Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k4i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N VAL 199.A O no hydrogen 2.805 N/A ASP 6.A N ALA 3.A O no hydrogen 2.936 N/A VAL 7.A N ALA 3.A O no hydrogen 3.127 N/A ILE 8.A N ILE 4.A O no hydrogen 2.826 N/A GLN 9.A N PRO 5.A O no hydrogen 3.058 N/A GLN 9.A NE2 GLN 9.A O no hydrogen 3.487 N/A ALA 10.A N ASP 6.A O no hydrogen 3.123 N/A PHE 11.A N VAL 7.A O no hydrogen 2.955 N/A LYS 12.A N ILE 8.A O no hydrogen 2.800 N/A ASN 13.A N GLN 9.A O no hydrogen 2.999 N/A GLY 14.A N PHE 11.A O no hydrogen 2.924 N/A GLU 15.A N ALA 10.A O no hydrogen 3.109 N/A VAL 17.A N ILE 32.A O no hydrogen 2.864 N/A VAL 18.A N LYS 198.A O no hydrogen 2.898 N/A VAL 19.A N ASP 30.A O no hydrogen 2.943 N/A LEU 20.A N CYS 200.A O no hydrogen 2.900 N/A ASP 21.A N GLU 28.A O no hydrogen 3.035 N/A SER 24.A N ASP 22.A OD2 no hydrogen 2.802 N/A SER 24.A OG ASP 22.A OD2 no hydrogen 2.749 N/A ARG 25.A N ASP 22.A O no hydrogen 2.773 N/A ARG 25.A NH1 ASP 21.A OD2 no hydrogen 2.884 N/A ARG 25.A NH1 GLU 26.A OE2 no hydrogen 3.116 N/A GLU 26.A N ASP 21.A OD2 no hydrogen 2.816 N/A ASN 27.A N ASP 22.A O no hydrogen 3.200 N/A GLU 28.A N ASP 21.A OD1 no hydrogen 2.900 N/A ASP 30.A N VAL 19.A O no hydrogen 2.942 N/A LEU 31.A N SER 162.A O no hydrogen 2.926 N/A ILE 32.A N VAL 17.A O no hydrogen 2.898 N/A ILE 33.A N VAL 160.A O no hydrogen 3.001 N/A ALA 35.A N VAL 158.A O no hydrogen 2.985 N/A VAL 38.A N ALA 35.A O no hydrogen 3.375 N/A THR 39.A N GLN 42.A OE1 no hydrogen 3.087 N/A GLN 42.A N THR 39.A OG1 no hydrogen 2.925 N/A GLN 42.A NE2 GLY 14.A O no hydrogen 3.110 N/A MET 43.A N THR 39.A O no hydrogen 2.886 N/A ALA 44.A N THR 40.A O no hydrogen 2.940 N/A PHE 45.A N GLU 41.A O no hydrogen 3.167 N/A MET 46.A N GLN 42.A O no hydrogen 2.881 N/A VAL 47.A N MET 43.A O no hydrogen 2.817 N/A ARG 48.A N ALA 44.A O no hydrogen 2.947 N/A ARG 48.A NH1 ARG 48.A O no hydrogen 2.901 N/A ARG 48.A NH1 ASP 167.A OD2 no hydrogen 3.505 N/A HIS 49.A N PHE 45.A O no hydrogen 3.017 N/A SER 50.A OG MET 46.A O no hydrogen 2.631 N/A SER 50.A OG SER 162.A OG no hydrogen 3.059 N/A SER 51.A N GLU 163.A O no hydrogen 2.895 N/A SER 51.A OG SER 162.A OG no hydrogen 3.136 N/A SER 51.A OG GLU 163.A OE1 no hydrogen 2.868 N/A GLY 52.A N SER 50.A OG no hydrogen 3.003 N/A LEU 53.A N SER 51.A OG no hydrogen 3.097 N/A CYS 55.A N ILE 161.A O no hydrogen 2.956 N/A CYS 55.A SG LEU 53.A O no hydrogen 3.818 N/A ALA 56.A N PHE 127.A O no hydrogen 2.871 N/A LEU 58.A N LEU 129.A O no hydrogen 2.852 N/A ARG 62.A N THR 59.A OG1 no hydrogen 3.154 N/A ARG 62.A NE GLU 61.A OE1 no hydrogen 2.802 N/A ARG 62.A NH2 GLU 61.A OE1 no hydrogen 3.494 N/A ARG 62.A NH2 GLU 61.A OE2 no hydrogen 2.825 N/A THR 63.A N THR 59.A O no hydrogen 3.008 N/A THR 63.A OG1 PRO 60.A O no hydrogen 2.852 N/A THR 64.A N PRO 60.A O no hydrogen 3.082 N/A THR 64.A OG1 PRO 60.A O no hydrogen 3.404 N/A ALA 65.A N GLU 61.A O no hydrogen 2.901 N/A LEU 66.A N ARG 62.A O no hydrogen 2.839 N/A ASP 67.A N THR 64.A O no hydrogen 3.143 N/A LEU 68.A N THR 63.A O no hydrogen 2.893 N/A MET 71.A N TYR 83.A O no hydrogen 2.836 N/A ASN 75.A ND2 THR 81.A O no hydrogen 2.974 N/A ASP 77.A N ASN 75.A OD1 no hydrogen 2.683 N/A ARG 79.A N ASP 77.A OD1 no hydrogen 2.790 N/A GLY 80.A N ASP 77.A O no hydrogen 3.052 N/A THR 81.A N ASP 77.A OD1 no hydrogen 3.004 N/A THR 81.A OG1 ASP 77.A OD1 no hydrogen 3.377 N/A TYR 83.A N THR 81.A O no hydrogen 3.104 N/A THR 84.A N PRO 128.A O no hydrogen 2.958 N/A THR 84.A OG1 VAL 85.A O no hydrogen 2.758 N/A THR 84.A OG1 PRO 128.A O no hydrogen 3.474 N/A VAL 85.A N PRO 69.A O no hydrogen 2.902 N/A SER 86.A OG GLY 124.A O no hydrogen 3.175 N/A VAL 87.A N VAL 126.A O no hydrogen 2.933 N/A ASP 88.A N ARG 121.A O no hydrogen 2.947 N/A GLU 90.A N HIS 119.A O no hydrogen 2.875 N/A HIS 91.A ND1 SER 93.A OG no hydrogen 2.755 N/A SER 93.A N HIS 91.A ND1 no hydrogen 2.998 N/A SER 93.A OG HIS 91.A ND1 no hydrogen 2.755 N/A THR 94.A N HIS 91.A O no hydrogen 3.100 N/A THR 94.A OG1 ALA 89.A O no hydrogen 2.941 N/A THR 94.A OG1 HIS 91.A O no hydrogen 3.399 N/A THR 95.A N ASP 102.A OD2 no hydrogen 2.870 N/A THR 95.A OG1 ASP 102.A OD2 no hydrogen 3.421 N/A GLY 97.A N ASP 102.A OD2 no hydrogen 2.864 N/A HIS 101.A ND1 ASP 102.A OD1 no hydrogen 2.707 N/A ASP 102.A N SER 99.A OG no hydrogen 3.000 N/A ARG 103.A N SER 99.A O no hydrogen 2.838 N/A ARG 103.A NE ILE 98.A O no hydrogen 2.995 N/A ARG 103.A NH1 GLY 52.A O no hydrogen 2.755 N/A ALA 104.A N ALA 100.A O no hydrogen 2.909 N/A LEU 105.A N HIS 101.A O no hydrogen 2.970 N/A ALA 106.A N ASP 102.A O no hydrogen 2.998 N/A CYS 107.A N ARG 103.A O no hydrogen 3.084 N/A CYS 107.A SG ARG 103.A O no hydrogen 3.426 N/A ARG 108.A N ALA 104.A O no hydrogen 2.909 N/A ARG 108.A NH1 VAL 38.A O no hydrogen 2.926 N/A MET 109.A N LEU 105.A O no hydrogen 2.867 N/A LEU 110.A N ALA 106.A O no hydrogen 2.888 N/A ALA 111.A N CYS 107.A O no hydrogen 3.181 N/A ALA 112.A N MET 109.A O no hydrogen 3.255 N/A ALA 115.A N ALA 112.A O no hydrogen 2.974 N/A GLN 116.A N HIS 119.A ND1 no hydrogen 3.252 N/A SER 118.A OG GLN 116.A OE1 no hydrogen 3.401 N/A HIS 119.A N GLN 116.A O no hydrogen 2.943 N/A PHE 120.A N PRO 117.A O no hydrogen 3.182 N/A ARG 121.A N ASP 88.A O no hydrogen 2.821 N/A ARG 121.A NE GLU 90.A OE2 no hydrogen 2.756 N/A ARG 121.A NH2 GLU 90.A OE1 no hydrogen 2.726 N/A ARG 122.A NE PHE 120.A O no hydrogen 2.842 N/A ARG 122.A NH1 ASP 67.A O no hydrogen 2.772 N/A ARG 122.A NH2 LEU 66.A O no hydrogen 2.963 N/A ARG 122.A NH2 ASP 67.A O no hydrogen 3.538 N/A ARG 122.A NH2 PRO 117.A O no hydrogen 2.937 N/A GLY 124.A N SER 86.A OG no hydrogen 2.900 N/A HIS 125.A N VAL 87.A O no hydrogen 3.082 N/A HIS 125.A N ASP 88.A OD1 no hydrogen 2.825 N/A HIS 125.A ND1 ASP 88.A OD1 no hydrogen 2.772 N/A HIS 125.A ND1 ASP 88.A OD2 no hydrogen 3.097 N/A VAL 126.A N VAL 87.A O no hydrogen 2.981 N/A PHE 127.A N ILE 54.A O no hydrogen 3.258 N/A LEU 129.A N ALA 56.A O no hydrogen 2.984 N/A ARG 130.A N ALA 82.A O no hydrogen 2.962 N/A ALA 131.A N LEU 58.A O no hydrogen 2.904 N/A VAL 132.A N GLU 144.A OE1 no hydrogen 2.867 N/A GLY 135.A N VAL 132.A O no hydrogen 3.015 N/A VAL 136.A N GLU 148.A OE1 no hydrogen 2.962 N/A ARG 137.A NH1 GLY 214.A O no hydrogen 2.862 N/A ALA 138.A N GLY 135.A O no hydrogen 2.956 N/A ARG 139.A N GLY 135.A O no hydrogen 3.103 N/A ARG 139.A NE ARG 79.A O no hydrogen 3.283 N/A ARG 139.A NH1 GLU 144.A OE2 no hydrogen 2.796 N/A ARG 139.A NH2 ARG 79.A O no hydrogen 3.135 N/A HIS 142.A NE2 VAL 19.A O no hydrogen 3.052 N/A HIS 142.A NE2 GLU 28.A O no hydrogen 3.057 N/A ALA 145.A N GLY 141.A O no hydrogen 2.903 N/A GLY 146.A N HIS 142.A O no hydrogen 2.904 N/A VAL 147.A N THR 143.A O no hydrogen 3.202 N/A GLU 148.A N GLU 144.A O no hydrogen 2.802 N/A LEU 149.A N ALA 145.A O no hydrogen 2.905 N/A CYS 150.A N GLY 146.A O no hydrogen 3.052 N/A CYS 150.A SG GLY 146.A O no hydrogen 3.446 N/A CYS 150.A SG ARG 156.A O no hydrogen 3.338 N/A CYS 150.A SG VAL 158.A O no hydrogen 3.372 N/A ARG 151.A N VAL 147.A O no hydrogen 3.025 N/A ARG 151.A NE GLU 148.A OE2 no hydrogen 3.296 N/A ARG 151.A NH2 GLU 148.A OE2 no hydrogen 2.564 N/A LEU 152.A N GLU 148.A O no hydrogen 2.845 N/A ALA 153.A N LEU 149.A O no hydrogen 2.845 N/A GLY 154.A N ARG 151.A O no hydrogen 3.140 N/A LYS 155.A N CYS 150.A O no hydrogen 2.840 N/A LYS 155.A NZ LYS 12.A O no hydrogen 2.865 N/A ARG 156.A N GLU 36.A OE2 no hydrogen 2.766 N/A ARG 156.A NE ALA 111.A O no hydrogen 2.778 N/A VAL 158.A N ARG 156.A O no hydrogen 2.845 N/A ALA 159.A N PRO 57.A O no hydrogen 2.849 N/A VAL 160.A N ILE 33.A O no hydrogen 2.846 N/A ILE 161.A N CYS 55.A O no hydrogen 2.844 N/A SER 162.A N LEU 31.A O no hydrogen 3.201 N/A SER 162.A OG SER 50.A OG no hydrogen 3.059 N/A SER 162.A OG LEU 53.A O no hydrogen 3.013 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.724 N/A ILE 164.A N ALA 29.A O no hydrogen 2.845 N/A ASP 166.A N GLY 181.A O no hydrogen 2.863 N/A GLY 168.A N ASP 166.A OD1 no hydrogen 2.881 N/A GLN 169.A N ALA 178.A O no hydrogen 2.826 N/A ARG 174.A N VAL 171.A O no hydrogen 3.067 N/A VAL 176.A N ARG 174.A O no hydrogen 2.888 N/A ARG 177.A NE ASP 167.A O no hydrogen 2.843 N/A ARG 177.A NH2 GLY 168.A O no hydrogen 3.040 N/A ALA 178.A N GLN 169.A O no hydrogen 2.893 N/A GLY 181.A N ASP 166.A O no hydrogen 2.929 N/A LEU 183.A N ILE 164.A O no hydrogen 3.220 N/A ARG 184.A NH1 GLU 26.A O no hydrogen 3.179 N/A ARG 184.A NH1 ASN 27.A O no hydrogen 2.944 N/A GLU 187.A N ARG 184.A O no hydrogen 2.827 N/A CYS 188.A N GLY 185.A O no hydrogen 2.885 N/A VAL 189.A N GLY 185.A O no hydrogen 3.162 N/A ALA 190.A N ASP 186.A O no hydrogen 2.916 N/A PHE 191.A N GLU 187.A O no hydrogen 2.906 N/A ALA 192.A N CYS 188.A O no hydrogen 3.043 N/A ARG 193.A N VAL 189.A O no hydrogen 2.927 N/A ARG 193.A NH1 ASP 2.A OD1 no hydrogen 3.445 N/A ARG 193.A NH1 ASP 2.A OD2 no hydrogen 2.867 N/A ARG 193.A NH2 ASP 2.A OD1 no hydrogen 2.986 N/A ARG 193.A NH2 ASP 2.A OD2 no hydrogen 3.330 N/A ARG 194.A N ALA 190.A O no hydrogen 2.961 N/A TRP 195.A N PHE 191.A O no hydrogen 3.223 N/A TRP 195.A N ALA 192.A O no hydrogen 3.238 N/A GLY 196.A N ARG 193.A O no hydrogen 3.312 N/A LEU 197.A N ALA 192.A O no hydrogen 2.856 N/A VAL 199.A N ASP 2.A OD2 no hydrogen 2.851 N/A CYS 200.A N VAL 18.A O no hydrogen 2.873 N/A ILE 202.A N LEU 20.A O no hydrogen 2.887 N/A ASP 204.A N THR 201.A OG1 no hydrogen 2.961 N/A MET 205.A N THR 201.A O no hydrogen 3.014 N/A ILE 206.A N ILE 202.A O no hydrogen 2.816 N/A ALA 207.A N GLU 203.A O no hydrogen 3.013 N/A HIS 208.A N ASP 204.A O no hydrogen 2.905 N/A VAL 209.A N MET 205.A O no hydrogen 3.024 N/A GLU 210.A N ILE 206.A O no hydrogen 2.838 N/A LYS 211.A N HIS 208.A O no hydrogen 3.042 N/A THR 212.A N VAL 209.A O no hydrogen 3.035 N/A GLU 213.A N VAL 209.A O no hydrogen 2.907 N/A GLY 214.A N GLU 210.A O no hydrogen 2.768 N/A