Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4p3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 223.A OE1 no hydrogen 3.341 N/A THR 3.A OG1 HIS 219.A NE2 no hydrogen 2.817 N/A LEU 9.A N GLY 273.A O no hydrogen 2.900 N/A ASN 11.A N PRO 8.A O no hydrogen 2.924 N/A LEU 12.A N LEU 9.A O no hydrogen 3.030 N/A ALA 13.A N GLU 215.A OE1 no hydrogen 2.807 N/A ASN 14.A N ALA 19.A O no hydrogen 2.777 N/A ASN 14.A ND2 SER 196.A OG no hydrogen 2.902 N/A ASN 14.A ND2 VAL 208.A O no hydrogen 3.135 N/A SER 15.A OG LEU 212.A O no hydrogen 2.690 N/A ARG 16.A N ASN 14.A OD1 no hydrogen 2.799 N/A ARG 16.A NE ASP 97.A OD1 no hydrogen 2.808 N/A ARG 16.A NE ASP 97.A OD2 no hydrogen 3.184 N/A ARG 16.A NH1 PRO 166.A O no hydrogen 2.876 N/A ARG 16.A NH1 PRO 209.A O no hydrogen 2.871 N/A ARG 16.A NH2 ASP 97.A O no hydrogen 3.047 N/A ARG 16.A NH2 ASP 97.A OD1 no hydrogen 3.368 N/A ARG 16.A NH2 PRO 166.A O no hydrogen 3.003 N/A VAL 17.A N ASN 14.A OD1 no hydrogen 3.354 N/A ILE 21.A N LEU 12.A O no hydrogen 2.781 N/A ASN 22.A N MET 195.A O no hydrogen 2.918 N/A THR 25.A N TYR 193.A O no hydrogen 2.861 N/A THR 25.A OG1 VAL 26.A O no hydrogen 3.288 N/A SER 27.A OG ASP 29.A O no hydrogen 2.725 N/A ASN 31.A N ASP 29.A OD1 no hydrogen 3.063 N/A GLN 32.A N ASP 29.A O no hydrogen 3.002 N/A VAL 34.A N ILE 182.A O no hydrogen 3.420 N/A GLN 35.A NE2 ALA 179.A O no hydrogen 2.932 N/A GLN 37.A N ASP 97.A OD2 no hydrogen 2.743 N/A GLN 37.A NE2 GLN 35.A O no hydrogen 2.823 N/A GLN 37.A NE2 ALA 179.A O no hydrogen 3.107 N/A ASN 38.A N ASP 97.A OD2 no hydrogen 3.035 N/A ASN 38.A ND2 PHE 95.A O no hydrogen 2.792 N/A ARG 40.A N THR 51.A OG1 no hydrogen 2.775 N/A ARG 40.A NH1 PHE 36.A O no hydrogen 2.835 N/A ARG 40.A NH1 PRO 180.A O no hydrogen 2.876 N/A ARG 40.A NH2 PRO 180.A O no hydrogen 2.787 N/A CYS 41.A SG THR 42.A O no hydrogen 3.440 N/A CYS 41.A SG GLN 46.A O no hydrogen 3.689 N/A CYS 41.A SG VAL 217.A O no hydrogen 3.967 N/A THR 42.A N GLN 46.A O no hydrogen 2.934 N/A LEU 43.A N PRO 252.A O no hydrogen 3.015 N/A GLY 45.A N THR 42.A O no hydrogen 2.889 N/A GLN 46.A N THR 42.A OG1 no hydrogen 3.110 N/A LEU 48.A N ARG 40.A O no hydrogen 2.996 N/A THR 50.A N GLN 37.A O no hydrogen 2.955 N/A THR 50.A OG1 GLN 37.A O no hydrogen 3.366 N/A THR 50.A OG1 ASN 38.A OD1 no hydrogen 2.671 N/A THR 51.A N LEU 48.A O no hydrogen 3.168 N/A THR 51.A OG1 GLN 37.A O no hydrogen 2.985 N/A THR 51.A OG1 ARG 40.A O no hydrogen 3.147 N/A THR 51.A OG1 LEU 48.A O no hydrogen 2.899 N/A VAL 53.A N GLN 57.A OE1 no hydrogen 3.225 N/A SER 54.A N GLN 57.A OE1 no hydrogen 2.949 N/A SER 56.A N SER 54.A OG no hydrogen 3.131 N/A GLN 57.A N SER 54.A O no hydrogen 2.956 N/A VAL 58.A N ALA 55.A O no hydrogen 3.375 N/A ARG 60.A N GLY 94.A O no hydrogen 3.151 N/A ARG 60.A NE THR 151.A OG1 no hydrogen 3.081 N/A ARG 60.A NH1 SER 56.A O no hydrogen 2.927 N/A ILE 61.A N GLY 150.A O no hydrogen 2.940 N/A ARG 62.A NE ASP 147.A OD1 no hydrogen 2.926 N/A ARG 62.A NE ASP 147.A OD2 no hydrogen 3.395 N/A ARG 62.A NH1 LEU 79.A O no hydrogen 2.947 N/A ARG 62.A NH2 ASP 147.A OD2 no hydrogen 2.682 N/A GLY 63.A N GLN 148.A O no hydrogen 3.020 N/A LYS 64.A N ASN 75.A O no hydrogen 2.932 N/A VAL 65.A N GLY 146.A O no hydrogen 2.997 N/A PHE 66.A N GLY 73.A O no hydrogen 2.922 N/A THR 68.A N GLY 71.A O no hydrogen 2.613 N/A THR 68.A OG1 SER 70.A OG no hydrogen 3.157 N/A THR 68.A OG1 GLY 71.A O no hydrogen 3.247 N/A SER 70.A N THR 68.A OG1 no hydrogen 3.162 N/A SER 70.A OG THR 68.A OG1 no hydrogen 3.157 N/A GLY 71.A N THR 68.A OG1 no hydrogen 2.755 N/A GLY 73.A N PHE 66.A O no hydrogen 2.897 N/A LEU 74.A N ILE 136.A O no hydrogen 2.776 N/A ASN 75.A N LYS 64.A O no hydrogen 2.833 N/A LEU 76.A N GLY 134.A O no hydrogen 2.859 N/A THR 77.A N ARG 62.A O no hydrogen 2.980 N/A THR 77.A OG1 GLU 78.A O no hydrogen 2.920 N/A GLU 78.A N THR 82.A O no hydrogen 2.872 N/A GLY 81.A N GLU 78.A O no hydrogen 2.894 N/A THR 82.A N ASP 80.A OD1 no hydrogen 3.093 N/A THR 82.A OG1 ASP 80.A OD1 no hydrogen 2.683 N/A TYR 84.A OH HIS 132.A O no hydrogen 2.705 N/A LEU 93.A N GLU 78.A OE1 no hydrogen 2.934 N/A GLY 94.A N THR 50.A O no hydrogen 2.740 N/A PHE 95.A N PRO 92.A O no hydrogen 3.132 N/A GLY 99.A N LYS 168.A O no hydrogen 2.857 N/A ALA 100.A N GLN 125.A OE1 no hydrogen 3.133 N/A CYS 101.A SG ILE 98.A O no hydrogen 3.494 N/A CYS 101.A SG GLY 99.A O no hydrogen 3.591 N/A CYS 101.A SG ASP 102.A O no hydrogen 4.003 N/A ASP 102.A N SER 156.A O no hydrogen 2.777 N/A TRP 103.A N VAL 123.A O no hydrogen 2.827 N/A TRP 103.A NE1 ILE 98.A O no hydrogen 2.846 N/A HIS 104.A N TRP 154.A O no hydrogen 2.963 N/A VAL 105.A N LEU 121.A O no hydrogen 2.907 N/A SER 106.A N THR 151.A O no hydrogen 3.030 N/A THR 107.A N SER 119.A O no hydrogen 2.819 N/A THR 107.A OG1 GLN 148.A OE1 no hydrogen 2.726 N/A PHE 108.A N LEU 149.A O no hydrogen 2.920 N/A LYS 109.A NZ THR 145.A OG1 no hydrogen 3.168 N/A VAL 110.A N ASP 147.A O no hydrogen 2.909 N/A MET 118.A N ASP 116.A OD1 no hydrogen 3.013 N/A SER 119.A N THR 107.A O no hydrogen 2.918 N/A ARG 120.A N GLN 142.A OE1 no hydrogen 2.790 N/A ARG 120.A NE ASP 122.A OD1 no hydrogen 2.788 N/A ARG 120.A NH2 ASP 122.A OD1 no hydrogen 3.423 N/A ARG 120.A NH2 ASP 122.A OD2 no hydrogen 3.173 N/A LEU 121.A N VAL 105.A O no hydrogen 2.748 N/A ASP 122.A N THR 139.A O no hydrogen 2.776 N/A VAL 123.A N TRP 103.A O no hydrogen 2.847 N/A LYS 124.A NZ ASP 102.A OD1 no hydrogen 2.928 N/A LYS 124.A NZ ASP 102.A OD2 no hydrogen 2.866 N/A LYS 124.A NZ SER 158.A O no hydrogen 3.172 N/A GLN 125.A NE2 ILE 98.A O no hydrogen 2.915 N/A GLN 125.A NE2 CYS 101.A O no hydrogen 2.955 N/A PHE 129.A N ASN 126.A O no hydrogen 2.970 N/A ALA 130.A N SER 135.A O no hydrogen 3.181 N/A HIS 132.A N TYR 172.A O no hydrogen 3.057 N/A HIS 132.A ND1 SER 89.A O no hydrogen 2.855 N/A GLY 134.A N ALA 130.A O no hydrogen 3.092 N/A SER 135.A N ALA 130.A O no hydrogen 3.316 N/A ILE 136.A N LEU 74.A O no hydrogen 3.159 N/A PHE 138.A N LYS 72.A O no hydrogen 3.222 N/A THR 139.A N ASP 122.A O no hydrogen 2.989 N/A SER 140.A OG ARG 120.A O no hydrogen 2.939 N/A SER 140.A OG GLN 142.A OE1 no hydrogen 3.062 N/A GLN 142.A N SER 140.A OG no hydrogen 2.984 N/A GLN 148.A N GLY 63.A O no hydrogen 2.861 N/A GLN 148.A NE2 THR 145.A O no hydrogen 2.901 N/A LEU 149.A N PHE 108.A O no hydrogen 2.968 N/A GLY 150.A N ILE 61.A O no hydrogen 2.847 N/A THR 151.A N SER 106.A O no hydrogen 3.101 N/A LEU 152.A N ALA 59.A O no hydrogen 2.927 N/A ALA 153.A N HIS 104.A O no hydrogen 2.809 N/A TRP 154.A N HIS 104.A O no hydrogen 3.311 N/A VAL 155.A N PRO 199.A O no hydrogen 3.259 N/A SER 156.A N ASP 102.A O no hydrogen 3.069 N/A ALA 162.A N THR 159.A O no hydrogen 3.158 N/A VAL 164.A N SER 202.A O no hydrogen 2.872 N/A TRP 167.A N ASP 165.A OD1 no hydrogen 2.970 N/A LYS 168.A N ASP 165.A O no hydrogen 3.172 N/A ALA 179.A N GLN 37.A OE1 no hydrogen 2.717 N/A ILE 182.A N VAL 34.A O no hydrogen 2.807 N/A GLU 189.A N GLY 186.A O no hydrogen 2.884 N/A ALA 190.A N CYS 258.A O no hydrogen 2.773 N/A VAL 192.A N ILE 256.A O no hydrogen 2.832 N/A TYR 193.A N THR 25.A O no hydrogen 2.887 N/A PHE 194.A N CYS 210.A O no hydrogen 2.853 N/A MET 195.A N LYS 23.A O no hydrogen 2.892 N/A SER 196.A N VAL 208.A O no hydrogen 3.086 N/A SER 196.A OG MET 20.A O no hydrogen 2.785 N/A PHE 198.A N ALA 206.A O no hydrogen 2.950 N/A ILE 200.A N PHE 198.A O no hydrogen 2.794 N/A VAL 201.A N VAL 155.A O no hydrogen 2.902 N/A GLN 207.A NE2 THR 205.A OG1 no hydrogen 3.138 N/A VAL 208.A N SER 196.A O no hydrogen 2.884 N/A CYS 210.A N PHE 194.A O no hydrogen 2.879 N/A CYS 210.A SG PHE 194.A O no hydrogen 3.634 N/A CYS 210.A SG LEU 212.A O no hydrogen 3.477 N/A GLN 214.A N ALA 13.A O no hydrogen 2.869 N/A GLN 214.A NE2 PRO 52.A O no hydrogen 2.968 N/A GLN 214.A NE2 VAL 53.A O no hydrogen 2.950 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.755 N/A PHE 216.A N PRO 213.A O no hydrogen 3.017 N/A VAL 217.A N PRO 213.A O no hydrogen 3.350 N/A SER 218.A N GLN 214.A O no hydrogen 3.085 N/A SER 218.A OG GLU 215.A O no hydrogen 3.322 N/A HIS 219.A N GLU 215.A O no hydrogen 3.023 N/A HIS 219.A NE2 THR 3.A OG1 no hydrogen 2.817 N/A PHE 220.A N PHE 216.A O no hydrogen 2.967 N/A VAL 221.A N VAL 217.A O no hydrogen 3.052 N/A GLU 222.A N SER 218.A O no hydrogen 2.929 N/A GLN 223.A N HIS 219.A O no hydrogen 2.990 N/A GLN 223.A NE2 THR 3.A OG1 no hydrogen 2.871 N/A GLN 224.A N PHE 220.A O no hydrogen 3.057 N/A GLN 224.A NE2 GLY 45.A O no hydrogen 3.441 N/A GLN 224.A NE2 VAL 221.A O no hydrogen 2.799 N/A ALA 231.A N VAL 281.A O no hydrogen 3.165 N/A ALA 232.A N LEU 250.A O no hydrogen 2.797 N/A LEU 233.A N SER 279.A O no hydrogen 2.788 N/A LEU 234.A N PHE 248.A O no hydrogen 2.773 N/A HIS 235.A N VAL 276.A O no hydrogen 2.907 N/A TYR 236.A N GLY 246.A O no hydrogen 2.961 N/A TYR 236.A OH PRO 270.A O no hydrogen 2.673 N/A VAL 237.A N VAL 274.A O no hydrogen 2.763 N/A ASP 238.A N ARG 243.A O no hydrogen 3.043 N/A ASP 240.A N ASP 238.A OD1 no hydrogen 2.792 N/A THR 241.A N ASP 238.A OD1 no hydrogen 2.879 N/A HIS 242.A N ASP 238.A O no hydrogen 2.692 N/A ARG 243.A N THR 241.A OG1 no hydrogen 3.355 N/A LEU 245.A N TYR 236.A O no hydrogen 2.716 N/A GLY 246.A N ASN 244.A OD1 no hydrogen 2.903 N/A PHE 248.A N LEU 234.A O no hydrogen 2.915 N/A LYS 249.A N THR 257.A O no hydrogen 3.046 N/A LYS 249.A NZ GLU 189.A OE2 no hydrogen 2.704 N/A LYS 249.A NZ ARG 283.A O no hydrogen 2.890 N/A LYS 249.A NZ TYR 285.A O no hydrogen 2.740 N/A LEU 250.A N ALA 232.A O no hydrogen 2.710 N/A TYR 251.A N PHE 255.A O no hydrogen 2.922 N/A TYR 251.A OH GLU 189.A OE1 no hydrogen 2.622 N/A GLY 254.A N TYR 251.A O no hydrogen 2.790 N/A THR 257.A N LYS 249.A O no hydrogen 2.905 N/A THR 257.A OG1 GLU 189.A OE1 no hydrogen 2.716 N/A CYS 258.A N ALA 190.A O no hydrogen 3.075 N/A ASN 261.A N VAL 290.A O no hydrogen 2.970 N/A GLY 264.A N ASN 261.A O no hydrogen 2.875 N/A GLN 267.A N GLN 267.A OE1 no hydrogen 2.766 N/A GLN 267.A NE2 GLY 264.A O no hydrogen 3.258 N/A ASN 268.A N GLY 265.A O no hydrogen 2.957 N/A LEU 269.A N PRO 266.A O no hydrogen 3.004 N/A GLY 273.A N TYR 236.A OH no hydrogen 3.017 N/A VAL 274.A N VAL 237.A O no hydrogen 2.832 N/A VAL 276.A N HIS 235.A O no hydrogen 2.807 N/A SER 278.A N LEU 233.A O no hydrogen 2.794 N/A SER 279.A N LEU 233.A O no hydrogen 3.436 N/A VAL 281.A N ALA 231.A O no hydrogen 2.847 N/A ARG 283.A N GLU 230.A OE1 no hydrogen 2.824 N/A ARG 283.A NH1 PRO 185.A O no hydrogen 3.018 N/A ARG 283.A NH1 ARG 283.A O no hydrogen 3.134 N/A ARG 283.A NH2 PRO 185.A O no hydrogen 2.191 N/A TYR 284.A N SER 282.A OG no hydrogen 2.714 N/A TYR 285.A N SER 282.A O no hydrogen 3.077 N/A TYR 285.A OH GLU 247.A OE2 no hydrogen 2.829 N/A GLN 286.A NE2 PHE 187.A O no hydrogen 2.975 N/A LYS 288.A N GLU 247.A OE1 no hydrogen 2.978 N/A VAL 290.A N VAL 259.A O no hydrogen 2.788 N/A