Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jpd_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N LYS 68.A O no hydrogen 3.429 N/A HIS 3.A ND1 GLU 33.A OE1 no hydrogen 2.579 N/A ARG 5.A N GLU 67.A O no hydrogen 3.121 N/A ARG 5.A NE GLU 33.A OE2 no hydrogen 2.894 N/A ARG 5.A NH1 LEU 66.A O no hydrogen 3.528 N/A ARG 5.A NH1 LEU 70.A O no hydrogen 2.673 N/A THR 6.A N GLU 32.A O no hydrogen 3.264 N/A LYS 8.A N GLU 30.A O no hydrogen 2.983 N/A PHE 10.A N VAL 28.A O no hydrogen 3.007 N/A GLU 12.A N VAL 26.A O no hydrogen 2.801 N/A TRP 14.A N ALA 24.A O no hydrogen 3.028 N/A TRP 14.A NE1 GLU 12.A OE1 no hydrogen 2.891 N/A LEU 16.A N SER 22.A O no hydrogen 3.170 N/A HIS 17.A N TRP 300.A O no hydrogen 3.290 N/A ALA 24.A N TRP 14.A O no hydrogen 2.797 N/A ARG 25.A NH1 ASP 52.A OD2 no hydrogen 3.314 N/A ARG 25.A NH2 GLU 23.A OE1 no hydrogen 3.062 N/A VAL 26.A N GLU 12.A O no hydrogen 2.814 N/A VAL 27.A N CYS 42.A O no hydrogen 2.954 N/A VAL 28.A N PHE 10.A O no hydrogen 2.782 N/A VAL 29.A N GLY 40.A O no hydrogen 2.867 N/A GLU 30.A N LYS 8.A O no hydrogen 2.837 N/A LEU 31.A N GLY 38.A O no hydrogen 2.580 N/A GLU 32.A N THR 6.A O no hydrogen 3.061 N/A GLU 33.A N ILE 36.A O no hydrogen 2.969 N/A LYS 37.A NZ GLU 30.A OE1 no hydrogen 3.093 N/A GLY 38.A N LEU 31.A O no hydrogen 2.649 N/A THR 39.A N ASP 94.A OD1 no hydrogen 2.762 N/A GLY 40.A N VAL 29.A O no hydrogen 2.869 N/A CYS 42.A N VAL 27.A O no hydrogen 3.100 N/A CYS 42.A SG VAL 27.A O no hydrogen 3.773 N/A CYS 42.A SG ALA 83.A O no hydrogen 3.112 N/A THR 43.A N ASP 246.A OD1 no hydrogen 2.970 N/A THR 43.A OG1 LEU 274.A O no hydrogen 2.843 N/A TYR 45.A N GLU 50.A OE1 no hydrogen 2.750 N/A ARG 47.A NE GLU 176.A OE1 no hydrogen 3.123 N/A ARG 47.A NH1 ARG 47.A O no hydrogen 3.228 N/A ARG 47.A NH2 GLU 176.A OE2 no hydrogen 3.191 N/A TYR 48.A N TYR 45.A O no hydrogen 2.932 N/A TYR 48.A OH GLU 223.A O no hydrogen 2.676 N/A GLY 49.A N PRO 46.A O no hydrogen 2.846 N/A SER 54.A N SER 51.A OG no hydrogen 3.015 N/A VAL 55.A N SER 51.A O no hydrogen 2.975 N/A MET 56.A N ASP 52.A O no hydrogen 2.899 N/A ALA 57.A N ALA 53.A O no hydrogen 2.962 N/A GLN 58.A N SER 54.A O no hydrogen 3.319 N/A GLN 58.A NE2 SER 54.A O no hydrogen 3.674 N/A ILE 59.A N VAL 55.A O no hydrogen 3.076 N/A MET 60.A N MET 56.A O no hydrogen 2.949 N/A SER 61.A N ALA 57.A O no hydrogen 2.988 N/A SER 61.A OG GLN 58.A O no hydrogen 2.586 N/A VAL 62.A N ILE 59.A O no hydrogen 2.850 N/A VAL 63.A N MET 60.A O no hydrogen 2.654 N/A GLN 65.A NE2 SER 61.A O no hydrogen 3.174 N/A LEU 66.A N VAL 62.A O no hydrogen 3.016 N/A LEU 66.A N VAL 63.A O no hydrogen 2.890 N/A GLU 67.A N VAL 63.A O no hydrogen 3.080 N/A GLU 67.A N PRO 64.A O no hydrogen 3.290 N/A LYS 68.A NZ PRO 64.A O no hydrogen 3.514 N/A LEU 70.A N GLN 65.A O no hydrogen 3.182 N/A THR 71.A N GLU 74.A OE2 no hydrogen 3.295 N/A THR 71.A OG1 GLU 74.A OE2 no hydrogen 3.145 N/A GLU 74.A N THR 71.A OG1 no hydrogen 3.399 N/A LEU 75.A N THR 71.A O no hydrogen 3.053 N/A GLN 76.A NE2 ARG 72.A O no hydrogen 3.420 N/A LYS 77.A N GLU 74.A O no hydrogen 3.308 N/A ILE 78.A N LEU 75.A O no hydrogen 3.243 N/A LEU 79.A N LEU 75.A O no hydrogen 3.392 N/A ALA 83.A N GLU 50.A OE2 no hydrogen 2.912 N/A ARG 85.A NE GLY 249.A O no hydrogen 2.966 N/A ARG 85.A NH1 LEU 79.A O no hydrogen 3.314 N/A ARG 85.A NH2 THR 248.A O no hydrogen 2.909 N/A ASN 86.A N GLY 82.A O no hydrogen 3.067 N/A ASN 86.A ND2 ASP 246.A OD1 no hydrogen 2.997 N/A ALA 87.A N ALA 83.A O no hydrogen 3.049 N/A LEU 88.A N ALA 84.A O no hydrogen 3.261 N/A ASP 89.A N ARG 85.A O no hydrogen 2.764 N/A CYS 90.A N ASN 86.A O no hydrogen 2.926 N/A CYS 90.A SG ASN 86.A O no hydrogen 3.211 N/A CYS 90.A SG ASN 86.A OD1 no hydrogen 3.294 N/A ALA 91.A N ALA 87.A O no hydrogen 2.822 N/A LEU 92.A N LEU 88.A O no hydrogen 2.834 N/A TRP 93.A N ASP 89.A O no hydrogen 3.048 N/A TRP 93.A NE1 THR 252.A OG1 no hydrogen 2.990 N/A ASP 94.A N CYS 90.A O no hydrogen 2.957 N/A LEU 95.A N ALA 91.A O no hydrogen 3.050 N/A ALA 96.A N LEU 92.A O no hydrogen 2.818 N/A ALA 97.A N TRP 93.A O no hydrogen 3.024 N/A ALA 97.A N ASP 94.A O no hydrogen 3.316 N/A ARG 98.A N ASP 94.A O no hydrogen 3.019 N/A ARG 98.A NE ASP 94.A OD1 no hydrogen 3.315 N/A ARG 99.A N LEU 95.A O no hydrogen 3.032 N/A GLN 100.A N ALA 97.A O no hydrogen 3.110 N/A GLN 101.A N ARG 98.A O no hydrogen 3.007 N/A GLN 102.A N ALA 97.A O no hydrogen 3.031 N/A SER 103.A OG ASP 106.A OD2 no hydrogen 2.985 N/A ASP 106.A N SER 103.A OG no hydrogen 3.325 N/A LEU 107.A N SER 103.A O no hydrogen 2.986 N/A ILE 108.A N LEU 104.A O no hydrogen 3.137 N/A GLY 109.A N ALA 105.A O no hydrogen 2.734 N/A ILE 110.A N ALA 105.A O no hydrogen 3.046 N/A VAL 116.A N LEU 316.A O no hydrogen 2.897 N/A THR 118.A N GLY 314.A O no hydrogen 3.069 N/A ALA 119.A N ALA 293.A O no hydrogen 3.148 N/A GLN 120.A N LEU 144.A O no hydrogen 3.060 N/A VAL 122.A N LYS 146.A O no hydrogen 2.967 N/A THR 126.A N GLN 129.A OE1 no hydrogen 2.919 N/A GLN 129.A N THR 126.A OG1 no hydrogen 3.105 N/A MET 130.A N THR 126.A O no hydrogen 2.845 N/A ALA 131.A N PRO 127.A O no hydrogen 2.863 N/A ASN 132.A N ASP 128.A O no hydrogen 2.923 N/A SER 133.A N GLN 129.A O no hydrogen 3.042 N/A ALA 134.A N MET 130.A O no hydrogen 3.035 N/A SER 135.A N ALA 131.A O no hydrogen 2.909 N/A THR 136.A N ASN 132.A O no hydrogen 2.926 N/A THR 136.A OG1 ASN 132.A O no hydrogen 3.095 N/A LEU 137.A N SER 133.A O no hydrogen 2.932 N/A TRP 138.A N ALA 134.A O no hydrogen 2.913 N/A GLN 139.A N SER 135.A O no hydrogen 2.911 N/A ALA 140.A N THR 136.A O no hydrogen 2.962 N/A GLY 141.A N TRP 138.A O no hydrogen 3.250 N/A ALA 142.A N LEU 137.A O no hydrogen 2.945 N/A LEU 145.A N THR 169.A O no hydrogen 2.913 N/A LYS 146.A N GLN 120.A O no hydrogen 2.696 N/A LYS 146.A NZ ASP 294.A OD2 no hydrogen 2.530 N/A VAL 147.A N ILE 171.A O no hydrogen 2.744 N/A LYS 148.A N VAL 122.A O no hydrogen 3.048 N/A LEU 149.A N ASP 173.A O no hydrogen 3.154 N/A HIS 152.A N ASP 150.A OD1 no hydrogen 2.638 N/A ARG 157.A N LEU 153.A O no hydrogen 3.160 N/A ARG 157.A NE GLY 125.A O no hydrogen 2.953 N/A ARG 157.A NH1 ASP 150.A OD1 no hydrogen 2.804 N/A MET 158.A N ILE 154.A O no hydrogen 3.306 N/A VAL 159.A N SER 155.A O no hydrogen 2.882 N/A ALA 160.A N GLU 156.A O no hydrogen 2.792 N/A ILE 161.A N ARG 157.A O no hydrogen 2.977 N/A ARG 162.A N MET 158.A O no hydrogen 3.028 N/A ARG 162.A NE LEU 193.A O no hydrogen 2.688 N/A ARG 162.A NH1 VAL 165.A O no hydrogen 2.919 N/A ARG 162.A NH1 ALA 168.A O no hydrogen 2.648 N/A ARG 162.A NH2 ALA 168.A O no hydrogen 3.408 N/A ARG 162.A NH2 LEU 193.A O no hydrogen 3.186 N/A ARG 162.A NH2 GLY 194.A O no hydrogen 3.418 N/A THR 163.A N VAL 159.A O no hydrogen 2.970 N/A THR 163.A OG1 VAL 159.A O no hydrogen 2.865 N/A ALA 164.A N ALA 160.A O no hydrogen 3.197 N/A VAL 165.A N ILE 161.A O no hydrogen 2.940 N/A ALA 168.A N VAL 165.A O no hydrogen 3.073 N/A THR 169.A N LYS 143.A O no hydrogen 2.896 N/A ILE 171.A N LEU 145.A O no hydrogen 2.984 N/A VAL 172.A N MET 197.A O no hydrogen 2.874 N/A ASP 173.A N VAL 147.A O no hydrogen 2.913 N/A ALA 174.A N GLU 199.A O no hydrogen 3.243 N/A ASN 175.A N ASP 173.A OD1 no hydrogen 3.061 N/A GLU 176.A N GLN 200.A O no hydrogen 2.754 N/A SER 177.A N ALA 174.A O no hydrogen 2.938 N/A SER 177.A OG LEU 149.A O no hydrogen 3.405 N/A SER 177.A OG ALA 174.A O no hydrogen 2.678 N/A TRP 178.A N PRO 201.A O no hydrogen 2.884 N/A TRP 178.A NE1 ASP 150.A O no hydrogen 2.839 N/A ARG 179.A NH1 GLU 176.A O no hydrogen 3.534 N/A ARG 179.A NH1 TRP 178.A O no hydrogen 2.736 N/A LEU 183.A N ALA 180.A O no hydrogen 2.979 N/A ARG 186.A N GLY 182.A O no hydrogen 3.193 N/A ARG 186.A NH1 ASN 151.A OD1 no hydrogen 3.085 N/A ARG 186.A NH2 ASN 151.A O no hydrogen 3.432 N/A ARG 186.A NH2 ASN 151.A OD1 no hydrogen 3.554 N/A CYS 187.A N LEU 183.A O no hydrogen 2.968 N/A CYS 187.A SG LEU 183.A O no hydrogen 3.207 N/A GLN 188.A N ALA 184.A O no hydrogen 2.843 N/A GLN 188.A NE2 GLN 188.A O no hydrogen 3.407 N/A LEU 189.A N ALA 185.A O no hydrogen 2.958 N/A LEU 190.A N ARG 186.A O no hydrogen 3.018 N/A ALA 191.A N CYS 187.A O no hydrogen 2.941 N/A ASP 192.A N GLN 188.A O no hydrogen 2.930 N/A LEU 193.A N LEU 189.A O no hydrogen 3.138 N/A LEU 193.A N LEU 190.A O no hydrogen 3.227 N/A GLY 194.A N ALA 191.A O no hydrogen 2.959 N/A VAL 195.A N LEU 190.A O no hydrogen 2.829 N/A ALA 196.A N LEU 170.A O no hydrogen 2.906 N/A LEU 198.A N PRO 218.A O no hydrogen 2.995 N/A GLU 199.A N VAL 172.A O no hydrogen 2.603 N/A GLN 200.A N CYS 220.A O no hydrogen 2.692 N/A GLN 200.A NE2 LEU 202.A O no hydrogen 2.740 N/A GLN 200.A NE2 SER 224.A OG no hydrogen 2.899 N/A ALA 204.A N GLU 176.A OE2 no hydrogen 2.660 N/A ASP 206.A N PRO 203.A O no hydrogen 2.930 N/A LEU 210.A N ASP 207.A O no hydrogen 3.236 N/A GLU 211.A N ALA 208.A O no hydrogen 2.872 N/A ASN 212.A N ALA 209.A O no hydrogen 3.168 N/A HIS 215.A ND1 GLU 239.A OE2 no hydrogen 2.845 N/A HIS 215.A NE2 LEU 210.A O no hydrogen 2.619 N/A ILE 219.A N GLU 239.A OE2 no hydrogen 2.817 N/A CYS 220.A N LEU 198.A O no hydrogen 2.673 N/A CYS 220.A SG ALA 221.A O no hydrogen 3.486 N/A ALA 221.A N MET 240.A O no hydrogen 2.739 N/A ASP 222.A N GLN 200.A OE1 no hydrogen 2.881 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.507 N/A SER 224.A N GLN 200.A OE1 no hydrogen 3.133 N/A SER 224.A OG ASP 207.A OD1 no hydrogen 3.349 N/A SER 224.A OG TYR 238.A OH no hydrogen 3.303 N/A CYS 225.A N ASP 222.A O no hydrogen 3.052 N/A HIS 226.A N ASN 230.A OD1 no hydrogen 3.184 N/A THR 227.A N ASN 230.A OD1 no hydrogen 3.055 N/A ARG 228.A N GLU 253.A OE2 no hydrogen 3.479 N/A ARG 228.A NE GLU 253.A OE2 no hydrogen 2.662 N/A ARG 228.A NH2 GLU 253.A OE1 no hydrogen 2.752 N/A ARG 228.A NH2 GLU 253.A OE2 no hydrogen 3.302 N/A SER 229.A N THR 227.A OG1 no hydrogen 3.236 N/A ASN 230.A N THR 227.A O no hydrogen 3.094 N/A LEU 231.A N ARG 228.A O no hydrogen 3.013 N/A LEU 234.A N ASN 230.A O no hydrogen 2.956 N/A LYS 235.A N LEU 231.A O no hydrogen 3.110 N/A LYS 235.A N LYS 232.A O no hydrogen 3.209 N/A LYS 235.A NZ GLN 264.A O no hydrogen 3.063 N/A ARG 237.A N LEU 234.A O no hydrogen 2.823 N/A ARG 237.A NH1 ASP 207.A OD2 no hydrogen 2.766 N/A ARG 237.A NH2 GLU 211.A OE1 no hydrogen 3.558 N/A TYR 238.A N LEU 234.A O no hydrogen 3.198 N/A TYR 238.A OH ASP 207.A OD1 no hydrogen 2.666 N/A TYR 238.A OH SER 224.A OG no hydrogen 3.303 N/A GLU 239.A N ILE 219.A O no hydrogen 2.918 N/A MET 240.A N ILE 219.A O no hydrogen 3.339 N/A VAL 241.A N SER 267.A O no hydrogen 3.169 N/A ASN 242.A N ALA 221.A O no hydrogen 2.665 N/A ASN 242.A ND2 GLU 199.A OE2 no hydrogen 2.634 N/A ILE 243.A N MET 269.A O no hydrogen 2.878 N/A LYS 244.A NZ CYS 272.A O no hydrogen 3.383 N/A LYS 247.A N LYS 244.A O no hydrogen 2.936 N/A LYS 247.A NZ ASP 222.A O no hydrogen 2.757 N/A LYS 247.A NZ ASP 222.A OD1 no hydrogen 2.967 N/A LYS 247.A NZ CYS 225.A O no hydrogen 3.208 N/A LYS 247.A NZ ASN 242.A O no hydrogen 2.948 N/A THR 248.A N LYS 244.A O no hydrogen 2.947 N/A THR 248.A OG1 LYS 244.A O no hydrogen 3.458 N/A THR 248.A OG1 LEU 245.A O no hydrogen 3.313 N/A THR 248.A OG1 GLY 250.A O no hydrogen 2.929 N/A GLY 249.A N LEU 245.A O no hydrogen 2.756 N/A GLY 250.A N LEU 245.A O no hydrogen 2.958 N/A THR 252.A N ASP 89.A OD1 no hydrogen 3.102 N/A THR 252.A OG1 ASP 89.A OD1 no hydrogen 3.280 N/A THR 252.A OG1 ASP 89.A OD2 no hydrogen 2.630 N/A ALA 254.A N GLY 250.A O no hydrogen 3.137 N/A LEU 255.A N LEU 251.A O no hydrogen 2.829 N/A ALA 256.A N THR 252.A O no hydrogen 3.228 N/A LEU 257.A N GLU 253.A O no hydrogen 2.726 N/A ALA 258.A N ALA 254.A O no hydrogen 2.851 N/A THR 259.A N LEU 255.A O no hydrogen 3.083 N/A THR 259.A OG1 LEU 255.A O no hydrogen 3.242 N/A GLU 260.A N ALA 256.A O no hydrogen 2.899 N/A ALA 261.A N LEU 257.A O no hydrogen 2.642 N/A ARG 262.A N ALA 258.A O no hydrogen 3.002 N/A ALA 263.A N THR 259.A O no hydrogen 3.113 N/A GLN 264.A N GLU 260.A O no hydrogen 3.362 N/A GLN 264.A N ALA 261.A O no hydrogen 3.013 N/A GLN 264.A NE2 GLU 260.A OE2 no hydrogen 3.248 N/A GLY 265.A N ARG 262.A O no hydrogen 2.633 N/A PHE 266.A N ALA 261.A O no hydrogen 3.068 N/A SER 267.A N GLU 239.A O no hydrogen 2.901 N/A SER 267.A OG GLU 239.A O no hydrogen 3.022 N/A MET 269.A N VAL 241.A O no hydrogen 3.126 N/A LEU 270.A N PHE 292.A O no hydrogen 3.041 N/A GLY 271.A N ILE 243.A O no hydrogen 2.789 N/A CYS 272.A SG MET 273.A O no hydrogen 3.323 N/A CYS 272.A SG ASP 294.A O no hydrogen 3.464 N/A CYS 275.A SG MET 273.A O no hydrogen 3.354 N/A CYS 275.A SG THR 276.A O no hydrogen 3.612 N/A THR 276.A N GLU 41.A OE2 no hydrogen 2.947 N/A THR 276.A OG1 GLU 41.A OE1 no hydrogen 2.499 N/A THR 276.A OG1 GLU 41.A OE2 no hydrogen 3.324 N/A SER 277.A N ASP 304.A OD1 no hydrogen 3.104 N/A SER 277.A OG ASP 304.A OD2 no hydrogen 2.511 N/A ARG 278.A N THR 276.A OG1 no hydrogen 3.178 N/A ARG 278.A NE GLU 41.A OE1 no hydrogen 2.773 N/A ARG 278.A NE THR 276.A OG1 no hydrogen 3.372 N/A ARG 278.A NH2 GLU 12.A OE1 no hydrogen 2.878 N/A ARG 278.A NH2 GLU 41.A OE1 no hydrogen 2.772 N/A ALA 279.A N THR 276.A O no hydrogen 3.044 N/A SER 281.A N SER 277.A O no hydrogen 2.915 N/A SER 281.A OG SER 277.A O no hydrogen 3.126 N/A ALA 282.A N ARG 278.A O no hydrogen 3.300 N/A ALA 283.A N ILE 280.A O no hydrogen 2.734 N/A LEU 284.A N ILE 280.A O no hydrogen 3.001 N/A LEU 286.A N ALA 283.A O no hydrogen 2.964 N/A VAL 287.A N LEU 284.A O no hydrogen 2.720 N/A GLN 289.A N LEU 286.A O no hydrogen 2.787 N/A VAL 290.A N VAL 287.A O no hydrogen 3.199 N/A SER 291.A N LEU 268.A O no hydrogen 2.940 N/A ASP 294.A N LEU 270.A O no hydrogen 2.776 N/A THR 299.A N ASP 296.A O no hydrogen 2.870 N/A THR 299.A OG1 ASP 296.A O no hydrogen 2.742 N/A TRP 300.A N GLY 297.A O no hydrogen 2.989 N/A TRP 300.A NE1 ASP 296.A OD2 no hydrogen 3.140 N/A LEU 301.A N PRO 298.A O no hydrogen 2.981 N/A ALA 302.A N PRO 15.A O no hydrogen 2.973 N/A VAL 305.A N ASP 304.A OD1 no hydrogen 2.474 N/A LEU 309.A N SER 277.A OG no hydrogen 2.953 N/A GLN 310.A NE2 ALA 308.A O no hydrogen 3.364 N/A THR 312.A N GLU 315.A O no hydrogen 2.994 N/A THR 312.A OG1 GLU 315.A OE1 no hydrogen 3.269 N/A THR 312.A OG1 HIS 317.A NE2 no hydrogen 2.946 N/A GLY 314.A N GLN 120.A OE1 no hydrogen 3.087 N/A GLU 315.A N THR 312.A O no hydrogen 2.688 N/A LEU 316.A N VAL 116.A O no hydrogen 2.898 N/A HIS 317.A N GLN 310.A O no hydrogen 2.762 N/A HIS 317.A NE2 THR 312.A OG1 no hydrogen 2.946 N/A LEU 318.A N GLU 114.A O no hydrogen 2.935 N/A