Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2p54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N LEU 2.A O no hydrogen 3.248 N/A ARG 8.A N SER 4.A O no hydrogen 3.255 N/A ARG 8.A NH1 SER 4.A OG no hydrogen 3.143 N/A ARG 8.A NH2 ASP 1.A O no hydrogen 3.013 N/A ILE 9.A N LEU 5.A O no hydrogen 3.093 N/A TYR 10.A N ALA 6.A O no hydrogen 2.959 N/A GLU 11.A N LYS 7.A O no hydrogen 2.909 N/A ALA 12.A N ARG 8.A O no hydrogen 2.939 N/A TYR 13.A N ILE 9.A O no hydrogen 2.975 N/A TYR 13.A OH ASP 171.A OD1 no hydrogen 2.653 N/A LEU 14.A N TYR 10.A O no hydrogen 2.952 N/A LYS 15.A N GLU 11.A O no hydrogen 2.927 N/A ASN 16.A N ALA 12.A O no hydrogen 3.017 N/A ASN 16.A ND2 ALA 12.A O no hydrogen 2.881 N/A PHE 17.A N TYR 13.A O no hydrogen 3.203 N/A ASN 18.A N GLU 85.A OE2 no hydrogen 3.095 N/A ASN 18.A ND2 GLU 85.A OE2 no hydrogen 2.945 N/A LYS 21.A N ASP 171.A OD1 no hydrogen 2.913 N/A LYS 21.A NZ LEU 169.A O no hydrogen 2.793 N/A VAL 22.A N ASP 171.A OD2 no hydrogen 3.070 N/A LYS 23.A N ASN 20.A OD1 no hydrogen 2.938 N/A LYS 23.A NZ ASN 18.A O no hydrogen 2.940 N/A ALA 24.A N ASN 20.A O no hydrogen 3.021 N/A ARG 25.A N LYS 21.A O no hydrogen 2.886 N/A VAL 26.A N VAL 22.A O no hydrogen 3.244 N/A ILE 27.A N LYS 23.A O no hydrogen 3.297 N/A LEU 28.A N ALA 24.A O no hydrogen 2.953 N/A SER 29.A N VAL 26.A O no hydrogen 3.201 N/A SER 29.A OG VAL 26.A O no hydrogen 2.630 N/A LYS 31.A N SER 29.A OG no hydrogen 3.284 N/A ASN 35.A N SER 33.A OG no hydrogen 3.251 N/A PHE 38.A N ASN 135.A O no hydrogen 2.913 N/A ILE 40.A N PHE 137.A O no hydrogen 2.777 N/A HIS 41.A N THR 45.A OG1 no hydrogen 2.851 N/A ASP 42.A N THR 45.A OG1 no hydrogen 2.982 N/A THR 45.A N ASP 42.A OD1 no hydrogen 2.788 N/A THR 45.A OG1 ASP 42.A O no hydrogen 3.056 N/A THR 45.A OG1 ASP 42.A OD1 no hydrogen 2.706 N/A LEU 46.A N ASP 42.A O no hydrogen 2.968 N/A CYS 47.A N MET 43.A O no hydrogen 3.121 N/A CYS 47.A SG MET 43.A O no hydrogen 3.434 N/A MET 48.A N GLU 44.A O no hydrogen 3.160 N/A ALA 49.A N THR 45.A O no hydrogen 2.927 N/A GLU 50.A N LEU 46.A O no hydrogen 2.921 N/A LYS 51.A N CYS 47.A O no hydrogen 2.986 N/A THR 52.A N MET 48.A O no hydrogen 3.306 N/A THR 52.A N ALA 49.A O no hydrogen 3.256 N/A THR 52.A OG1 MET 48.A O no hydrogen 3.487 N/A THR 52.A OG1 ALA 49.A O no hydrogen 3.152 N/A LEU 53.A N ALA 49.A O no hydrogen 2.740 N/A VAL 54.A N GLU 50.A O no hydrogen 2.910 N/A LEU 57.A N VAL 54.A O no hydrogen 2.896 N/A VAL 58.A N ALA 55.A O no hydrogen 3.062 N/A ILE 62.A N ALA 59.A O no hydrogen 3.030 N/A ASN 64.A N GLY 61.A O no hydrogen 2.956 N/A LYS 65.A N ILE 62.A O no hydrogen 3.064 N/A LYS 65.A NZ ASP 252.A OD2 no hydrogen 2.830 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.689 N/A VAL 69.A N GLU 66.A O no hydrogen 2.969 N/A ARG 70.A N GLU 66.A O no hydrogen 3.188 N/A ARG 70.A NE GLU 50.A OE2 no hydrogen 2.896 N/A ARG 70.A NH1 LYS 65.A O no hydrogen 2.969 N/A ARG 70.A NH2 GLU 50.A OE1 no hydrogen 2.854 N/A ARG 70.A NH2 GLU 50.A OE2 no hydrogen 3.533 N/A ILE 71.A N ALA 67.A O no hydrogen 2.889 N/A PHE 72.A N GLU 68.A O no hydrogen 2.941 N/A HIS 73.A N VAL 69.A O no hydrogen 2.958 N/A CYS 74.A N ARG 70.A O no hydrogen 3.069 N/A CYS 74.A SG ARG 70.A O no hydrogen 3.482 N/A CYS 75.A N ILE 71.A O no hydrogen 2.884 N/A CYS 75.A SG ILE 71.A O no hydrogen 3.315 N/A GLN 76.A N PHE 72.A O no hydrogen 2.961 N/A CYS 77.A N HIS 73.A O no hydrogen 2.996 N/A CYS 77.A SG HIS 73.A NE2 no hydrogen 3.611 N/A CYS 77.A SG HIS 73.A O no hydrogen 3.527 N/A THR 78.A N CYS 74.A O no hydrogen 3.001 N/A THR 78.A OG1 CYS 74.A O no hydrogen 2.840 N/A SER 79.A N CYS 75.A O no hydrogen 2.883 N/A SER 79.A OG CYS 75.A O no hydrogen 3.325 N/A VAL 80.A N GLN 76.A O no hydrogen 2.871 N/A GLU 81.A N CYS 77.A O no hydrogen 3.152 N/A THR 82.A N THR 78.A O no hydrogen 2.989 N/A THR 82.A OG1 THR 78.A O no hydrogen 3.057 N/A VAL 83.A N SER 79.A O no hydrogen 2.817 N/A THR 84.A N VAL 80.A O no hydrogen 2.980 N/A THR 84.A OG1 VAL 80.A O no hydrogen 2.749 N/A GLU 85.A N GLU 81.A O no hydrogen 2.941 N/A LEU 86.A N THR 82.A O no hydrogen 2.855 N/A THR 87.A N VAL 83.A O no hydrogen 2.987 N/A THR 87.A OG1 VAL 83.A O no hydrogen 2.936 N/A GLU 88.A N THR 84.A O no hydrogen 3.335 N/A PHE 89.A N GLU 85.A O no hydrogen 2.927 N/A ALA 90.A N LEU 86.A O no hydrogen 2.819 N/A LYS 91.A N THR 87.A O no hydrogen 3.134 N/A LYS 91.A NZ GLU 88.A OE2 no hydrogen 2.934 N/A ALA 92.A N PHE 89.A O no hydrogen 2.962 N/A ILE 93.A N ALA 90.A O no hydrogen 2.974 N/A PHE 96.A N ILE 93.A O no hydrogen 2.995 N/A ASN 98.A N GLY 95.A O no hydrogen 3.067 N/A LEU 99.A N PHE 96.A O no hydrogen 3.108 N/A ASN 102.A N ASP 100.A OD2 no hydrogen 3.023 N/A ASN 102.A ND2 ASP 100.A OD2 no hydrogen 2.899 N/A GLN 104.A N ASP 100.A O no hydrogen 3.026 N/A GLN 104.A NE2 LEU 99.A O no hydrogen 2.901 N/A VAL 105.A N LEU 101.A O no hydrogen 2.936 N/A THR 106.A N ASN 102.A O no hydrogen 2.881 N/A THR 106.A OG1 ASN 102.A O no hydrogen 3.002 N/A LEU 107.A N ASP 103.A O no hydrogen 2.914 N/A LEU 108.A N GLN 104.A O no hydrogen 3.185 N/A LYS 109.A N VAL 105.A O no hydrogen 2.798 N/A LYS 109.A NZ ILE 262.A O no hydrogen 2.837 N/A LYS 109.A NZ ARG 264.A O no hydrogen 2.779 N/A TYR 110.A N THR 106.A O no hydrogen 3.144 N/A TYR 110.A OH MET 266.A O no hydrogen 3.071 N/A GLY 111.A N LEU 107.A O no hydrogen 2.856 N/A VAL 112.A N LEU 108.A O no hydrogen 2.871 N/A ALA 115.A N GLY 111.A O no hydrogen 3.057 N/A ILE 116.A N VAL 112.A O no hydrogen 2.771 N/A PHE 117.A N TYR 113.A O no hydrogen 2.962 N/A ALA 118.A N GLU 114.A O no hydrogen 3.104 N/A MET 119.A N ALA 115.A O no hydrogen 2.845 N/A LEU 120.A N ILE 116.A O no hydrogen 2.888 N/A SER 121.A N ALA 118.A O no hydrogen 3.341 N/A SER 121.A OG ALA 118.A O no hydrogen 3.060 N/A SER 122.A N MET 119.A O no hydrogen 3.053 N/A VAL 123.A N LEU 120.A O no hydrogen 2.912 N/A MET 124.A N SER 121.A O no hydrogen 3.190 N/A ASN 125.A N GLY 128.A O no hydrogen 3.059 N/A LYS 126.A NZ ASP 127.A OD1 no hydrogen 3.133 N/A LYS 126.A NZ ASP 127.A OD2 no hydrogen 3.151 N/A ASP 127.A N ASN 125.A OD1 no hydrogen 2.728 N/A GLY 128.A N ASN 125.A O no hydrogen 3.362 N/A MET 129.A N ILE 138.A O no hydrogen 3.044 N/A LEU 130.A N VAL 123.A O no hydrogen 2.940 N/A VAL 131.A N GLY 136.A O no hydrogen 2.806 N/A ASN 135.A N ALA 132.A O no hydrogen 3.055 N/A GLY 136.A N VAL 131.A O no hydrogen 2.987 N/A PHE 137.A N PHE 38.A O no hydrogen 2.841 N/A ILE 138.A N MET 129.A O no hydrogen 2.982 N/A THR 139.A N ILE 40.A O no hydrogen 3.036 N/A ARG 140.A N ASP 127.A O no hydrogen 2.827 N/A ARG 140.A NE GLU 155.A OE1 no hydrogen 2.966 N/A ARG 140.A NE GLU 155.A OE2 no hydrogen 3.442 N/A ARG 140.A NH1 LYS 126.A O no hydrogen 3.413 N/A ARG 140.A NH2 GLU 155.A OE2 no hydrogen 3.141 N/A ARG 140.A NH2 ASP 159.A OD1 no hydrogen 2.791 N/A PHE 142.A N THR 139.A OG1 no hydrogen 3.119 N/A LEU 143.A N THR 139.A O no hydrogen 3.189 N/A LYS 144.A N ARG 140.A O no hydrogen 3.051 N/A LYS 144.A NZ GLU 141.A OE2 no hydrogen 3.326 N/A SER 145.A N GLU 141.A O no hydrogen 3.035 N/A SER 145.A N PHE 142.A O no hydrogen 3.026 N/A SER 145.A OG PHE 142.A O no hydrogen 2.573 N/A LEU 146.A N LEU 143.A O no hydrogen 3.396 N/A ARG 147.A N GLU 68.A OE2 no hydrogen 2.990 N/A ARG 147.A NE GLU 66.A OE2 no hydrogen 2.837 N/A ARG 147.A NH1 LYS 148.A O no hydrogen 2.959 N/A ARG 147.A NH1 GLU 250.A OE2 no hydrogen 3.096 N/A ARG 147.A NH2 GLU 66.A OE1 no hydrogen 2.860 N/A ARG 147.A NH2 GLU 250.A OE1 no hydrogen 2.897 N/A ARG 147.A NH2 GLU 250.A OE2 no hydrogen 3.560 N/A LYS 148.A NZ ASP 152.A OD2 no hydrogen 2.863 N/A CYS 151.A N ARG 147.A O no hydrogen 3.249 N/A CYS 151.A SG ASP 152.A OD1 no hydrogen 3.722 N/A ASP 152.A N PRO 149.A O no hydrogen 2.965 N/A ILE 153.A N PHE 150.A O no hydrogen 3.406 N/A LYS 157.A N MET 154.A O no hydrogen 2.942 N/A LYS 157.A NZ ILE 153.A O no hydrogen 2.840 N/A LYS 157.A NZ HIS 239.A ND1 no hydrogen 2.971 N/A PHE 158.A N MET 154.A O no hydrogen 2.982 N/A ASP 159.A N GLU 155.A O no hydrogen 2.902 N/A PHE 160.A N PRO 156.A O no hydrogen 2.957 N/A ALA 161.A N LYS 157.A O no hydrogen 2.876 N/A MET 162.A N PHE 158.A O no hydrogen 2.968 N/A LYS 163.A N ASP 159.A O no hydrogen 3.459 N/A PHE 164.A N PHE 160.A O no hydrogen 2.905 N/A ASN 165.A N ALA 161.A O no hydrogen 2.812 N/A ASN 165.A ND2 SER 121.A O no hydrogen 3.363 N/A ALA 166.A N MET 162.A O no hydrogen 3.236 N/A LEU 167.A N PHE 164.A O no hydrogen 3.031 N/A GLU 168.A N ASN 165.A O no hydrogen 2.944 N/A ASP 170.A N ASP 173.A OD2 no hydrogen 2.899 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.502 N/A ASP 173.A N ASP 170.A OD1 no hydrogen 2.985 N/A ILE 174.A N ASP 170.A O no hydrogen 2.957 N/A SER 175.A N ASP 171.A O no hydrogen 2.866 N/A SER 175.A OG ASP 171.A O no hydrogen 3.494 N/A SER 175.A OG SER 172.A O no hydrogen 2.885 N/A PHE 177.A N ASP 173.A O no hydrogen 3.044 N/A VAL 178.A N ILE 174.A O no hydrogen 2.845 N/A ALA 179.A N SER 175.A O no hydrogen 3.112 N/A ALA 180.A N LEU 176.A O no hydrogen 2.996 N/A ILE 181.A N PHE 177.A O no hydrogen 3.010 N/A ILE 182.A N VAL 178.A O no hydrogen 3.056 N/A CYS 183.A N ALA 179.A O no hydrogen 2.946 N/A CYS 183.A SG ALA 179.A O no hydrogen 3.541 N/A CYS 184.A SG ASP 186.A OD1 no hydrogen 2.759 N/A ARG 187.A NH1 GLU 114.A OE2 no hydrogen 2.913 N/A ARG 187.A NH2 GLU 114.A OE1 no hydrogen 2.886 N/A ARG 187.A NH2 ILE 181.A O no hydrogen 3.017 N/A LEU 191.A N ASP 103.A OD1 no hydrogen 2.834 N/A ASN 192.A N ASP 103.A OD2 no hydrogen 2.988 N/A ILE 196.A N ASN 192.A O no hydrogen 3.126 N/A GLU 197.A N VAL 193.A O no hydrogen 2.792 N/A LYS 198.A N GLY 194.A O no hydrogen 3.086 N/A MET 199.A N HIS 195.A O no hydrogen 3.303 N/A GLN 200.A N ILE 196.A O no hydrogen 2.996 N/A GLU 201.A N GLU 197.A O no hydrogen 2.918 N/A GLY 202.A N LYS 198.A O no hydrogen 3.204 N/A ILE 203.A N MET 199.A O no hydrogen 3.033 N/A VAL 204.A N GLN 200.A O no hydrogen 2.796 N/A HIS 205.A N GLU 201.A O no hydrogen 2.938 N/A VAL 206.A N GLY 202.A O no hydrogen 3.077 N/A LEU 207.A N ILE 203.A O no hydrogen 2.898 N/A ARG 208.A N VAL 204.A O no hydrogen 2.875 N/A LEU 209.A N HIS 205.A O no hydrogen 3.190 N/A HIS 210.A N VAL 206.A O no hydrogen 2.875 N/A LEU 211.A N LEU 207.A O no hydrogen 2.940 N/A GLN 212.A N ARG 208.A O no hydrogen 3.290 N/A SER 213.A N LEU 209.A O no hydrogen 3.332 N/A SER 213.A OG HIS 210.A O no hydrogen 3.379 N/A ASN 214.A N HIS 210.A O no hydrogen 2.880 N/A ASN 214.A ND2 ASP 170.A OD2 no hydrogen 2.911 N/A ASN 214.A ND2 ASP 173.A OD1 no hydrogen 2.961 N/A HIS 215.A N LEU 211.A O no hydrogen 2.851 N/A HIS 215.A NE2 ASP 173.A OD2 no hydrogen 2.681 N/A ASP 218.A N HIS 215.A O no hydrogen 3.397 N/A PHE 220.A N ASP 218.A OD1 no hydrogen 3.298 N/A LEU 221.A N ASP 218.A O no hydrogen 3.226 N/A LYS 224.A N PHE 220.A O no hydrogen 2.958 N/A LYS 224.A NZ ASP 218.A OD1 no hydrogen 3.269 N/A LYS 224.A NZ ASP 218.A OD2 no hydrogen 2.920 N/A LEU 225.A N LEU 221.A O no hydrogen 2.991 N/A LEU 226.A N PHE 222.A O no hydrogen 3.004 N/A GLN 227.A N PRO 223.A O no hydrogen 3.054 N/A LYS 228.A N LYS 224.A O no hydrogen 3.061 N/A MET 229.A N LEU 225.A O no hydrogen 3.054 N/A ALA 230.A N LEU 226.A O no hydrogen 3.290 N/A ASP 231.A N GLN 227.A O no hydrogen 2.832 N/A LEU 232.A N LYS 228.A O no hydrogen 2.824 N/A ARG 233.A N MET 229.A O no hydrogen 3.152 N/A ARG 233.A NH1 ASP 186.A OD2 no hydrogen 2.884 N/A ARG 233.A NH2 ASP 186.A OD1 no hydrogen 3.114 N/A GLN 234.A N ALA 230.A O no hydrogen 3.288 N/A LEU 235.A N ASP 231.A O no hydrogen 2.918 N/A VAL 236.A N LEU 232.A O no hydrogen 2.856 N/A THR 237.A N ARG 233.A O no hydrogen 3.024 N/A THR 237.A OG1 ARG 233.A O no hydrogen 3.453 N/A THR 237.A OG1 GLN 234.A O no hydrogen 2.522 N/A THR 237.A OG1 GLN 234.A OE1 no hydrogen 3.252 N/A GLU 238.A N GLN 234.A O no hydrogen 3.054 N/A HIS 239.A N LEU 235.A O no hydrogen 3.009 N/A ALA 240.A N VAL 236.A O no hydrogen 2.854 N/A GLN 241.A N THR 237.A O no hydrogen 3.202 N/A LEU 242.A N GLU 238.A O no hydrogen 3.168 N/A VAL 243.A N HIS 239.A O no hydrogen 2.848 N/A GLN 244.A N ALA 240.A O no hydrogen 2.960 N/A ILE 245.A N GLN 241.A O no hydrogen 3.186 N/A ILE 246.A N LEU 242.A O no hydrogen 2.923 N/A LYS 247.A N VAL 243.A O no hydrogen 2.886 N/A LYS 247.A NZ GLN 244.A OE1 no hydrogen 3.542 N/A LYS 247.A NZ GLN 260.A OE1 no hydrogen 3.158 N/A LYS 248.A N GLN 244.A O no hydrogen 3.117 N/A THR 249.A N ILE 245.A O no hydrogen 3.021 N/A THR 249.A N ILE 246.A O no hydrogen 3.336 N/A THR 249.A OG1 ILE 245.A O no hydrogen 2.759 N/A GLU 250.A N ILE 246.A O no hydrogen 2.867 N/A ALA 253.A N GLU 250.A O no hydrogen 3.431 N/A GLN 260.A N HIS 256.A O no hydrogen 2.892 N/A GLU 261.A N PRO 257.A O no hydrogen 3.004 N/A ILE 262.A N LEU 258.A O no hydrogen 3.161 N/A TYR 263.A N LEU 259.A O no hydrogen 3.018 N/A ARG 264.A N GLN 260.A O no hydrogen 2.947 N/A MET 266.A N TYR 263.A O no hydrogen 3.108 N/A