN 134.A OE1 no hydrogen 2.639 N/A SER 77.A OG GLU 108.A OE2 no hydrogen 3.373 N/A SER 77.A OG GLN 134.A OE1 no hydrogen 2.668 N/A VAL 78.A N GLU 107.A O no hydrogen 2.915 N/A TYR 79.A N TYR 131.A O no hydrogen 3.092 N/A SER 80.A N ASN 105.A O no hydrogen 2.750 N/A ALA 81.A N ARG 129.A O no hydrogen 2.979 N/A HIS 84.A N THR 83.A OG1 no hydrogen 2.700 N/A HIS 84.A NE2 ASP 231.A OD2 no hydrogen 3.107 N/A LYS 85.A NZ ASP 229.A OD1 no hydrogen 2.640 N/A LYS 85.A NZ ASP 231.A OD2 no hydrogen 2.681 N/A PHE 86.A N VAL 181.A O no hydrogen 2.938 N/A ASP 90.A N PRO 221.A O no hydrogen 3.006 N/A LYS 93.A N ASP 90.A O no hydrogen 3.351 N/A LYS 93.A NZ VAL 218.A O no hydrogen 3.135 N/A MET 94.A N GLU 91.A O no hydrogen 3.196 N/A ASN 96.A N LYS 93.A O no hydrogen 3.007 N/A ASN 96.A ND2 LYS 93.A O no hydrogen 3.468 N/A ASN 96.A ND2 HIS 219.A O no hydrogen 3.450 N/A PHE 97.A N MET 94.A O no hydrogen 3.115 N/A ASN 99.A ND2 ASN 99.A O no hydrogen 2.930 N/A SER 104.A OG LEU 87.A O no hydrogen 2.965 N/A ASN 105.A N SER 80.A O no hydrogen 2.968 N/A GLU 107.A N VAL 78.A O no hydrogen 2.803 N/A LYS 110.A NZ ASP 75.A OD1 no hydrogen 2.962 N/A GLU 113.A N LYS 110.A O no hydrogen 2.784 N/A PHE 114.A N LYS 110.A O no hydrogen 3.350 N/A VAL 115.A N PHE 111.A O no hydrogen 2.867 N/A GLU 116.A N HIS 112.A O no hydrogen 2.895 N/A LYS 117.A N GLU 113.A O no hydrogen 2.856 N/A LYS 117.A NZ GLU 107.A OE2 no hydrogen 2.904 N/A LEU 118.A N PHE 114.A O no hydrogen 2.856 N/A GLN 119.A N VAL 115.A O no hydrogen 2.965 N/A ASP 120.A N GLU 116.A O no hydrogen 2.759 N/A GLN 122.A N LEU 118.A O no hydrogen 3.153 N/A GLN 123.A N ASP 120.A O no hydrogen 2.883 N/A ARG 124.A N ASP 120.A O no hydrogen 2.668 N/A GLY 125.A N ILE 121.A O no hydrogen 3.072 N/A TYR 131.A N TYR 79.A O no hydrogen 2.990 N/A GLN 134.A N LEU 173.A O no hydrogen 3.276 N/A GLN 134.A NE2 THR 135.A O no hydrogen 3.051 N/A LEU 136.A N ASN 171.A O no hydrogen 2.967 N/A THR 139.A N ASN 137.A OD1 no hydrogen 3.511 N/A THR 139.A OG1 ASN 137.A O no hydrogen 3.499 N/A THR 139.A OG1 ASN 137.A OD1 no hydrogen 3.140 N/A GLY 141.A N ILE 71.A O no hydrogen 3.158 N/A VAL 145.A N GLY 141.A O no hydrogen 3.039 N/A MET 146.A N ARG 142.A O no hydrogen 2.894 N/A ASP 147.A N LYS 143.A O no hydrogen 3.088 N/A PHE 148.A N ILE 144.A O no hydrogen 2.970 N/A LEU 149.A N VAL 145.A O no hydrogen 2.871 N/A GLY 150.A N MET 146.A O no hydrogen 2.966 N/A GLY 150.A N ASP 147.A O no hydrogen 2.818 N/A PHE 151.A N PHE 148.A O no hydrogen 3.129 N/A ASN 152.A N LEU 55.A O no hydrogen 2.853 N/A ASN 152.A ND2 THR 53.A O no hydrogen 3.000 N/A TRP 153.A NE1 PHE 148.A O no hydrogen 3.049 N/A TRP 155.A N ASN 152.A OD1 no hydrogen 2.992 N/A ILE 156.A N ASN 152.A O no hydrogen 2.981 N/A ASN 157.A N TRP 153.A O no hydrogen 2.696 N/A LYS 158.A N ASN 154.A O no hydrogen 3.190 N/A GLN 159.A N TRP 155.A O no hydrogen 3.046 N/A GLN 159.A NE2 GLU 39.A OE1 no hydrogen 2.939 N/A GLN 160.A N ILE 156.A O no hydrogen 3.275 N/A GLN 160.A NE2 GLY 166.A O no hydrogen 2.875 N/A GLY 161.A N ASN 157.A O no hydrogen 3.040 N/A LYS 162.A N LYS 158.A O no hydrogen 3.271 N/A LYS 162.A NZ GLU 39.A OE2 no hydrogen 2.579 N/A ARG 163.A NH1 GLU 43.A OE2 no hydrogen 3.106 N/A ARG 163.A NH2 GLN 159.A OE1 no hydrogen 3.103 N/A GLY 164.A N GLN 160.A O no hydrogen 3.141 N/A GLY 164.A N GLY 161.A O no hydrogen 2.839 N/A GLY 166.A N LYS 284.A O no hydrogen 2.791 N/A THR 169.A N TRP 282.A O no hydrogen 2.705 N/A THR 169.A OG1 GLN 189.A OE1 no hydrogen 2.676 N/A THR 169.A OG1 TRP 282.A O no hydrogen 3.333 N/A LEU 172.A N ASN 280.A O no hydrogen 3.183 N/A LEU 173.A N GLN 134.A O no hydrogen 3.386 N/A LEU 174.A N THR 278.A O no hydrogen 2.871 N/A GLY 176.A N THR 276.A O no hydrogen 3.416 N/A GLY 179.A N SER 269.A O no hydrogen 3.008 N/A GLY 179.A N LEU 270.A O no hydrogen 3.311 N/A ASN 180.A N MET 177.A O no hydrogen 3.077 N/A ASN 180.A ND2 LEU 130.A O no hydrogen 2.912 N/A VAL 181.A N HIS 84.A O no hydrogen 3.093 N/A THR 182.A N ILE 267.A O no hydrogen 2.786 N/A HIS 185.A N HIS 265.A O no hydrogen 3.173 N/A HIS 185.A ND1 PRO 183.A O no hydrogen 3.236 N/A TYR 186.A N ARG 224.A O no hydrogen 3.235 N/A ASN 191.A N ILE 259.A O no hydrogen 3.067 N/A PHE 192.A N PHE 281.A O no hydrogen 3.051 N/A PHE 193.A N LEU 257.A O no hydrogen 2.671 N/A ALA 194.A N VAL 279.A O no hydrogen 3.041 N/A GLN 195.A N ASP 255.A O no hydrogen 2.963 N/A GLN 195.A NE2 GLY 198.A O no hydrogen 2.569 N/A ILE 196.A N ILE 277.A O no hydrogen 2.978 N/A LYS 197.A N ILE 277.A O no hydrogen 3.123 N/A TYR 199.A OH GLU 5.A OE2 no hydrogen 2.964 N/A LYS 200.A N VAL 251.A O no hydrogen 2.845 N/A LYS 200.A NZ TYR 131.A OH no hydrogen 2.950 N/A LYS 200.A NZ THR 278.A OG1 no hydrogen 3.014 N/A ARG 201.A N GLU 268.A O no hydrogen 2.961 N/A ARG 201.A NE GLU 248.A OE2 no hydrogen 2.434 N/A ARG 201.A NH1 ARG 19.A O no hydrogen 2.771 N/A ARG 201.A NH1 GLU 268.A OE2 no hydrogen 2.919 N/A ARG 201.A NH2 GLU 248.A OE2 no hydrogen 2.485 N/A CYS 202.A N THR 249.A O no hydrogen 2.986 N/A ILE 203.A N HIS 266.A O no hydrogen 2.890 N/A LEU 204.A N TYR 247.A O no hydrogen 2.629 N/A PHE 205.A N TRP 264.A O no hydrogen 3.220 N/A GLN 209.A N PRO 206.A O no hydrogen 2.832 N/A GLN 209.A NE2 VAL 245.A O no hydrogen 2.789 N/A PHE 210.A N PRO 207.A O no hydrogen 2.857 N/A CYS 212.A N GLN 209.A O no hydrogen 2.887 N/A LEU 213.A N PHE 210.A O no hydrogen 3.209 N/A TYR 214.A N PHE 210.A O no hydrogen 3.364 N/A TYR 216.A N GLN 225.A O no hydrogen 3.069 N/A VAL 218.A N GLU 306.A OE1 no hydrogen 3.115 N/A HIS 220.A N PRO 217.A O no hydrogen 2.919 N/A CYS 222.A N HIS 220.A ND1 no hydrogen 2.992 N/A CYS 222.A SG TYR 88.A O no hydrogen 3.949 N/A CYS 222.A SG GLN 225.A OE1 no hydrogen 3.918 N/A ASP 223.A N HIS 220.A O no hydrogen 2.805 N/A ARG 224.A NH1 TYR 186.A O no hydrogen 2.554 N/A GLN 225.A N CYS 222.A O no hydrogen 2.864 N/A SER 226.A N ALA 184.A O no hydrogen 3.261 N/A SER 226.A OG LEU 213.A O no hydrogen 2.747 N/A GLN 227.A N TYR 214.A O no hydrogen 3.017 N/A GLN 227.A NE2 TYR 214.A O no hydrogen 3.221 N/A GLN 227.A NE2 PRO 215.A O no hydrogen 3.509 N/A VAL 228.A N SER 226.A OG no hydrogen 3.298 N/A ASP 231.A N ASP 229.A OD1 no hydrogen 2.784 N/A ASN 232.A N ASP 229.A O no hydrogen 2.821 N/A ASN 232.A N ASP 229.A OD1 no hydrogen 3.306 N/A GLU 236.A N ASP 234.A OD1 no hydrogen 3.046 N/A ARG 237.A N ASP 234.A OD1 no hydrogen 3.175 N/A PHE 238.A N ASP 234.A O no hydrogen 2.809 N/A ASN 240.A N TYR 214.A OH no hydrogen 3.302 N/A ASN 240.A ND2 ASN 243.A OD1 no hydrogen 3.164 N/A PHE 241.A N PHE 238.A O no hydrogen 3.015 N/A GLN 242.A N PRO 239.A O no hydrogen 3.129 N/A GLN 242.A NE2 PRO 239.A O no hydrogen 2.860 N/A ASN 243.A N ASN 240.A O no hydrogen 3.038 N/A VAL 244.A N PHE 241.A O no hydrogen 2.895 N/A VAL 245.A N GLN 209.A OE1 no hydrogen 3.023 N/A GLY 246.A N PRO 24.A O no hydrogen 3.127 N/A TYR 247.A N LEU 204.A O no hydrogen 2.732 N/A GLU 248.A N ARG 26.A O no hydrogen 2.673 N/A THR 249.A N CYS 202.A O no hydrogen 3.015 N/A VAL 251.A N LYS 200.A O no hydrogen 2.642 N/A GLY 252.A N ASP 255.A OD2 no hydrogen 2.597 N/A GLY 254.A N GLN 195.A O no hydrogen 2.877 N/A ASP 255.A N GLY 252.A O no hydrogen 2.855 N/A VAL 256.A N LEU 50.A O no hydrogen 2.903 N/A LEU 257.A N PHE 193.A O no hydrogen 2.692 N/A TYR 258.A N VAL 48.A O no hydrogen 3.042 N/A TYR 258.A OH GLN 190.A OE1 no hydrogen 2.667 N/A ILE 259.A N ASN 191.A O no hydrogen 2.970 N/A MET 261.A N GLN 190.A OE1 no hydrogen 3.023 N/A TYR 262.A N ASP 187.A O no hydrogen 2.948 N/A TRP 263.A N PRO 260.A O no hydrogen 3.207 N/A TRP 264.A N PHE 205.A O no hydrogen 2.921 N/A HIS 265.A N HIS 185.A O no hydrogen 2.785 N/A HIS 265.A ND1 TRP 263.A O no hydrogen 3.128 N/A HIS 266.A N ILE 203.A O no hydrogen 2.813 N/A HIS 266.A NE2 GLU 268.A OE1 no hydrogen 2.837 N/A ILE 267.A N THR 182.A O no hydrogen 2.882 N/A GLU 268.A N ARG 201.A O no hydrogen 2.956 N/A SER 269.A N ASN 180.A O no hydrogen 3.015 N/A SER 269.A OG THR 276.A OG1 no hydrogen 3.265 N/A LEU 270.A N TYR 199.A O no hydrogen 3.227 N/A LEU 271.A N GLN 17.A O no hydrogen 3.225 N/A GLY 273.A N LEU 270.A O no hydrogen 3.218 N/A GLY 274.A N GLU 178.A OE1 no hydrogen 3.260 N/A THR 276.A N GLY 176.A O no hydrogen 3.100 N/A THR 276.A OG1 SER 269.A OG no hydrogen 3.265 N/A ILE 277.A N LYS 197.A O no hydrogen 2.726 N/A THR 278.A N LEU 174.A O no hydrogen 3.015 N/A THR 278.A OG1 GLN 195.A OE1 no hydrogen 2.707 N/A VAL 279.A N ALA 194.A O no hydrogen 3.027 N/A ASN 280.A N LEU 172.A O no hydrogen 2.934 N/A PHE 281.A N PHE 192.A O no hydrogen 3.139 N/A TYR 283.A N GLN 190.A O no hydrogen 2.988 N/A LYS 284.A N GLN 167.A O no hydrogen 3.309 N/A LYS 294.A N GLN 297.A OE1 no hydrogen 2.893 N/A GLN 297.A N LYS 294.A O no hydrogen 2.590 N/A LYS 298.A N LYS 294.A O no hydrogen 3.378 N/A VAL 299.A N ALA 295.A O no hydrogen 2.865 N/A ALA 300.A N HIS 296.A O no hydrogen 2.962 N/A ILE 301.A N GLN 297.A O no hydrogen 2.854 N/A MET 302.A N LYS 298.A O no hydrogen 3.046 N/A ARG 303.A N VAL 299.A O no hydrogen 3.150 N/A ARG 303.A NH1 TYR 186.A OH no hydrogen 2.914 N/A ARG 303.A NH1 ASP 223.A OD1 no hydrogen 2.748 N/A ARG 303.A NH2 ASP 223.A OD1 no hydrogen 3.347 N/A ARG 303.A NH2 ASP 223.A OD2 no hydrogen 2.532 N/A ASN 304.A N ALA 300.A O no hydrogen 3.205 N/A ILE 305.A N ILE 301.A O no hydrogen 2.949 N/A GLU 306.A N MET 302.A O no hydrogen 2.924 N/A LYS 307.A N ARG 303.A O no hydrogen 2.890 N/A LYS 307.A N ASN 304.A O no hydrogen 2.671 N/A MET 308.A N ASN 304.A O no hydrogen 2.900 N/A LEU 309.A N ILE 305.A O no hydrogen 3.142 N/A GLY 310.A N LYS 307.A O no hydrogen 2.658 N/A GLU 311.A N LYS 307.A O no hydrogen 3.317 N/A ALA 312.A N MET 308.A O no hydrogen 2.793 N/A GLY 314.A N GLU 311.A O no hydrogen 2.810 N/A GLN 317.A N ASN 315.A OD1 no hydrogen 3.346 N/A GLU 318.A N ASN 315.A O no hydrogen 2.778 N/A LEU 322.A N GLU 318.A O no hydrogen 2.958 N/A LEU 323.A N VAL 319.A O no hydrogen 2.987 N/A ASN 324.A N GLY 320.A O no hydrogen 2.955 N/A THR 325.A N PRO 321.A O no hydrogen 2.941 N/A THR 325.A OG1 PRO 321.A O no hydrogen 3.088 N/A MET 326.A N LEU 322.A O no hydrogen 2.914 N/A ILE 327.A N LEU 323.A O no hydrogen 3.113 N/A ILE 327.A N ASN 324.A O no hydrogen 3.014 N/A LYS 328.A N ASN 324.A O no hydrogen 2.937 N/A GLY 329.A N ASN 332.A OD1 no hydrogen 3.270 N/A ARG 330.A N ILE 327.A O no hydrogen 2.642 N/A ARG 330.A NE MET 326.A O no hydrogen 2.977 N/A TYR 331.A N ILE 327.A O no hydrogen 2.776 N/A