Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pkm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASP 1.A OD2 no hydrogen 3.206 N/A TYR 3.A OH SER 139.A O no hydrogen 2.673 N/A SER 6.A N LYS 143.A O no hydrogen 2.723 N/A ILE 8.A N GLU 68.A O no hydrogen 3.197 N/A ALA 9.A N LEU 146.A O no hydrogen 2.918 N/A VAL 10.A N ALA 70.A O no hydrogen 2.797 N/A THR 11.A N ILE 148.A O no hydrogen 2.841 N/A THR 11.A OG1 ILE 148.A O no hydrogen 2.693 N/A SER 13.A OG ALA 151.A O no hydrogen 3.450 N/A ALA 15.A N GLY 52.A O no hydrogen 2.918 N/A THR 16.A N ALA 105.A O no hydrogen 2.934 N/A ASP 17.A N HIS 50.A O no hydrogen 2.873 N/A HIS 18.A N PHE 107.A O no hydrogen 2.663 N/A LEU 19.A N VAL 48.A O no hydrogen 2.754 N/A MET 20.A N CYS 109.A O no hydrogen 2.801 N/A ARG 21.A NH2 THR 296.A OG1 no hydrogen 3.400 N/A PHE 22.A N THR 111.A O no hydrogen 2.770 N/A ARG 25.A NE ASP 114.A OD2 no hydrogen 2.587 N/A PHE 26.A N ASP 112.A OD2 no hydrogen 2.698 N/A GLN 29.A N PHE 26.A O no hydrogen 2.913 N/A GLN 29.A NE2 ARG 25.A O no hydrogen 3.596 N/A LEU 30.A N SER 27.A O no hydrogen 2.984 N/A LEU 35.A N LEU 31.A O no hydrogen 3.080 N/A LYS 37.A N HIS 34.A O no hydrogen 2.774 N/A ASP 45.A N ARG 21.A O no hydrogen 2.882 N/A VAL 48.A N LEU 19.A O no hydrogen 2.943 N/A HIS 50.A N ASP 17.A O no hydrogen 2.911 N/A GLY 52.A N ALA 15.A O no hydrogen 2.872 N/A VAL 54.A N SER 13.A OG no hydrogen 3.090 N/A ALA 55.A N SER 13.A O no hydrogen 2.996 N/A GLY 56.A N SER 13.A O no hydrogen 3.421 N/A ASN 57.A N GLY 53.A O no hydrogen 2.878 N/A ASN 57.A ND2 ASP 262.A OD2 no hydrogen 2.925 N/A MET 58.A N VAL 54.A O no hydrogen 2.897 N/A ALA 59.A N ALA 55.A O no hydrogen 2.793 N/A PHE 60.A N GLY 56.A O no hydrogen 2.908 N/A ALA 61.A N ASN 57.A O no hydrogen 3.138 N/A ILE 62.A N MET 58.A O no hydrogen 3.064 N/A GLY 63.A N ALA 59.A O no hydrogen 2.993 N/A VAL 64.A N PHE 60.A O no hydrogen 2.885 N/A LEU 65.A N ALA 61.A O no hydrogen 2.983 N/A GLY 66.A N GLY 63.A O no hydrogen 2.893 N/A GLY 67.A N ILE 62.A O no hydrogen 2.794 N/A ALA 70.A N ILE 8.A O no hydrogen 2.956 N/A LEU 71.A N ASN 92.A O no hydrogen 2.853 N/A VAL 72.A N VAL 10.A O no hydrogen 2.831 N/A ALA 75.A N LEU 97.A O no hydrogen 2.863 N/A GLY 76.A N THR 104.A OG1 no hydrogen 2.845 N/A PHE 79.A N GLY 76.A O no hydrogen 2.986 N/A TYR 82.A OH GLY 52.A O no hydrogen 2.620 N/A ARG 83.A N PHE 79.A O no hydrogen 2.827 N/A ASP 84.A N ALA 80.A O no hydrogen 3.241 N/A TRP 85.A N ASP 81.A O no hydrogen 3.211 N/A TRP 85.A NE1 GLN 299.A OE1 no hydrogen 2.793 N/A LEU 86.A N TYR 82.A O no hydrogen 2.945 N/A LYS 87.A N ARG 83.A O no hydrogen 2.829 N/A ALA 88.A N ASP 84.A O no hydrogen 3.059 N/A ARG 89.A N LEU 86.A O no hydrogen 2.919 N/A GLY 90.A N LYS 87.A O no hydrogen 2.863 N/A VAL 91.A N LEU 86.A O no hydrogen 3.226 N/A ASN 92.A N VAL 69.A O no hydrogen 2.979 N/A CYS 93.A SG VAL 91.A O no hydrogen 3.870 N/A ASP 94.A N ASN 92.A OD1 no hydrogen 2.891 N/A VAL 96.A N CYS 93.A O no hydrogen 3.186 N/A LEU 97.A N GLY 73.A O no hydrogen 2.882 N/A SER 99.A N ALA 75.A O no hydrogen 2.778 N/A SER 99.A OG GLU 128.A OE1 no hydrogen 3.375 N/A SER 99.A OG GLU 128.A OE2 no hydrogen 2.397 N/A THR 101.A N SER 99.A OG no hydrogen 3.156 N/A ALA 102.A N SER 99.A OG no hydrogen 2.861 N/A THR 104.A N ASP 78.A OD2 no hydrogen 3.312 N/A THR 104.A OG1 ASP 78.A OD1 no hydrogen 2.459 N/A THR 104.A OG1 ASP 78.A OD2 no hydrogen 3.254 N/A ARG 106.A N TYR 122.A O no hydrogen 2.937 N/A PHE 107.A N THR 16.A O no hydrogen 2.969 N/A THR 108.A N SER 120.A O no hydrogen 2.930 N/A CYS 109.A N HIS 18.A O no hydrogen 2.917 N/A THR 110.A N ILE 118.A O no hydrogen 2.817 N/A THR 111.A N MET 20.A O no hydrogen 2.932 N/A ASP 112.A N ALA 116.A O no hydrogen 3.140 N/A VAL 113.A N GLY 24.A O no hydrogen 2.918 N/A ASP 114.A N ASP 112.A OD1 no hydrogen 2.836 N/A MET 115.A N ASP 112.A O no hydrogen 3.182 N/A ALA 116.A N ASP 112.A OD1 no hydrogen 2.952 N/A GLN 117.A NE2 THR 111.A OG1 no hydrogen 2.811 N/A GLN 117.A NE2 THR 258.A OG1 no hydrogen 2.786 N/A ILE 118.A N THR 110.A O no hydrogen 3.000 N/A SER 120.A N THR 108.A O no hydrogen 2.942 N/A TYR 122.A N ARG 106.A O no hydrogen 2.778 N/A ALA 125.A N HIS 103.A O no hydrogen 2.670 N/A MET 126.A N PRO 123.A O no hydrogen 2.902 N/A SER 127.A N GLY 124.A O no hydrogen 3.188 N/A SER 127.A OG GLY 124.A O no hydrogen 3.537 N/A GLU 128.A N ALA 125.A O no hydrogen 2.985 N/A ALA 129.A N MET 126.A O no hydrogen 2.887 N/A ARG 130.A NE SER 127.A O no hydrogen 3.040 N/A ARG 130.A NE ASP 153.A OD2 no hydrogen 3.123 N/A ARG 130.A NH2 ASP 153.A OD1 no hydrogen 2.958 N/A ASN 131.A N GLU 128.A O no hydrogen 2.905 N/A ILE 132.A N ALA 129.A O no hydrogen 2.925 N/A LEU 134.A N GLU 163.A OE2 no hydrogen 2.662 N/A ALA 135.A N GLU 163.A OE1 no hydrogen 2.881 N/A ASP 136.A N LYS 133.A O no hydrogen 3.100 N/A VAL 138.A N LEU 134.A O no hydrogen 2.849 N/A SER 139.A N ALA 135.A O no hydrogen 2.930 N/A ALA 140.A N ASP 136.A O no hydrogen 3.244 N/A ILE 141.A N VAL 137.A O no hydrogen 2.989 N/A GLY 142.A N VAL 138.A O no hydrogen 2.761 N/A LYS 143.A N PHE 4.A O no hydrogen 2.793 N/A LYS 143.A NZ ASP 1.A O no hydrogen 2.784 N/A GLU 145.A N THR 7.A O no hydrogen 2.820 N/A VAL 147.A N ALA 170.A O no hydrogen 2.875 N/A ILE 148.A N ALA 9.A O no hydrogen 2.808 N/A ILE 149.A N ALA 172.A O no hydrogen 2.871 N/A GLY 150.A N THR 11.A O no hydrogen 2.872 N/A ASP 153.A N ASN 152.A OD1 no hydrogen 2.835 N/A ALA 156.A N ASP 153.A OD2 no hydrogen 2.989 N/A MET 157.A N ASP 153.A O no hydrogen 2.955 N/A LEU 159.A N GLU 155.A O no hydrogen 2.953 N/A HIS 160.A N ALA 156.A O no hydrogen 2.803 N/A THR 161.A N MET 157.A O no hydrogen 3.152 N/A THR 161.A OG1 MET 157.A O no hydrogen 2.837 N/A GLU 162.A N PHE 158.A O no hydrogen 2.829 N/A GLU 163.A N LEU 159.A O no hydrogen 2.975 N/A CYS 164.A N HIS 160.A O no hydrogen 3.006 N/A CYS 164.A SG HIS 160.A O no hydrogen 3.428 N/A ARG 165.A N THR 161.A O no hydrogen 2.909 N/A ARG 165.A NE ASN 192.A O no hydrogen 3.383 N/A ARG 165.A NH1 ARG 189.A O no hydrogen 2.706 N/A ARG 165.A NH2 ARG 189.A O no hydrogen 3.086 N/A ARG 165.A NH2 ASN 192.A O no hydrogen 3.077 N/A LYS 166.A N GLU 162.A O no hydrogen 2.889 N/A LEU 167.A N GLU 163.A O no hydrogen 2.851 N/A GLY 168.A N ARG 165.A O no hydrogen 3.432 N/A LEU 169.A N CYS 164.A O no hydrogen 2.850 N/A ALA 172.A N VAL 147.A O no hydrogen 2.806 N/A ALA 173.A N TYR 196.A O no hydrogen 2.810 N/A ASP 174.A N ILE 149.A O no hydrogen 3.105 N/A SER 176.A OG ASP 174.A OD1 no hydrogen 2.627 N/A GLN 178.A N PRO 175.A O no hydrogen 2.721 N/A GLN 178.A NE2 ASN 152.A O no hydrogen 2.852 N/A LEU 179.A N SER 176.A O no hydrogen 3.135 N/A ARG 181.A N GLN 178.A O no hydrogen 3.000 N/A LEU 182.A N GLN 178.A O no hydrogen 2.996 N/A SER 183.A N GLU 186.A OE1 no hydrogen 2.839 N/A GLU 186.A N SER 183.A OG no hydrogen 3.181 N/A ILE 187.A N SER 183.A O no hydrogen 2.959 N/A ARG 188.A N GLY 184.A O no hydrogen 3.063 N/A ARG 188.A NH1 THR 211.A O no hydrogen 2.798 N/A ARG 189.A N GLU 185.A O no hydrogen 3.332 N/A LEU 190.A N ILE 187.A O no hydrogen 3.127 N/A GLY 193.A N GLN 221.A O no hydrogen 2.696 N/A ALA 194.A N VAL 191.A O no hydrogen 3.148 N/A ALA 195.A N PHE 171.A O no hydrogen 2.897 N/A LEU 197.A N LEU 224.A O no hydrogen 2.881 N/A PHE 198.A N ALA 173.A O no hydrogen 2.883 N/A THR 199.A N VAL 226.A O no hydrogen 3.053 N/A THR 199.A OG1 ASN 200.A O no hydrogen 3.113 N/A ASN 200.A N GLU 203.A OE1 no hydrogen 3.144 N/A GLU 203.A N ASN 200.A OD1 no hydrogen 2.924 N/A TRP 204.A N ASN 200.A O no hydrogen 2.795 N/A ASP 205.A N ASP 201.A O no hydrogen 3.004 N/A LEU 206.A N TYR 202.A O no hydrogen 2.757 N/A LEU 207.A N GLU 203.A O no hydrogen 2.718 N/A LEU 208.A N TRP 204.A O no hydrogen 3.035 N/A SER 209.A N ASP 205.A O no hydrogen 2.828 N/A LYS 210.A N LEU 206.A O no hydrogen 2.896 N/A LYS 210.A NZ LEU 179.A O no hydrogen 2.727 N/A LYS 210.A NZ LEU 182.A O no hydrogen 2.733 N/A THR 211.A N LEU 207.A O no hydrogen 2.811 N/A THR 211.A OG1 LEU 207.A O no hydrogen 2.627 N/A GLY 212.A N LEU 208.A O no hydrogen 3.342 N/A TRP 213.A N THR 211.A OG1 no hydrogen 3.133 N/A SER 214.A N ASP 217.A OD2 no hydrogen 3.120 N/A ASP 217.A N SER 214.A OG no hydrogen 3.389 N/A VAL 218.A N SER 214.A O no hydrogen 3.349 N/A MET 219.A N GLU 215.A O no hydrogen 2.948 N/A ALA 220.A N ALA 216.A O no hydrogen 3.280 N/A GLN 221.A N VAL 218.A O no hydrogen 2.843 N/A GLN 221.A NE2 ASP 217.A O no hydrogen 2.883 N/A ASP 223.A N ALA 194.A O no hydrogen 2.894 N/A ARG 225.A N VAL 237.A O no hydrogen 3.041 N/A ARG 225.A NH1 THR 227.A OG1 no hydrogen 2.828 N/A ARG 225.A NH2 GLU 215.A OE2 no hydrogen 2.821 N/A VAL 226.A N LEU 197.A O no hydrogen 2.774 N/A THR 227.A N ASP 235.A O no hydrogen 2.964 N/A THR 228.A N THR 199.A O no hydrogen 2.957 N/A THR 228.A OG1 THR 199.A O no hydrogen 3.397 N/A LEU 229.A N GLY 233.A O no hydrogen 2.850 N/A LYS 232.A N LEU 229.A O no hydrogen 3.081 N/A GLY 233.A N GLY 230.A O no hydrogen 3.420 N/A VAL 234.A N VAL 246.A O no hydrogen 2.768 N/A ASP 235.A N THR 227.A O no hydrogen 2.889 N/A LEU 236.A N ILE 244.A O no hydrogen 2.740 N/A VAL 237.A N ARG 225.A O no hydrogen 2.754 N/A GLU 238.A N THR 242.A O no hydrogen 2.968 N/A THR 243.A OG1 GLY 241.A O no hydrogen 2.778 N/A ILE 244.A N LEU 236.A O no hydrogen 2.909 N/A HIS 245.A NE2 LYS 232.A O no hydrogen 2.424 N/A VAL 246.A N VAL 234.A O no hydrogen 3.001 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.698 N/A THR 252.A N GLU 294.A OE2 no hydrogen 3.047 N/A SER 253.A OG THR 255.A OG1 no hydrogen 3.113 N/A THR 255.A N LEU 293.A O no hydrogen 3.088 N/A THR 255.A OG1 SER 253.A OG no hydrogen 3.113 N/A THR 255.A OG1 GLU 294.A O no hydrogen 3.373 N/A ASP 256.A N LEU 293.A O no hydrogen 3.159 N/A THR 258.A N ASP 256.A OD1 no hydrogen 3.273 N/A THR 258.A OG1 ASP 256.A OD1 no hydrogen 2.814 N/A VAL 260.A N PRO 257.A O no hydrogen 3.176 N/A ALA 263.A N GLY 259.A O no hydrogen 2.989 N/A PHE 264.A N VAL 260.A O no hydrogen 3.001 N/A ARG 265.A N GLY 261.A O no hydrogen 3.046 N/A ARG 265.A NE ASP 174.A OD1 no hydrogen 2.664 N/A ARG 265.A NH1 GLY 261.A O no hydrogen 2.893 N/A ARG 265.A NH2 ASP 174.A OD1 no hydrogen 3.382 N/A ARG 265.A NH2 SER 176.A OG no hydrogen 3.155 N/A ALA 266.A N ASP 262.A O no hydrogen 3.034 N/A GLY 267.A N ALA 263.A O no hydrogen 2.992 N/A PHE 268.A N PHE 264.A O no hydrogen 2.810 N/A LEU 269.A N ARG 265.A O no hydrogen 2.899 N/A THR 270.A N ALA 266.A O no hydrogen 2.969 N/A THR 270.A OG1 ALA 266.A O no hydrogen 2.607 N/A GLY 271.A N GLY 267.A O no hydrogen 2.845 N/A ARG 272.A N PHE 268.A O no hydrogen 2.840 N/A ARG 272.A NE TYR 196.A OH no hydrogen 3.354 N/A ARG 272.A NH1 LEU 276.A O no hydrogen 2.960 N/A SER 273.A N LEU 269.A O no hydrogen 2.751 N/A SER 273.A OG GLU 145.A OE1 no hydrogen 2.662 N/A ALA 274.A N THR 270.A O no hydrogen 3.103 N/A ALA 274.A N GLY 271.A O no hydrogen 3.108 N/A GLY 275.A N ARG 272.A O no hydrogen 3.232 N/A LEU 276.A N GLY 271.A O no hydrogen 3.085 N/A ARG 280.A NH1 GLN 283.A OE1 no hydrogen 2.977 N/A SER 281.A N GLY 277.A O no hydrogen 2.933 N/A SER 281.A OG LEU 276.A O no hydrogen 3.432 N/A SER 281.A OG GLY 277.A O no hydrogen 2.865 N/A ALA 282.A N LEU 278.A O no hydrogen 3.020 N/A GLN 283.A N GLU 279.A O no hydrogen 3.081 N/A LEU 284.A N ARG 280.A O no hydrogen 3.137 N/A GLY 285.A N SER 281.A O no hydrogen 2.893 N/A SER 286.A N ALA 282.A O no hydrogen 2.893 N/A SER 286.A OG ALA 282.A O no hydrogen 2.873 N/A LEU 287.A N GLN 283.A O no hydrogen 3.271 N/A LEU 287.A N LEU 284.A O no hydrogen 3.140 N/A VAL 288.A N LEU 284.A O no hydrogen 3.196 N/A ALA 289.A N GLY 285.A O no hydrogen 2.875 N/A VAL 290.A N SER 286.A O no hydrogen 3.110 N/A LEU 291.A N LEU 287.A O no hydrogen 2.992 N/A VAL 292.A N VAL 288.A O no hydrogen 3.038 N/A LEU 293.A N ALA 289.A O no hydrogen 2.992 N/A GLU 294.A N VAL 290.A O no hydrogen 2.982 N/A SER 295.A N VAL 292.A O no hydrogen 3.102 N/A SER 295.A OG LEU 291.A O no hydrogen 2.733 N/A SER 295.A OG VAL 292.A O no hydrogen 3.174 N/A GLY 297.A N ASP 256.A OD2 no hydrogen 2.850 N/A THR 298.A OG1 ASN 57.A OD1 no hydrogen 2.602 N/A GLN 299.A NE2 ASN 57.A OD1 no hydrogen 2.869 N/A GLN 299.A NE2 TYR 82.A OH no hydrogen 2.817 N/A ALA 307.A N ASP 304.A OD2 no hydrogen 3.326 N/A ALA 308.A N ASP 304.A O no hydrogen 3.074 N/A ALA 309.A N TYR 305.A O no hydrogen 3.412 N/A SER 310.A N GLU 306.A O no hydrogen 3.367 N/A ARG 311.A N ALA 307.A O no hydrogen 3.104 N/A ARG 311.A NH1 GLU 294.A OE1 no hydrogen 2.750 N/A ARG 311.A NH1 GLU 294.A OE2 no hydrogen 3.271 N/A ARG 311.A NH2 PRO 250.A O no hydrogen 3.082 N/A ARG 311.A NH2 GLU 294.A OE2 no hydrogen 2.609 N/A LEU 312.A N ALA 308.A O no hydrogen 2.998 N/A ALA 313.A N ALA 309.A O no hydrogen 2.943 N/A GLY 314.A N SER 310.A O no hydrogen 3.082 N/A ALA 315.A N ARG 311.A O no hydrogen 3.179 N/A ALA 315.A N LEU 312.A O no hydrogen 3.302 N/A TYR 316.A N LEU 312.A O no hydrogen 2.849 N/A TYR 316.A OH GLY 247.A O no hydrogen 2.560 N/A GLY 317.A N ALA 313.A O no hydrogen 2.859 N/A ALA 321.A N GLY 317.A O no hydrogen 3.281 N/A ALA 322.A N GLU 318.A O no hydrogen 3.208 N/A GLU 323.A N HIS 319.A O no hydrogen 3.043 N/A ILE 324.A N ALA 320.A O no hydrogen 3.026 N/A VAL 325.A N ALA 321.A O no hydrogen 3.095 N/A ALA 326.A N ALA 322.A O no hydrogen 3.351 N/A LEU 328.A N ALA 326.A O no hydrogen 2.883 N/A