Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aj2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 10.A O no hydrogen 2.898 N/A ALA 5.A N THR 8.A O no hydrogen 2.788 N/A THR 8.A N ALA 5.A O no hydrogen 2.767 N/A THR 8.A OG1 ALA 5.A O no hydrogen 2.969 N/A LEU 10.A N LEU 3.A O no hydrogen 2.866 N/A LEU 12.A N MET 1.A O no hydrogen 2.968 N/A SER 13.A OG ASP 11.A OD1 no hydrogen 3.278 N/A HIS 16.A N HIS 252.A O no hydrogen 2.958 N/A MET 18.A N ILE 254.A O no hydrogen 3.034 N/A GLY 19.A N ILE 54.A O no hydrogen 2.814 N/A ILE 20.A N VAL 256.A O no hydrogen 3.148 N/A LEU 21.A N ASP 56.A O no hydrogen 2.985 N/A VAL 23.A N GLY 58.A O no hydrogen 2.761 N/A THR 24.A N SER 27.A OG no hydrogen 3.047 N/A THR 24.A OG1 SER 27.A OG no hydrogen 2.722 N/A SER 27.A N THR 24.A O no hydrogen 2.874 N/A SER 27.A OG THR 24.A O no hydrogen 3.163 N/A SER 27.A OG THR 24.A OG1 no hydrogen 2.722 N/A PHE 28.A N THR 24.A O no hydrogen 2.660 N/A SER 29.A OG ASP 30.A OD1 no hydrogen 3.392 N/A THR 33.A OG1 GLY 32.A O no hydrogen 2.612 N/A HIS 34.A ND1 SER 29.A O no hydrogen 2.776 N/A LEU 37.A N HIS 34.A O no hydrogen 2.931 N/A ILE 38.A N ASN 35.A O no hydrogen 2.985 N/A ALA 40.A N SER 36.A O no hydrogen 2.946 N/A VAL 41.A N LEU 37.A O no hydrogen 3.214 N/A LYS 42.A N ILE 38.A O no hydrogen 2.758 N/A HIS 43.A N ASP 39.A O no hydrogen 2.707 N/A ALA 44.A N ALA 40.A O no hydrogen 2.936 N/A ASN 45.A N VAL 41.A O no hydrogen 3.431 N/A LEU 46.A N LYS 42.A O no hydrogen 3.047 N/A MET 47.A N HIS 43.A O no hydrogen 3.198 N/A ILE 48.A N ALA 44.A O no hydrogen 2.827 N/A ASN 49.A N ASN 45.A O no hydrogen 2.880 N/A ALA 50.A N MET 47.A O no hydrogen 2.682 N/A GLY 51.A N MET 47.A O no hydrogen 2.880 N/A GLY 51.A N ILE 48.A O no hydrogen 2.909 N/A ALA 52.A N MET 47.A O no hydrogen 3.168 N/A THR 53.A N VAL 17.A O no hydrogen 2.980 N/A ILE 55.A N TRP 92.A O no hydrogen 2.893 N/A ASP 56.A N GLY 19.A O no hydrogen 2.803 N/A VAL 57.A N SER 94.A O no hydrogen 2.960 N/A GLY 58.A N LEU 21.A O no hydrogen 3.136 N/A ARG 63.A N SER 61.A OG no hydrogen 3.253 N/A GLY 65.A N LYS 146.A O no hydrogen 2.669 N/A SER 70.A N GLU 73.A OE2 no hydrogen 2.921 N/A SER 70.A OG GLU 73.A OE2 no hydrogen 2.842 N/A GLU 73.A N SER 70.A OG no hydrogen 3.292 N/A GLU 74.A N SER 70.A O no hydrogen 2.914 N/A LEU 75.A N VAL 71.A O no hydrogen 2.745 N/A GLN 76.A N GLU 72.A O no hydrogen 2.850 N/A ARG 77.A NE PHE 28.A O no hydrogen 2.979 N/A ARG 77.A NH1 GLU 73.A O no hydrogen 3.569 N/A ARG 77.A NH2 PHE 28.A O no hydrogen 3.228 N/A ARG 77.A NH2 GLY 31.A O no hydrogen 2.885 N/A VAL 78.A N GLU 74.A O no hydrogen 2.891 N/A VAL 81.A N ARG 77.A O no hydrogen 3.475 N/A VAL 82.A N VAL 78.A O no hydrogen 2.890 N/A GLU 83.A N ILE 79.A O no hydrogen 2.888 N/A ALA 84.A N PRO 80.A O no hydrogen 3.084 N/A ILE 85.A N VAL 81.A O no hydrogen 3.148 N/A ALA 86.A N VAL 82.A O no hydrogen 3.066 N/A GLN 87.A N GLU 83.A O no hydrogen 3.100 N/A GLN 87.A N ALA 84.A O no hydrogen 3.220 N/A GLN 87.A NE2 GLU 83.A O no hydrogen 3.560 N/A ARG 88.A N ALA 84.A O no hydrogen 2.942 N/A PHE 89.A N ILE 85.A O no hydrogen 2.758 N/A TRP 92.A N THR 53.A O no hydrogen 3.116 N/A TRP 92.A NE1 THR 8.A OG1 no hydrogen 2.888 N/A SER 94.A N ILE 55.A O no hydrogen 2.925 N/A VAL 95.A N ILE 113.A O no hydrogen 3.043 N/A ASP 96.A N VAL 57.A O no hydrogen 2.946 N/A THR 97.A OG1 GLU 74.A OE1 no hydrogen 2.723 N/A SER 98.A OG ASP 116.A OD1 no hydrogen 2.901 N/A LYS 99.A N THR 97.A OG1 no hydrogen 3.065 N/A LYS 99.A NZ VAL 69.A O no hydrogen 3.381 N/A LYS 99.A NZ GLU 74.A OE2 no hydrogen 3.391 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.929 N/A ILE 103.A N LYS 99.A O no hydrogen 3.045 N/A ARG 104.A N PRO 100.A O no hydrogen 2.886 N/A ARG 104.A NE GLU 131.A OE1 no hydrogen 2.808 N/A ARG 104.A NE GLU 131.A OE2 no hydrogen 3.215 N/A ARG 104.A NH2 GLU 131.A OE1 no hydrogen 2.766 N/A GLU 105.A N GLU 101.A O no hydrogen 2.934 N/A SER 106.A N VAL 102.A O no hydrogen 3.018 N/A SER 106.A OG VAL 102.A O no hydrogen 2.879 N/A ALA 107.A N ILE 103.A O no hydrogen 3.222 N/A LYS 108.A N ARG 104.A O no hydrogen 3.435 N/A LYS 108.A NZ GLU 105.A OE2 no hydrogen 3.440 N/A VAL 109.A N GLU 105.A O no hydrogen 3.173 N/A GLY 110.A N ALA 107.A O no hydrogen 3.121 N/A ALA 111.A N SER 106.A O no hydrogen 2.867 N/A HIS 112.A N ILE 93.A O no hydrogen 2.710 N/A ILE 113.A N ILE 93.A O no hydrogen 3.188 N/A ILE 114.A N PRO 135.A O no hydrogen 2.879 N/A ASN 115.A N VAL 95.A O no hydrogen 2.883 N/A ASN 115.A ND2 ASP 56.A OD1 no hydrogen 3.296 N/A ARG 118.A N ASP 116.A OD1 no hydrogen 3.057 N/A ARG 118.A NH1 GLU 60.A OE1 no hydrogen 2.909 N/A ARG 118.A NH1 SER 98.A OG no hydrogen 2.886 N/A ARG 118.A NH2 GLU 60.A OE1 no hydrogen 3.541 N/A ARG 118.A NH2 GLU 60.A OE2 no hydrogen 3.292 N/A SER 119.A N ASP 116.A O no hydrogen 2.760 N/A SER 119.A OG MET 139.A O no hydrogen 2.923 N/A SER 119.A OG TYR 164.A OH no hydrogen 2.905 N/A LEU 120.A N ASP 116.A OD2 no hydrogen 2.810 N/A SER 121.A N ARG 118.A O no hydrogen 3.237 N/A SER 121.A OG ARG 118.A O no hydrogen 2.621 N/A ALA 125.A N GLU 122.A O no hydrogen 2.798 N/A ALA 128.A N GLY 124.A O no hydrogen 3.328 N/A ALA 129.A N ALA 125.A O no hydrogen 2.981 N/A ALA 130.A N LEU 126.A O no hydrogen 2.766 N/A GLU 131.A N GLU 127.A O no hydrogen 2.855 N/A THR 132.A N ALA 128.A O no hydrogen 3.113 N/A GLY 133.A N ALA 129.A O no hydrogen 3.000 N/A VAL 136.A N LYS 181.A O no hydrogen 3.010 N/A CYS 137.A N ILE 114.A O no hydrogen 2.940 N/A CYS 137.A SG ASN 115.A OD1 no hydrogen 3.899 N/A CYS 137.A SG LEU 138.A O no hydrogen 3.970 N/A LEU 138.A N LEU 183.A O no hydrogen 2.888 N/A MET 139.A N SER 119.A OG no hydrogen 2.770 N/A HIS 140.A N ASP 185.A O no hydrogen 3.120 N/A GLN 142.A N PHE 190.A O no hydrogen 3.449 N/A ASN 144.A N GLN 149.A OE1 no hydrogen 3.005 N/A LYS 146.A N ASN 144.A OD1 no hydrogen 2.816 N/A LYS 146.A NZ GLU 60.A OE2 no hydrogen 2.990 N/A LYS 146.A NZ SER 61.A O no hydrogen 2.817 N/A LYS 146.A NZ ALA 67.A O no hydrogen 3.434 N/A THR 147.A N ASN 144.A O no hydrogen 3.234 N/A THR 147.A OG1 ASN 144.A O no hydrogen 2.444 N/A THR 147.A OG1 GLN 149.A OE1 no hydrogen 2.737 N/A TYR 154.A OH GLY 191.A O no hydrogen 2.791 N/A ALA 159.A N ASP 156.A OD1 no hydrogen 3.135 N/A GLU 160.A N ASP 156.A O no hydrogen 3.214 N/A VAL 161.A N VAL 157.A O no hydrogen 2.883 N/A ASN 162.A N PHE 158.A O no hydrogen 2.816 N/A ARG 163.A N ALA 159.A O no hydrogen 2.884 N/A ARG 163.A NE GLU 160.A OE1 no hydrogen 3.197 N/A ARG 163.A NE GLU 160.A OE2 no hydrogen 3.339 N/A ARG 163.A NH1 GLU 167.A OE1 no hydrogen 2.758 N/A ARG 163.A NH2 GLU 160.A OE2 no hydrogen 2.898 N/A TYR 164.A N GLU 160.A O no hydrogen 2.964 N/A TYR 164.A OH SER 119.A OG no hydrogen 2.905 N/A TYR 164.A OH MET 139.A O no hydrogen 3.065 N/A PHE 165.A N VAL 161.A O no hydrogen 3.068 N/A ILE 166.A N ASN 162.A O no hydrogen 3.120 N/A GLU 167.A N ARG 163.A O no hydrogen 3.018 N/A GLN 168.A N TYR 164.A O no hydrogen 2.946 N/A ILE 169.A N PHE 165.A O no hydrogen 2.945 N/A ALA 170.A N ILE 166.A O no hydrogen 3.320 N/A ARG 171.A N GLU 167.A O no hydrogen 3.071 N/A ARG 171.A NH1 LEU 120.A O no hydrogen 2.870 N/A ARG 171.A NH2 LEU 120.A O no hydrogen 3.090 N/A CYS 172.A N GLN 168.A O no hydrogen 3.100 N/A CYS 172.A SG GLN 168.A O no hydrogen 3.248 N/A GLU 173.A N ILE 169.A O no hydrogen 2.861 N/A GLN 174.A N ALA 170.A O no hydrogen 2.884 N/A ALA 175.A N ARG 171.A O no hydrogen 3.033 N/A GLY 176.A N GLU 173.A O no hydrogen 2.708 N/A ILE 177.A N CYS 172.A O no hydrogen 2.957 N/A LYS 179.A N GLU 173.A OE1 no hydrogen 3.236 N/A LYS 181.A N ALA 178.A O no hydrogen 2.792 N/A LYS 181.A NZ GLY 133.A O no hydrogen 3.288 N/A LEU 182.A N LYS 179.A O no hydrogen 3.485 N/A LEU 183.A N VAL 136.A O no hydrogen 2.951 N/A LEU 184.A N PRO 213.A O no hydrogen 2.880 N/A ASP 185.A N LEU 138.A O no hydrogen 2.881 N/A GLY 187.A N ASP 185.A OD1 no hydrogen 3.020 N/A GLY 189.A N ASN 197.A OD1 no hydrogen 2.796 N/A PHE 190.A N GLY 187.A O no hydrogen 3.066 N/A LYS 192.A NZ PRO 186.A O no hydrogen 2.800 N/A LYS 192.A NZ GLY 187.A O no hydrogen 2.741 N/A LYS 192.A NZ PHE 190.A O no hydrogen 3.212 N/A ASN 193.A N HIS 196.A ND1 no hydrogen 3.327 N/A HIS 196.A N ASN 193.A OD1 no hydrogen 2.845 N/A ASN 197.A N ASN 193.A O no hydrogen 2.956 N/A ASN 197.A ND2 ASN 193.A O no hydrogen 3.016 N/A TYR 198.A N LEU 194.A O no hydrogen 3.044 N/A TYR 198.A OH MET 223.A O no hydrogen 2.637 N/A SER 199.A N SER 195.A O no hydrogen 2.899 N/A LEU 200.A N HIS 196.A O no hydrogen 3.025 N/A LEU 201.A N ASN 197.A O no hydrogen 2.904 N/A ALA 202.A N TYR 198.A O no hydrogen 2.741 N/A ARG 203.A N SER 199.A O no hydrogen 3.178 N/A ARG 203.A NE GLU 206.A OE2 no hydrogen 3.413 N/A ARG 203.A NH2 GLU 206.A OE1 no hydrogen 3.248 N/A LEU 204.A N LEU 201.A O no hydrogen 2.961 N/A GLU 206.A N ARG 203.A O no hydrogen 3.177 N/A PHE 207.A N LEU 204.A O no hydrogen 3.166 N/A HIS 208.A N ALA 205.A O no hydrogen 3.412 N/A HIS 208.A ND1 ALA 205.A O no hydrogen 2.799 N/A HIS 208.A NE2 GLY 250.A O no hydrogen 3.304 N/A HIS 209.A NE2 ASN 162.A OD1 no hydrogen 2.808 N/A ASN 211.A N HIS 208.A O no hydrogen 3.262 N/A LEU 214.A N HIS 252.A ND1 no hydrogen 3.049 N/A LEU 215.A N LEU 184.A O no hydrogen 2.851 N/A VAL 216.A N ILE 253.A O no hydrogen 2.915 N/A SER 219.A OG HIS 257.A ND1 no hydrogen 2.755 N/A ARG 220.A N SER 239.A OG no hydrogen 2.816 N/A ARG 220.A NH2 ASP 258.A OD1 no hydrogen 2.975 N/A LYS 221.A N MET 218.A O no hydrogen 3.481 N/A LYS 221.A NZ PHE 188.A O no hydrogen 2.991 N/A LYS 221.A NZ GLY 217.A O no hydrogen 2.714 N/A ILE 224.A N LYS 221.A O no hydrogen 2.928 N/A GLY 225.A N LYS 221.A O no hydrogen 3.043 N/A GLN 226.A N SER 222.A O no hydrogen 2.890 N/A GLN 226.A NE2 SER 222.A O no hydrogen 3.299 N/A LEU 228.A N ILE 224.A O no hydrogen 2.845 N/A ASN 229.A N GLY 225.A O no hydrogen 2.529 N/A ASN 229.A ND2 GLN 226.A O no hydrogen 2.924 N/A VAL 230.A N GLY 225.A O no hydrogen 3.312 N/A GLY 231.A N GLU 234.A OE2 no hydrogen 3.243 N/A GLU 234.A N GLY 231.A O no hydrogen 2.807 N/A ARG 235.A NH1 ARG 220.A O no hydrogen 2.911 N/A ARG 235.A NH2 VAL 230.A O no hydrogen 3.032 N/A SER 239.A N ARG 235.A O no hydrogen 2.847 N/A SER 239.A OG ARG 235.A O no hydrogen 2.915 N/A LEU 240.A N LEU 236.A O no hydrogen 2.826 N/A ALA 241.A N SER 237.A O no hydrogen 3.215 N/A CYS 242.A N GLY 238.A O no hydrogen 3.211 N/A CYS 242.A SG GLY 238.A O no hydrogen 3.687 N/A ALA 243.A N SER 239.A O no hydrogen 3.261 N/A VAL 244.A N LEU 240.A O no hydrogen 2.950 N/A ILE 245.A N ALA 241.A O no hydrogen 3.203 N/A ALA 246.A N CYS 242.A O no hydrogen 3.121 N/A ALA 247.A N ALA 243.A O no hydrogen 2.921 N/A MET 248.A N VAL 244.A O no hydrogen 2.837 N/A GLN 249.A N ILE 245.A O no hydrogen 3.257 N/A GLN 249.A N ALA 246.A O no hydrogen 3.291 N/A GLN 249.A NE2 ALA 202.A O no hydrogen 3.341 N/A GLY 250.A N ALA 247.A O no hydrogen 2.921 N/A ALA 251.A N ALA 246.A O no hydrogen 3.369 N/A HIS 252.A N LEU 214.A O no hydrogen 2.921 N/A ILE 253.A N LEU 214.A O no hydrogen 3.221 N/A ILE 254.A N HIS 16.A O no hydrogen 3.030 N/A ARG 255.A N VAL 216.A O no hydrogen 2.902 N/A ARG 255.A NE ASP 56.A OD2 no hydrogen 2.921 N/A VAL 256.A N MET 18.A O no hydrogen 2.889 N/A HIS 257.A N SER 219.A OG no hydrogen 2.914 N/A HIS 257.A ND1 SER 219.A OG no hydrogen 2.755 N/A GLU 261.A N GLU 261.A OE1 no hydrogen 2.765 N/A THR 262.A N ASP 258.A O no hydrogen 3.048 N/A THR 262.A OG1 ASP 258.A O no hydrogen 2.947 N/A VAL 263.A N VAL 259.A O no hydrogen 2.883 N/A GLU 264.A N LYS 260.A O no hydrogen 3.164 N/A ALA 265.A N GLU 261.A O no hydrogen 3.027 N/A MET 266.A N THR 262.A O no hydrogen 2.838 N/A ARG 267.A N VAL 263.A O no hydrogen 3.118 N/A VAL 268.A N ALA 265.A O no hydrogen 3.063 N/A VAL 269.A N ALA 265.A O no hydrogen 3.189 N/A GLU 270.A N MET 266.A O no hydrogen 2.905 N/A ALA 271.A N ARG 267.A O no hydrogen 3.031 N/A THR 272.A N VAL 268.A O no hydrogen 3.027 N/A THR 272.A OG1 VAL 268.A O no hydrogen 2.995 N/A LEU 273.A N VAL 269.A O no hydrogen 2.765 N/A SER 274.A N GLU 270.A O no hydrogen 2.899 N/A SER 274.A OG GLU 270.A O no hydrogen 2.879 N/A ALA 275.A N THR 272.A O no hydrogen 3.013 N/A LYS 276.A N LEU 273.A O no hydrogen 3.032 N/A LYS 276.A NZ ASN 278.A OD1 no hydrogen 2.819 N/A ASN 278.A ND2 ARG 280.A O no hydrogen 3.565 N/A LYS 279.A N LYS 276.A O no hydrogen 2.663 N/A LYS 279.A NZ SER 274.A O no hydrogen 3.404 N/A LYS 279.A NZ LYS 276.A O no hydrogen 2.820 N/A LYS 279.A NZ GLU 277.A O no hydrogen 3.433 N/A ARG 280.A N ASN 278.A OD1 no hydrogen 3.489 N/A ARG 280.A NH1 GLU 282.A OE2 no hydrogen 3.347 N/A TYR 281.A N MET 248.A O no hydrogen 2.861 N/A