Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fsq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 6.A N PHE 3.A O no hydrogen 2.958 N/A ASP 8.A N VAL 21.A O no hydrogen 2.736 N/A VAL 10.A N LEU 19.A O no hydrogen 2.750 N/A GLN 11.A NE2 THR 12.A O no hydrogen 3.328 N/A THR 12.A OG1 GLN 18.A OE1 no hydrogen 2.598 N/A LEU 13.A N VAL 17.A O no hydrogen 2.810 N/A GLY 14.A N VAL 17.A O no hydrogen 3.495 N/A GLU 16.A N ILE 33.A O no hydrogen 3.330 N/A VAL 17.A N GLY 14.A O no hydrogen 2.970 N/A GLN 18.A N VAL 31.A O no hydrogen 2.800 N/A LEU 19.A N GLN 11.A O no hydrogen 2.763 N/A ALA 20.A N VAL 29.A O no hydrogen 2.735 N/A VAL 21.A N ASP 8.A O no hydrogen 2.786 N/A ASN 22.A N GLU 27.A O no hydrogen 2.964 N/A ASN 22.A ND2 VAL 4.A O no hydrogen 2.637 N/A ARG 23.A N ASP 6.A O no hydrogen 2.858 N/A ARG 23.A NH1 ASP 6.A OD2 no hydrogen 2.809 N/A VAL 24.A N ASN 22.A OD1 no hydrogen 3.042 N/A THR 25.A N ASN 22.A OD1 no hydrogen 2.829 N/A GLU 26.A N ASN 22.A O no hydrogen 2.950 N/A GLU 27.A N THR 25.A OG1 no hydrogen 3.240 N/A VAL 29.A N ALA 20.A O no hydrogen 2.824 N/A ALA 30.A N LEU 67.A O no hydrogen 2.728 N/A VAL 31.A N GLN 18.A O no hydrogen 2.834 N/A LYS 32.A N LEU 65.A O no hydrogen 2.796 N/A LYS 32.A NZ GLU 38.A OE2 no hydrogen 2.904 N/A ILE 33.A N GLU 16.A O no hydrogen 2.791 N/A VAL 34.A N GLN 63.A O no hydrogen 2.929 N/A LYS 37.A NZ THR 136.A OG1 no hydrogen 3.017 N/A ILE 39.A N ILE 35.A O no hydrogen 3.026 N/A CYS 40.A N LYS 36.A O no hydrogen 3.360 N/A CYS 40.A SG.A LYS 36.A O no hydrogen 3.464 N/A ILE 41.A N LYS 37.A O no hydrogen 2.782 N/A ASN 42.A N GLU 38.A O no hydrogen 3.220 N/A ASN 42.A ND2 GLU 38.A O no hydrogen 2.859 N/A LYS 43.A N ILE 39.A O no hydrogen 2.944 N/A MET 44.A N ILE 41.A O no hydrogen 2.919 N/A LEU 45.A N ASN 42.A O no hydrogen 3.441 N/A ASN 46.A N TYR 103.A OH no hydrogen 2.893 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.855 N/A ASN 49.A N HIS 47.A ND1 no hydrogen 3.000 N/A ASN 49.A ND2 LEU 127.A O no hydrogen 2.711 N/A VAL 50.A N HIS 47.A O no hydrogen 3.206 N/A VAL 51.A N ILE 129.A O no hydrogen 3.003 N/A LYS 52.A N GLU 68.A OE1 no hydrogen 3.020 N/A TYR 54.A N PHE 66.A O no hydrogen 2.809 N/A ARG 57.A N TYR 64.A O no hydrogen 2.986 N/A GLU 59.A N ILE 62.A O no hydrogen 2.978 N/A GLN 63.A N VAL 34.A O no hydrogen 2.853 N/A TYR 64.A N ARG 57.A O no hydrogen 2.769 N/A LEU 65.A N LYS 32.A O no hydrogen 2.802 N/A PHE 66.A N GLY 55.A O no hydrogen 2.914 N/A LEU 67.A N ALA 30.A O no hydrogen 2.738 N/A GLU 68.A N LYS 52.A O no hydrogen 2.890 N/A CYS 70.A SG GLU 68.A O no hydrogen 3.981 N/A GLY 72.A N LEU 121.A O no hydrogen 2.794 N/A GLY 73.A N CYS 70.A O no hydrogen 3.314 N/A LEU 75.A N LEU 119.A O no hydrogen 2.782 N/A PHE 76.A N PRO 116.A O no hydrogen 3.284 N/A ASP 77.A N GLU 74.A O no hydrogen 3.001 N/A ARG 78.A N LEU 75.A O no hydrogen 2.859 N/A ARG 78.A NH1 ASP 125.A OD1 no hydrogen 3.343 N/A ARG 78.A NH1 ASP 125.A OD2 no hydrogen 2.906 N/A ARG 78.A NH2 GLY 72.A O no hydrogen 3.051 N/A ARG 78.A NH2 ASP 125.A OD1 no hydrogen 2.926 N/A ILE 79.A N PHE 76.A O no hydrogen 3.424 N/A GLU 80.A N GLY 84.A O no hydrogen 2.867 N/A ASP 82.A N GLY 187.A O no hydrogen 2.694 N/A ILE 83.A N GLU 80.A O no hydrogen 2.938 N/A GLY 84.A N GLU 80.A O no hydrogen 2.891 N/A ALA 90.A N PRO 86.A O no hydrogen 3.217 N/A GLN 91.A N GLU 87.A O no hydrogen 2.845 N/A GLN 91.A NE2 TRP 247.A O no hydrogen 2.618 N/A GLN 91.A NE2 LYS 250.A O no hydrogen 2.772 N/A ARG 92.A N PRO 88.A O no hydrogen 3.059 N/A ARG 92.A NH1 ASP 125.A O no hydrogen 2.899 N/A ARG 92.A NH2 ARG 124.A O no hydrogen 3.163 N/A ARG 92.A NH2 ASP 125.A O no hydrogen 3.287 N/A PHE 93.A N ASP 89.A O no hydrogen 2.871 N/A PHE 94.A N ALA 90.A O no hydrogen 2.790 N/A HIS 95.A N GLN 91.A O no hydrogen 2.870 N/A HIS 95.A NE2 TYR 248.A O no hydrogen 2.756 N/A GLN 96.A N ARG 92.A O no hydrogen 3.221 N/A GLN 96.A NE2 ASN 126.A OD1 no hydrogen 3.423 N/A LEU 97.A N PHE 93.A O no hydrogen 2.917 N/A MET 98.A N PHE 94.A O no hydrogen 2.975 N/A ALA 99.A N HIS 95.A O no hydrogen 3.084 N/A GLY 100.A N GLN 96.A O no hydrogen 3.065 N/A VAL 101.A N LEU 97.A O no hydrogen 3.026 N/A VAL 102.A N MET 98.A O no hydrogen 2.763 N/A TYR 103.A N ALA 99.A O no hydrogen 3.060 N/A TYR 103.A OH MET 44.A O no hydrogen 3.365 N/A LEU 104.A N GLY 100.A O no hydrogen 3.074 N/A HIS 105.A N VAL 101.A O no hydrogen 2.824 N/A HIS 105.A NE2 ASP 173.A OD2 no hydrogen 2.692 N/A GLY 106.A N VAL 102.A O no hydrogen 2.917 N/A ILE 107.A N TYR 103.A O no hydrogen 3.229 N/A ILE 107.A N LEU 104.A O no hydrogen 3.228 N/A GLY 108.A N HIS 105.A O no hydrogen 3.014 N/A ILE 109.A N LEU 104.A O no hydrogen 2.798 N/A THR 110.A N THR 136.A O no hydrogen 2.947 N/A THR 110.A OG1 ASP 173.A OD1 no hydrogen 3.384 N/A THR 110.A OG1 ASP 173.A OD2 no hydrogen 2.902 N/A HIS 111.A N ASP 173.A OD2 no hydrogen 3.406 N/A HIS 111.A NE2 SER 130.A O no hydrogen 2.597 N/A ARG 112.A N ASP 173.A OD1 no hydrogen 3.260 N/A ARG 112.A NE LEU 134.A O no hydrogen 2.653 N/A ARG 112.A NH2 LEU 134.A O no hydrogen 3.130 N/A ASP 113.A N HIS 111.A ND1 no hydrogen 3.157 N/A LYS 115.A NZ ASP 113.A OD2 no hydrogen 3.563 N/A LYS 115.A NZ THR 153.A OG1 no hydrogen 2.795 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.699 N/A ASN 118.A N LYS 115.A O no hydrogen 3.077 N/A ASN 118.A ND2 ASP 113.A O no hydrogen 2.754 N/A LEU 119.A N PRO 116.A O no hydrogen 3.235 N/A LEU 120.A N LYS 128.A O no hydrogen 2.900 N/A LEU 121.A N GLY 73.A O no hydrogen 2.769 N/A ASP 122.A N ASN 126.A O no hydrogen 2.962 N/A ARG 124.A N ASP 122.A OD1 no hydrogen 3.019 N/A ASP 125.A N ASP 122.A O no hydrogen 2.940 N/A ASN 126.A N ASP 122.A OD1 no hydrogen 2.877 N/A ASN 126.A ND2 ASP 122.A OD1 no hydrogen 3.409 N/A ASN 126.A ND2 ASP 122.A OD2 no hydrogen 3.405 N/A LEU 127.A N GLN 96.A OE1 no hydrogen 2.774 N/A LYS 128.A N LEU 120.A O no hydrogen 2.758 N/A LYS 128.A NZ GLU 48.A O no hydrogen 2.899 N/A LYS 128.A NZ GLU 68.A OE2 no hydrogen 3.416 N/A ILE 129.A N ASN 49.A O no hydrogen 2.807 N/A SER 130.A N ASN 118.A O no hydrogen 2.875 N/A SER 130.A OG ASN 118.A O no hydrogen 3.325 N/A GLY 133.A N ASP 131.A OD1 no hydrogen 3.334 N/A ALA 135.A N PHE 132.A O no hydrogen 3.371 N/A THR 136.A N THR 110.A O no hydrogen 3.005 N/A PHE 138.A N GLY 108.A O no hydrogen 2.954 N/A ARG 139.A NH1 HIS 105.A O no hydrogen 2.909 N/A ARG 139.A NH2 HIS 105.A O no hydrogen 3.392 N/A TYR 140.A N ARG 143.A O no hydrogen 3.123 N/A ARG 143.A N TYR 140.A O no hydrogen 3.018 N/A ARG 145.A N PHE 138.A O no hydrogen 2.852 N/A ARG 145.A NE VAL 137.A O no hydrogen 3.102 N/A ARG 145.A NH2 VAL 137.A O no hydrogen 2.719 N/A LEU 147.A N PHE 167.A O no hydrogen 2.794 N/A THR 153.A OG1 ASP 113.A OD1 no hydrogen 2.642 N/A TYR 156.A N THR 153.A O no hydrogen 2.839 N/A VAL 157.A N LEU 154.A O no hydrogen 3.372 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.804 N/A LEU 161.A N ALA 158.A O no hydrogen 3.286 N/A LEU 162.A N PRO 159.A O no hydrogen 3.102 N/A LYS 163.A N PRO 159.A O no hydrogen 3.117 N/A LYS 163.A N GLU 160.A O no hydrogen 3.235 N/A ARG 164.A N GLU 160.A O no hydrogen 2.763 N/A PHE 167.A N LEU 147.A O no hydrogen 2.952 N/A HIS 168.A ND1 GLU 144.A OE1 no hydrogen 3.188 N/A HIS 168.A ND1 GLU 144.A OE2 no hydrogen 2.735 N/A VAL 172.A N ALA 169.A O no hydrogen 3.317 N/A VAL 174.A N GLU 170.A O no hydrogen 3.188 N/A TRP 175.A N PRO 171.A O no hydrogen 3.061 N/A SER 176.A N VAL 172.A O no hydrogen 3.284 N/A SER 176.A OG ASP 173.A O no hydrogen 2.895 N/A CYS 177.A N ASP 173.A O no hydrogen 3.134 N/A CYS 177.A SG ASP 173.A O no hydrogen 3.214 N/A GLY 178.A N VAL 174.A O no hydrogen 3.022 N/A ILE 179.A N TRP 175.A O no hydrogen 2.958 N/A VAL 180.A N SER 176.A O no hydrogen 2.848 N/A LEU 181.A N CYS 177.A O no hydrogen 2.850 N/A THR 182.A N GLY 178.A O no hydrogen 2.965 N/A THR 182.A OG1 GLY 178.A O no hydrogen 2.965 N/A ALA 183.A N ILE 179.A O no hydrogen 2.971 N/A MET 184.A N VAL 180.A O no hydrogen 2.925 N/A LEU 185.A N LEU 181.A O no hydrogen 3.165 N/A LEU 185.A N THR 182.A O no hydrogen 3.253 N/A ALA 186.A N THR 182.A O no hydrogen 2.864 N/A GLY 187.A N ALA 183.A O no hydrogen 2.753 N/A GLN 193.A NE2 SER 195.A OG no hydrogen 3.056 N/A SER 195.A N GLN 193.A O no hydrogen 2.977 N/A SER 195.A OG SER 197.A OG no hydrogen 3.061 N/A SER 197.A OG SER 195.A OG no hydrogen 3.061 N/A CYS 198.A N SER 195.A O no hydrogen 2.921 N/A CYS 198.A SG GLU 200.A OE1 no hydrogen 3.488 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 2.983 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.758 N/A SER 202.A N CYS 198.A O no hydrogen 3.074 N/A SER 202.A OG CYS 198.A O no hydrogen 3.223 N/A ASP 203.A N GLN 199.A O no hydrogen 2.980 N/A TRP 204.A N GLU 200.A O no hydrogen 3.249 N/A TRP 204.A NE1 LEU 229.A O no hydrogen 2.958 N/A LYS 205.A N TYR 201.A O no hydrogen 3.130 N/A LYS 205.A NZ ASP 196.A OD1 no hydrogen 2.942 N/A LYS 205.A NZ GLU 231.A OE1 no hydrogen 3.031 N/A LYS 205.A NZ GLU 231.A OE2 no hydrogen 3.530 N/A GLU 206.A N SER 202.A O no hydrogen 2.955 N/A LYS 207.A N TRP 204.A O no hydrogen 2.904 N/A LYS 208.A N ASP 203.A O no hydrogen 2.995 N/A LYS 208.A NZ ASP 203.A OD1 no hydrogen 3.421 N/A LYS 208.A NZ GLU 206.A OE1 no hydrogen 3.294 N/A THR 209.A N LYS 207.A O no hydrogen 2.906 N/A LEU 211.A N LYS 208.A O no hydrogen 3.343 N/A LYS 215.A N LEU 211.A O no hydrogen 3.045 N/A LYS 216.A N PRO 213.A O no hydrogen 3.227 N/A LYS 216.A NZ ASP 82.A O no hydrogen 2.797 N/A LYS 216.A NZ ASP 82.A OD1 no hydrogen 3.319 N/A LYS 216.A NZ ALA 186.A O no hydrogen 2.804 N/A LYS 216.A NZ GLU 188.A OE2 no hydrogen 2.759 N/A ILE 217.A N TRP 214.A O no hydrogen 3.129 N/A ALA 220.A N ASP 218.A OD2 no hydrogen 3.287 N/A LEU 222.A N ASP 218.A O no hydrogen 2.988 N/A ALA 223.A N SER 219.A O no hydrogen 2.868 N/A ALA 223.A N ALA 220.A O no hydrogen 3.169 N/A LEU 224.A N ALA 220.A O no hydrogen 3.443 N/A LEU 225.A N PRO 221.A O no hydrogen 3.059 N/A HIS 226.A N LEU 222.A O no hydrogen 2.869 N/A LYS 227.A N LEU 224.A O no hydrogen 2.967 N/A LYS 227.A NZ ASP 245.A OD1 no hydrogen 2.790 N/A ILE 228.A N LEU 224.A O no hydrogen 3.094 N/A ILE 228.A N LEU 225.A O no hydrogen 3.227 N/A LEU 229.A N LEU 225.A O no hydrogen 2.894 N/A SER 234.A N ASN 232.A OD1 no hydrogen 3.030 N/A ALA 235.A N ASN 232.A O no hydrogen 3.084 N/A ARG 236.A N ASN 232.A O no hydrogen 3.086 N/A ARG 236.A NE VAL 230.A O no hydrogen 2.981 N/A ARG 236.A NH1 GLU 160.A OE2 no hydrogen 2.927 N/A ARG 236.A NH1 PRO 171.A O no hydrogen 2.726 N/A ARG 236.A NH2 GLU 160.A OE1 no hydrogen 2.759 N/A ARG 236.A NH2 GLU 160.A OE2 no hydrogen 3.527 N/A ARG 236.A NH2 VAL 230.A O no hydrogen 3.062 N/A ARG 236.A NH2 GLU 231.A O no hydrogen 3.492 N/A ILE 237.A N LYS 227.A O no hydrogen 3.084 N/A ASP 241.A N THR 238.A O no hydrogen 3.152 N/A ILE 242.A N THR 238.A O no hydrogen 2.961 N/A LYS 243.A N ILE 239.A O no hydrogen 3.052 N/A LYS 244.A N ASP 241.A O no hydrogen 3.227 N/A LYS 244.A NZ ASP 241.A OD1 no hydrogen 3.017 N/A ASP 245.A N ILE 242.A O no hydrogen 3.132 N/A TRP 247.A NE1 GLU 87.A OE2 no hydrogen 2.893 N/A TYR 248.A N ASP 245.A OD2 no hydrogen 2.988 N/A ASN 249.A N ASP 245.A O no hydrogen 3.315 N/A ASN 249.A ND2 LYS 243.A O no hydrogen 2.763 N/A ASN 249.A ND2 ASP 245.A O no hydrogen 3.055 N/A LYS 250.A N TRP 247.A O no hydrogen 2.989 N/A LYS 253.A NZ LYS 254.A O no hydrogen 3.522 N/A