Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ijp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N TYR 5.A O no hydrogen 3.061 N/A GLY 4.A N GLU 3.A OE1 no hydrogen 2.828 N/A TYR 5.A N GLU 3.A OE1 no hydrogen 2.780 N/A TYR 5.A OH VAL 28.A O no hydrogen 2.662 N/A TYR 6.A OH GLU 12.A OE1 no hydrogen 2.829 N/A GLY 11.A N VAL 20.A O no hydrogen 2.818 N/A LEU 14.A N TYR 18.A O no hydrogen 2.798 N/A ARG 17.A N LEU 14.A O no hydrogen 3.159 N/A ARG 17.A NE ASP 37.A OD1 no hydrogen 2.861 N/A ARG 17.A NE ASP 37.A OD2 no hydrogen 3.311 N/A ARG 17.A NH2 ASP 37.A OD2 no hydrogen 2.760 N/A TYR 18.A N LEU 14.A O no hydrogen 2.787 N/A ASN 19.A N ARG 36.A O no hydrogen 2.982 N/A VAL 20.A N GLU 12.A O no hydrogen 3.102 N/A TYR 21.A N ARG 34.A O no hydrogen 3.173 N/A TYR 23.A OH VAL 8.A O no hydrogen 2.912 N/A THR 24.A OG1 VAL 32.A O no hydrogen 2.680 N/A GLN 26.A NE2 VAL 32.A O no hydrogen 3.354 N/A SER 30.A OG PHE 29.A O no hydrogen 2.841 N/A VAL 33.A N VAL 47.A O no hydrogen 2.816 N/A ARG 34.A N GLY 22.A O no hydrogen 2.987 N/A ARG 34.A NH1 SER 102.A O no hydrogen 2.874 N/A ALA 35.A N VAL 45.A O no hydrogen 2.988 N/A ARG 36.A N ASN 19.A O no hydrogen 3.003 N/A ASP 37.A N GLN 43.A O no hydrogen 2.854 N/A ASN 38.A N ARG 17.A O no hydrogen 2.985 N/A ALA 39.A N ASP 37.A OD1 no hydrogen 3.331 N/A ARG 40.A N ASP 37.A O no hydrogen 2.942 N/A ARG 40.A NH2 ALA 39.A O no hydrogen 2.832 N/A GLN 43.A N ARG 40.A O no hydrogen 3.227 N/A VAL 45.A N ALA 35.A O no hydrogen 2.798 N/A ALA 46.A N PHE 98.A O no hydrogen 3.182 N/A VAL 47.A N VAL 33.A O no hydrogen 2.857 N/A LYS 48.A N LEU 96.A O no hydrogen 2.908 N/A LYS 48.A NZ GLU 63.A OE1 no hydrogen 3.118 N/A LYS 48.A NZ GLU 63.A OE2 no hydrogen 2.800 N/A LYS 48.A NZ ASP 165.A OD1 no hydrogen 3.390 N/A ILE 49.A N ASN 31.A O no hydrogen 2.660 N/A ILE 50.A N LEU 94.A O no hydrogen 2.772 N/A ARG 51.A NH2 GLU 3.A O no hydrogen 2.793 N/A ASN 52.A N GLY 4.A O no hydrogen 2.876 N/A MET 56.A N ASN 53.A O no hydrogen 3.258 N/A GLN 57.A N ASN 53.A O no hydrogen 2.944 N/A LYS 58.A N GLU 54.A O no hydrogen 3.348 N/A THR 59.A OG1 LEU 55.A O no hydrogen 2.738 N/A GLY 60.A N MET 56.A O no hydrogen 2.791 N/A LEU 61.A N GLN 57.A O no hydrogen 3.167 N/A LYS 62.A N LYS 58.A O no hydrogen 3.104 N/A GLU 63.A N THR 59.A O no hydrogen 2.960 N/A LEU 64.A N GLY 60.A O no hydrogen 2.944 N/A GLU 65.A N LEU 61.A O no hydrogen 3.178 N/A PHE 66.A N LYS 62.A O no hydrogen 3.065 N/A LEU 67.A N GLU 63.A O no hydrogen 2.979 N/A LYS 68.A N LEU 64.A O no hydrogen 3.254 N/A LYS 69.A N GLU 65.A O no hydrogen 3.249 N/A LYS 69.A NZ CYS 140.A O no hydrogen 2.798 N/A LEU 70.A N PHE 66.A O no hydrogen 3.086 N/A ASN 71.A N LEU 67.A O no hydrogen 3.029 N/A ASP 72.A N LYS 68.A O no hydrogen 3.054 N/A ALA 73.A N LYS 69.A O no hydrogen 3.310 N/A ASP 74.A N ASN 71.A O no hydrogen 3.290 N/A LYS 78.A N ASP 74.A OD1 no hydrogen 3.072 N/A PHE 79.A N ASP 74.A OD2 no hydrogen 2.847 N/A CYS 81.A SG PHE 79.A O no hydrogen 3.793 N/A LEU 82.A N LEU 163.A O no hydrogen 3.099 N/A ARG 83.A N GLU 99.A OE1 no hydrogen 2.830 N/A ARG 83.A NH1 ASN 71.A O no hydrogen 3.508 N/A ARG 83.A NH1 ASP 74.A O no hydrogen 2.720 N/A ARG 83.A NH2 ASN 71.A O no hydrogen 3.300 N/A ARG 83.A NH2 ASP 74.A O no hydrogen 2.910 N/A PHE 85.A N VAL 97.A O no hydrogen 2.747 N/A ARG 86.A NH1 ASP 15.A OD2 no hydrogen 2.781 N/A ARG 86.A NH1 TYR 18.A OH no hydrogen 2.901 N/A ARG 86.A NH2 ASP 15.A OD2 no hydrogen 2.890 N/A PHE 88.A N CYS 95.A O no hydrogen 2.950 N/A HIS 90.A N HIS 93.A O no hydrogen 2.909 N/A HIS 93.A N HIS 90.A O no hydrogen 3.080 N/A CYS 95.A N PHE 88.A O no hydrogen 2.737 N/A CYS 95.A SG HIS 93.A O no hydrogen 3.633 N/A LEU 96.A N LYS 48.A O no hydrogen 2.953 N/A VAL 97.A N ARG 86.A O no hydrogen 2.833 N/A PHE 98.A N ALA 46.A O no hydrogen 2.728 N/A LEU 101.A N GLU 99.A O no hydrogen 2.876 N/A ASN 104.A N GLU 107.A OE1 no hydrogen 3.078 N/A LEU 105.A N ILE 152.A O no hydrogen 2.823 N/A ARG 106.A N PRO 149.A O no hydrogen 3.312 N/A GLU 107.A N ASN 104.A O no hydrogen 3.206 N/A GLU 107.A N ASN 104.A OD1 no hydrogen 2.930 N/A VAL 108.A N ASN 104.A O no hydrogen 3.259 N/A LEU 109.A N LEU 105.A O no hydrogen 3.133 N/A LYS 110.A N ARG 106.A O no hydrogen 3.350 N/A LYS 111.A N GLU 107.A O no hydrogen 3.367 N/A TYR 112.A N VAL 108.A O no hydrogen 3.121 N/A TYR 112.A N LEU 109.A O no hydrogen 3.307 N/A GLY 113.A N LEU 109.A O no hydrogen 3.311 N/A LEU 118.A N LEU 212.A O no hydrogen 2.737 N/A LYS 121.A N HIS 119.A ND1 no hydrogen 3.150 N/A VAL 123.A N HIS 119.A O no hydrogen 3.008 N/A ARG 124.A N ILE 120.A O no hydrogen 2.979 N/A ARG 124.A NH2 ILE 328.A O no hydrogen 3.078 N/A SER 125.A N LYS 121.A O no hydrogen 3.109 N/A SER 125.A OG GLN 129.A OE1 no hydrogen 3.142 N/A TYR 126.A N ALA 122.A O no hydrogen 2.805 N/A TYR 126.A OH LYS 158.A O no hydrogen 2.617 N/A SER 127.A N VAL 123.A O no hydrogen 2.899 N/A SER 127.A OG VAL 123.A O no hydrogen 2.677 N/A GLN 128.A N ARG 124.A O no hydrogen 3.405 N/A GLN 129.A N SER 125.A O no hydrogen 3.314 N/A GLN 129.A NE2 THR 159.A O no hydrogen 3.547 N/A LEU 130.A N TYR 126.A O no hydrogen 2.952 N/A PHE 131.A N SER 127.A O no hydrogen 2.845 N/A LEU 132.A N GLN 128.A O no hydrogen 2.875 N/A ALA 133.A N GLN 129.A O no hydrogen 3.081 N/A LEU 134.A N LEU 130.A O no hydrogen 3.210 N/A LYS 135.A N PHE 131.A O no hydrogen 3.127 N/A LEU 136.A N LEU 132.A O no hydrogen 3.361 N/A LEU 137.A N ALA 133.A O no hydrogen 3.148 N/A LYS 138.A N LEU 134.A O no hydrogen 3.052 N/A ARG 139.A N LYS 135.A O no hydrogen 3.077 N/A CYS 140.A N LEU 136.A O no hydrogen 2.977 N/A CYS 140.A SG LYS 69.A O no hydrogen 3.956 N/A CYS 140.A SG LEU 136.A O no hydrogen 3.371 N/A ASN 141.A N LYS 138.A O no hydrogen 3.138 N/A ILE 142.A N LEU 137.A O no hydrogen 2.756 N/A LEU 143.A N SER 170.A O no hydrogen 2.801 N/A HIS 144.A N ASP 201.A OD2 no hydrogen 2.802 N/A HIS 144.A NE2 CYS 164.A O no hydrogen 2.754 N/A ALA 145.A N ASP 201.A OD1 no hydrogen 3.099 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.141 N/A LYS 148.A NZ SER 182.A OG no hydrogen 2.819 N/A ASN 151.A N LYS 148.A O no hydrogen 2.972 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.778 N/A ASN 151.A ND2 ASP 146.A OD2 no hydrogen 2.858 N/A ILE 152.A N PRO 149.A O no hydrogen 3.421 N/A LEU 153.A N LYS 162.A O no hydrogen 2.795 N/A VAL 154.A N MET 103.A O no hydrogen 2.858 N/A ASN 155.A N ILE 160.A O no hydrogen 3.100 N/A LYS 158.A N ASN 155.A O no hydrogen 2.988 N/A ILE 160.A N ASN 155.A OD1 no hydrogen 2.899 N/A LYS 162.A N LEU 153.A O no hydrogen 2.727 N/A LYS 162.A NZ ASP 77.A OD1 no hydrogen 3.237 N/A LYS 162.A NZ ASP 77.A OD2 no hydrogen 2.770 N/A LYS 162.A NZ GLU 99.A OE1 no hydrogen 2.945 N/A LYS 162.A NZ GLU 99.A OE2 no hydrogen 2.990 N/A LEU 163.A N HIS 80.A O no hydrogen 3.136 N/A CYS 164.A N ASN 151.A O no hydrogen 2.747 N/A CYS 164.A SG ASN 151.A O no hydrogen 3.343 N/A PHE 166.A N GLU 63.A OE2 no hydrogen 3.374 N/A SER 168.A OG ALA 145.A O no hydrogen 3.524 N/A SER 170.A N LEU 143.A O no hydrogen 2.972 N/A VAL 172.A N ASN 141.A O no hydrogen 3.374 N/A ALA 173.A N HIS 171.A ND1 no hydrogen 3.393 N/A ASN 175.A ND2 VAL 172.A O no hydrogen 2.882 N/A SER 182.A OG ASP 146.A OD1 no hydrogen 2.690 N/A ARG 183.A NE GLY 221.A O no hydrogen 2.754 N/A ARG 183.A NH2 GLY 221.A O no hydrogen 3.481 N/A TYR 185.A N SER 182.A O no hydrogen 2.787 N/A TYR 185.A OH GLU 211.A OE1 no hydrogen 2.621 N/A TYR 185.A OH GLU 211.A OE2 no hydrogen 3.391 N/A ARG 186.A N ARG 183.A O no hydrogen 3.335 N/A ARG 186.A NE LEU 180.A O no hydrogen 2.948 N/A ARG 186.A NE VAL 181.A O no hydrogen 2.885 N/A ARG 186.A NH1 VAL 181.A O no hydrogen 2.824 N/A ARG 186.A NH2 ASN 224.A OD1 no hydrogen 2.805 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.864 N/A ILE 190.A N ALA 187.A O no hydrogen 3.271 N/A ILE 192.A N PRO 188.A O no hydrogen 3.111 N/A GLY 193.A N GLU 189.A O no hydrogen 3.269 N/A LYS 194.A N GLU 189.A O no hydrogen 2.878 N/A TYR 196.A OH ASP 176.A O no hydrogen 2.732 N/A GLY 199.A N ASP 197.A OD2 no hydrogen 3.357 N/A ASP 201.A N TYR 198.A O no hydrogen 3.155 N/A MET 202.A N TYR 198.A O no hydrogen 3.332 N/A TRP 203.A N GLY 199.A O no hydrogen 2.912 N/A SER 204.A N ILE 200.A O no hydrogen 3.237 N/A SER 204.A OG TYR 185.A O no hydrogen 2.870 N/A SER 204.A OG ILE 200.A O no hydrogen 2.956 N/A VAL 205.A N ASP 201.A O no hydrogen 3.177 N/A GLY 206.A N MET 202.A O no hydrogen 3.138 N/A CYS 207.A N TRP 203.A O no hydrogen 3.085 N/A CYS 207.A SG PHE 184.A O no hydrogen 3.974 N/A CYS 207.A SG TRP 203.A O no hydrogen 3.414 N/A THR 208.A N SER 204.A O no hydrogen 2.993 N/A THR 208.A OG1 SER 204.A O no hydrogen 2.694 N/A LEU 209.A N VAL 205.A O no hydrogen 2.760 N/A TYR 210.A N GLY 206.A O no hydrogen 3.285 N/A GLU 211.A N CYS 207.A O no hydrogen 3.318 N/A LEU 212.A N THR 208.A O no hydrogen 2.778 N/A TYR 213.A N LEU 209.A O no hydrogen 3.353 N/A THR 214.A N TYR 210.A O no hydrogen 2.925 N/A THR 214.A OG1 TYR 210.A O no hydrogen 2.664 N/A THR 214.A OG1 LYS 216.A O no hydrogen 3.304 N/A GLY 215.A N GLU 211.A O no hydrogen 2.859 N/A LYS 216.A NZ ASP 115.A OD2 no hydrogen 3.465 N/A LYS 222.A N HIS 226.A ND1 no hydrogen 3.304 N/A ASN 224.A ND2 PRO 179.A O no hydrogen 3.081 N/A ASN 225.A ND2 HIS 252.A ND1 no hydrogen 3.173 N/A ASN 225.A ND2 MET 260.A O no hydrogen 2.768 N/A MET 227.A N THR 223.A O no hydrogen 3.070 N/A LEU 228.A N ASN 224.A O no hydrogen 3.417 N/A LYS 229.A N ASN 225.A O no hydrogen 3.349 N/A LYS 229.A NZ ASP 233.A OD1 no hydrogen 2.767 N/A LEU 230.A N HIS 226.A O no hydrogen 3.129 N/A ALA 231.A N MET 227.A O no hydrogen 3.169 N/A MET 232.A N LEU 228.A O no hydrogen 2.838 N/A LYS 235.A N ALA 231.A O no hydrogen 3.461 N/A LYS 235.A NZ ASP 306.A OD1 no hydrogen 3.175 N/A LYS 237.A NZ LEU 257.A O no hydrogen 2.816 N/A LYS 237.A NZ SER 274.A O no hydrogen 2.946 N/A MET 242.A N PRO 239.A O no hydrogen 3.071 N/A ILE 243.A N PRO 239.A O no hydrogen 3.223 N/A ARG 244.A N ASN 240.A O no hydrogen 3.481 N/A LYS 245.A N MET 242.A O no hydrogen 3.307 N/A GLY 246.A N ILE 243.A O no hydrogen 3.150 N/A VAL 247.A N GLY 193.A O no hydrogen 3.182 N/A PHE 248.A N ILE 192.A O no hydrogen 2.742 N/A HIS 252.A N LYS 249.A O no hydrogen 3.368 N/A PHE 253.A N LYS 249.A O no hydrogen 2.733 N/A ASP 254.A N ASN 258.A O no hydrogen 3.293 N/A ASN 256.A ND2 ASP 254.A OD2 no hydrogen 3.441 N/A LEU 257.A N ASP 254.A O no hydrogen 3.209 N/A ASN 258.A N ASP 254.A OD1 no hydrogen 2.894 N/A ASN 258.A ND2 SER 274.A O no hydrogen 3.445 N/A MET 260.A N HIS 252.A O no hydrogen 2.763 N/A TYR 261.A N THR 271.A O no hydrogen 3.051 N/A ILE 262.A N ASN 225.A OD1 no hydrogen 3.010 N/A GLU 263.A N LYS 269.A O no hydrogen 3.134 N/A LYS 269.A N GLU 263.A O no hydrogen 2.880 N/A THR 271.A N TYR 261.A O no hydrogen 2.836 N/A THR 271.A OG1 GLU 263.A OE1 no hydrogen 3.002 N/A MET 273.A N PHE 259.A O no hydrogen 3.007 N/A THR 279.A N ASP 233.A O no hydrogen 2.888 N/A LYS 280.A N ASP 233.A O no hydrogen 2.953 N/A ALA 284.A N ASP 281.A OD1 no hydrogen 3.026 N/A ASP 285.A N ASP 281.A O no hydrogen 3.367 N/A LEU 286.A N LEU 282.A O no hydrogen 3.237 N/A ILE 287.A N LEU 283.A O no hydrogen 3.115 N/A GLN 294.A N PRO 291.A O no hydrogen 3.135 N/A ARG 295.A N PRO 291.A O no hydrogen 2.890 N/A LYS 296.A N GLU 292.A O no hydrogen 2.989 N/A VAL 298.A N GLN 294.A O no hydrogen 3.023 N/A HIS 299.A N ARG 295.A O no hydrogen 3.247 N/A HIS 299.A ND1 ARG 295.A O no hydrogen 2.757 N/A GLN 300.A N LYS 296.A O no hydrogen 3.199 N/A GLN 300.A NE2 LYS 296.A O no hydrogen 2.836 N/A LEU 301.A N LYS 297.A O no hydrogen 3.070 N/A LYS 302.A N VAL 298.A O no hydrogen 3.085 N/A LYS 302.A NZ ASP 306.A OD1 no hydrogen 3.101 N/A LYS 302.A NZ ASP 306.A OD2 no hydrogen 2.772 N/A ASP 303.A N HIS 299.A O no hydrogen 3.230 N/A LEU 304.A N GLN 300.A O no hydrogen 3.089 N/A LEU 305.A N LEU 301.A O no hydrogen 2.818 N/A ASP 306.A N LYS 302.A O no hydrogen 3.009 N/A GLN 307.A N ASP 303.A O no hydrogen 3.235 N/A ILE 308.A N LEU 304.A O no hydrogen 3.048 N/A LEU 309.A N LEU 305.A O no hydrogen 2.766 N/A ALA 314.A N ASP 312.A OD1 no hydrogen 3.152 N/A LYS 315.A N ASP 312.A O no hydrogen 3.256 N/A ARG 316.A NE MET 310.A O no hydrogen 3.010 N/A ARG 316.A NH1 GLU 189.A OE1 no hydrogen 3.539 N/A ARG 316.A NH1 GLU 189.A OE2 no hydrogen 2.792 N/A ARG 316.A NH1 GLY 199.A O no hydrogen 2.928 N/A ARG 316.A NH2 GLU 189.A OE1 no hydrogen 3.084 N/A ARG 316.A NH2 MET 310.A O no hydrogen 2.807 N/A ILE 317.A N GLN 307.A O no hydrogen 3.184 N/A GLN 321.A N SER 318.A OG no hydrogen 3.322 N/A ALA 322.A N SER 318.A O no hydrogen 3.049 N/A LEU 323.A N ILE 319.A O no hydrogen 3.016 N/A GLN 324.A N ASN 320.A O no hydrogen 2.943 N/A HIS 325.A NE2 ASP 303.A OD2 no hydrogen 2.877 N/A HIS 325.A NE2 GLN 307.A OE1 no hydrogen 3.002 N/A PHE 327.A N HIS 325.A ND1 no hydrogen 3.171 N/A ILE 328.A N HIS 325.A O no hydrogen 3.184 N/A GLN 329.A N HIS 325.A O no hydrogen 3.094 N/A GLN 329.A NE2 LEU 323.A O no hydrogen 3.357 N/A