Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u3z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ASP 4.A OD2 no hydrogen 3.173 N/A ILE 8.A N PRO 5.A O no hydrogen 2.707 N/A PHE 9.A N PRO 5.A O no hydrogen 2.808 N/A GLU 10.A N ARG 20.A O no hydrogen 2.877 N/A VAL 12.A N LYS 18.A O no hydrogen 2.709 N/A VAL 15.A N VAL 16.A O no hydrogen 2.865 N/A TYR 17.A N ILE 30.A O no hydrogen 2.916 N/A LYS 18.A N GLU 13.A O no hydrogen 2.697 N/A GLY 19.A N ALA 28.A O no hydrogen 2.794 N/A ARG 20.A N GLU 10.A O no hydrogen 2.736 N/A ARG 20.A NE GLU 10.A OE2 no hydrogen 3.134 N/A ARG 20.A NH2 GLU 10.A OE2 no hydrogen 2.906 N/A HIS 21.A N GLN 26.A O no hydrogen 2.700 N/A HIS 21.A ND1 THR 24.A OG1 no hydrogen 2.815 N/A VAL 22.A N ILE 8.A O no hydrogen 2.976 N/A THR 24.A OG1 HIS 21.A ND1 no hydrogen 2.815 N/A THR 24.A OG1 GLN 26.A OE1 no hydrogen 2.980 N/A GLY 25.A N HIS 21.A O no hydrogen 2.730 N/A GLN 26.A N THR 24.A OG1 no hydrogen 3.224 N/A ALA 28.A N GLY 19.A O no hydrogen 2.890 N/A ALA 29.A N MET 76.A O no hydrogen 2.652 N/A ILE 30.A N TYR 17.A O no hydrogen 3.025 N/A LYS 31.A N LEU 74.A O no hydrogen 2.828 N/A LYS 31.A NZ ASP 142.A OD2 no hydrogen 2.806 N/A MET 33.A N LEU 72.A O no hydrogen 2.876 N/A VAL 35.A N ASP 70.A O no hydrogen 3.036 N/A GLU 39.A N GLU 39.A OE2 no hydrogen 2.955 N/A LYS 41.A N GLU 38.A O no hydrogen 2.724 N/A GLU 43.A N GLU 39.A O no hydrogen 3.408 N/A ILE 44.A N ILE 40.A O no hydrogen 3.329 N/A ASN 45.A N LYS 41.A O no hydrogen 3.186 N/A MET 46.A N LEU 42.A O no hydrogen 3.137 N/A MET 46.A N GLU 43.A O no hydrogen 2.909 N/A LEU 47.A N GLU 43.A O no hydrogen 2.861 N/A LYS 48.A N ILE 44.A O no hydrogen 2.817 N/A TYR 50.A N LEU 47.A O no hydrogen 2.676 N/A SER 51.A N LYS 48.A O no hydrogen 3.063 N/A SER 51.A OG LYS 48.A O no hydrogen 2.800 N/A ASN 55.A ND2 HIS 53.A NE2 no hydrogen 3.254 N/A ILE 56.A N HIS 53.A O no hydrogen 3.081 N/A ALA 57.A N LEU 140.A O no hydrogen 2.766 N/A THR 58.A N GLU 77.A OE1 no hydrogen 3.070 N/A THR 58.A OG1 GLU 77.A OE1 no hydrogen 2.927 N/A TYR 59.A N SER 51.A OG no hydrogen 3.000 N/A TYR 60.A N VAL 75.A O no hydrogen 2.781 N/A PHE 63.A N TRP 73.A O no hydrogen 3.009 N/A ILE 64.A N ARG 3.A O no hydrogen 2.839 N/A LYS 65.A N GLN 71.A O no hydrogen 2.851 N/A LYS 66.A N ILE 64.A O no hydrogen 3.203 N/A SER 67.A OG PRO 68.A O no hydrogen 3.521 N/A LEU 72.A N MET 33.A O no hydrogen 2.626 N/A TRP 73.A N PHE 63.A O no hydrogen 2.518 N/A LEU 74.A N LYS 31.A O no hydrogen 2.858 N/A VAL 75.A N GLY 61.A O no hydrogen 3.046 N/A MET 76.A N ALA 29.A O no hydrogen 2.774 N/A GLU 77.A N THR 58.A O no hydrogen 2.880 N/A ALA 81.A N LEU 132.A O no hydrogen 2.871 N/A GLY 82.A N CYS 79.A O no hydrogen 3.520 N/A ILE 84.A N VAL 130.A O no hydrogen 3.026 N/A THR 85.A N GLY 127.A O no hydrogen 3.470 N/A THR 85.A OG1 GLU 196.A OE2 no hydrogen 2.862 N/A ASP 86.A N SER 83.A OG no hydrogen 2.966 N/A LEU 87.A N SER 83.A O no hydrogen 3.128 N/A VAL 88.A N ILE 84.A O no hydrogen 3.060 N/A LYS 89.A N THR 85.A O no hydrogen 3.109 N/A ASN 90.A N ASP 86.A O no hydrogen 2.934 N/A THR 91.A N VAL 88.A O no hydrogen 2.985 N/A THR 91.A OG1 LEU 87.A O no hydrogen 2.709 N/A THR 91.A OG1 HIS 276.A NE2 no hydrogen 2.762 N/A ASN 94.A N THR 91.A O no hydrogen 2.845 N/A THR 95.A OG1 ALA 198.A O no hydrogen 2.819 N/A LEU 96.A N MET 197.A O no hydrogen 2.940 N/A LYS 97.A NZ ASP 99.A OD1 no hydrogen 2.695 N/A LYS 97.A NZ GLN 272.A OE1 no hydrogen 2.819 N/A TRP 100.A N LYS 97.A O no hydrogen 2.896 N/A TRP 100.A NE1 GLN 272.A OE1 no hydrogen 2.942 N/A ILE 101.A N LYS 97.A O no hydrogen 3.054 N/A ALA 102.A N GLU 98.A O no hydrogen 2.927 N/A TYR 103.A N ASP 99.A O no hydrogen 3.210 N/A TYR 103.A OH ALA 136.A O no hydrogen 2.970 N/A ILE 104.A N TRP 100.A O no hydrogen 3.031 N/A SER 105.A N ILE 101.A O no hydrogen 2.935 N/A SER 105.A OG ILE 101.A O no hydrogen 2.861 N/A ARG 106.A N ALA 102.A O no hydrogen 3.024 N/A ARG 106.A NE GLU 107.A OE1 no hydrogen 3.237 N/A ARG 106.A NH1 GLU 266.A OE2 no hydrogen 3.438 N/A ARG 106.A NH2 GLU 107.A OE1 no hydrogen 3.559 N/A GLU 107.A N TYR 103.A O no hydrogen 3.069 N/A ILE 108.A N ILE 104.A O no hydrogen 2.997 N/A LEU 109.A N SER 105.A O no hydrogen 2.906 N/A ARG 110.A N ARG 106.A O no hydrogen 2.872 N/A GLY 111.A N GLU 107.A O no hydrogen 3.087 N/A LEU 112.A N ILE 108.A O no hydrogen 2.915 N/A ALA 113.A N LEU 109.A O no hydrogen 2.735 N/A HIS 114.A N ARG 110.A O no hydrogen 3.215 N/A LEU 115.A N GLY 111.A O no hydrogen 3.214 N/A HIS 116.A N LEU 112.A O no hydrogen 2.742 N/A HIS 116.A ND1 THR 251.A OG1 no hydrogen 2.854 N/A HIS 116.A NE2 ASP 186.A OD1 no hydrogen 2.765 N/A ILE 117.A N ALA 113.A O no hydrogen 2.885 N/A HIS 118.A N LEU 115.A O no hydrogen 2.949 N/A HIS 118.A ND1 HIS 114.A O no hydrogen 3.147 N/A HIS 119.A N HIS 116.A O no hydrogen 2.739 N/A VAL 120.A N LEU 115.A O no hydrogen 2.991 N/A HIS 122.A N ASP 186.A OD1 no hydrogen 2.879 N/A HIS 122.A NE2 VAL 141.A O no hydrogen 2.747 N/A ARG 123.A N ASP 186.A OD2 no hydrogen 2.838 N/A ASP 124.A N HIS 122.A ND1 no hydrogen 3.106 N/A GLY 127.A N GLU 196.A OE1 no hydrogen 3.057 N/A ASN 129.A N LYS 126.A O no hydrogen 2.870 N/A ASN 129.A ND2 ASP 124.A O no hydrogen 2.737 N/A VAL 130.A N GLY 127.A O no hydrogen 3.327 N/A LEU 131.A N LYS 139.A O no hydrogen 2.820 N/A LEU 132.A N GLY 82.A O no hydrogen 2.773 N/A THR 133.A N GLU 137.A O no hydrogen 3.040 N/A THR 133.A OG1 GLU 137.A OE2 no hydrogen 2.937 N/A ALA 136.A N THR 133.A O no hydrogen 2.630 N/A GLU 137.A N THR 133.A OG1 no hydrogen 2.962 N/A LYS 139.A N LEU 131.A O no hydrogen 2.963 N/A LYS 139.A NZ ARG 54.A O no hydrogen 2.828 N/A LYS 139.A NZ GLU 77.A OE1 no hydrogen 2.851 N/A LEU 140.A N ASN 55.A O no hydrogen 2.895 N/A VAL 141.A N ASN 129.A O no hydrogen 2.897 N/A PHE 143.A N ASP 142.A OD1 no hydrogen 2.625 N/A VAL 145.A N ASP 142.A OD1 no hydrogen 3.080 N/A SER 146.A N ASP 142.A OD2 no hydrogen 2.836 N/A SER 146.A OG ASP 142.A OD2 no hydrogen 3.069 N/A GLN 148.A N GLY 144.A O no hydrogen 3.119 N/A LEU 149.A N VAL 145.A O no hydrogen 3.237 N/A ASP 150.A N SER 146.A O no hydrogen 3.097 N/A ARG 151.A N GLN 148.A O no hydrogen 3.082 N/A ARG 156.A NH1 ASP 34.A O no hydrogen 3.219 N/A ASN 157.A N GLY 154.A O no hydrogen 2.851 N/A ASN 157.A ND2 GLU 152.A O no hydrogen 3.467 N/A TYR 164.A OH MET 207.A O no hydrogen 2.579 N/A TRP 165.A NE1 GLU 196.A OE1 no hydrogen 2.975 N/A MET 166.A N PRO 163.A O no hydrogen 3.012 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.772 N/A VAL 170.A N ALA 167.A O no hydrogen 3.111 N/A ILE 171.A N PRO 168.A O no hydrogen 3.119 N/A CYS 173.A N ASN 176.A O no hydrogen 3.076 N/A CYS 173.A SG GLU 175.A OE1 no hydrogen 3.108 N/A ASN 176.A N CYS 173.A O no hydrogen 2.879 N/A ASN 176.A ND2 GLU 169.A O no hydrogen 2.974 N/A ASN 176.A ND2 ILE 171.A O no hydrogen 3.494 N/A ALA 179.A N ASN 176.A O no hydrogen 3.333 N/A ARG 184.A N ASP 182.A OD1 no hydrogen 2.952 N/A ARG 184.A NE ASP 182.A OD1 no hydrogen 2.945 N/A ARG 184.A NH1 ASP 182.A OD2 no hydrogen 2.537 N/A SER 185.A N ASP 182.A O no hydrogen 2.909 N/A SER 185.A OG ASP 182.A O no hydrogen 2.622 N/A ASP 186.A N TYR 183.A O no hydrogen 2.982 N/A LEU 187.A N ARG 184.A O no hydrogen 3.145 N/A TRP 188.A N ARG 184.A O no hydrogen 3.397 N/A SER 189.A N SER 185.A O no hydrogen 3.288 N/A SER 189.A OG TRP 165.A O no hydrogen 2.900 N/A SER 189.A OG SER 185.A O no hydrogen 3.387 N/A CYS 190.A N.A ASP 186.A O no hydrogen 2.987 N/A CYS 190.A N.B ASP 186.A O no hydrogen 2.990 N/A CYS 190.A SG.B ASP 186.A O no hydrogen 3.366 N/A GLY 191.A N LEU 187.A O no hydrogen 3.125 N/A ILE 192.A N TRP 188.A O no hydrogen 2.956 N/A THR 193.A N SER 189.A O no hydrogen 2.794 N/A THR 193.A OG1 SER 189.A O no hydrogen 2.819 N/A ALA 194.A N CYS 190.A O.A no hydrogen 2.845 N/A ALA 194.A N CYS 190.A O.B no hydrogen 2.755 N/A ILE 195.A N GLY 191.A O no hydrogen 3.040 N/A GLU 196.A N ILE 192.A O no hydrogen 2.940 N/A MET 197.A N THR 193.A O no hydrogen 2.954 N/A ALA 198.A N ALA 194.A O no hydrogen 2.998 N/A GLU 199.A N ILE 195.A O no hydrogen 2.667 N/A GLY 200.A N GLU 196.A O no hydrogen 2.745 N/A CYS 205.A SG ASP 206.A OD1 no hydrogen 3.887 N/A MET 207.A N LEU 204.A O no hydrogen 2.939 N/A MET 210.A N HIS 208.A ND1 no hydrogen 3.138 N/A ALA 212.A N HIS 208.A O no hydrogen 2.912 N/A LEU 213.A N PRO 209.A O no hydrogen 2.828 N/A PHE 214.A N MET 210.A O no hydrogen 3.091 N/A LEU 215.A N ARG 211.A O no hydrogen 2.863 N/A ILE 216.A N ALA 212.A O no hydrogen 3.011 N/A ARG 218.A N LEU 215.A O no hydrogen 2.948 N/A ARG 218.A NH2 PHE 214.A O no hydrogen 2.580 N/A ASN 219.A N LEU 215.A O no hydrogen 2.705 N/A LYS 225.A N GLU 199.A OE2 no hydrogen 2.680 N/A LYS 228.A N SER 226.A OG no hydrogen 2.953 N/A SER 230.A N GLU 98.A OE1 no hydrogen 2.910 N/A SER 230.A OG GLU 98.A OE1 no hydrogen 3.485 N/A SER 230.A OG GLU 98.A OE2 no hydrogen 2.468 N/A PHE 233.A N SER 230.A OG no hydrogen 3.044 N/A PHE 234.A N SER 230.A O no hydrogen 3.201 N/A SER 235.A N LYS 231.A O no hydrogen 2.895 N/A SER 235.A OG HIS 257.A NE2 no hydrogen 2.559 N/A PHE 236.A N LYS 232.A O no hydrogen 2.883 N/A ILE 237.A N PHE 233.A O no hydrogen 2.953 N/A GLU 238.A N PHE 234.A O no hydrogen 2.956 N/A GLY 239.A N SER 235.A O no hydrogen 3.059 N/A CYS 240.A N PHE 236.A O no hydrogen 3.012 N/A CYS 240.A SG PHE 236.A O no hydrogen 3.595 N/A LEU 241.A N ILE 237.A O no hydrogen 3.004 N/A LYS 243.A NZ PRO 217.A O no hydrogen 2.908 N/A LYS 243.A NZ ASN 219.A O no hydrogen 2.844 N/A MET 246.A N ASN 244.A OD1 no hydrogen 3.055 N/A GLN 247.A N ASN 244.A O no hydrogen 2.960 N/A ARG 248.A N TYR 245.A O no hydrogen 3.061 N/A ARG 248.A NE VAL 242.A O no hydrogen 2.807 N/A ARG 248.A NH1 GLU 169.A OE2 no hydrogen 2.868 N/A ARG 248.A NH1 ARG 184.A O no hydrogen 2.827 N/A ARG 248.A NH2 GLU 169.A OE1 no hydrogen 2.934 N/A ARG 248.A NH2 VAL 242.A O no hydrogen 2.986 N/A ARG 248.A NH2 LYS 243.A O no hydrogen 3.258 N/A SER 250.A N GLN 253.A OE1 no hydrogen 3.062 N/A THR 251.A OG1 HIS 116.A ND1 no hydrogen 2.854 N/A GLN 253.A N SER 250.A OG no hydrogen 3.387 N/A LEU 254.A N SER 250.A O no hydrogen 3.046 N/A LEU 255.A N THR 251.A O no hydrogen 3.004 N/A LYS 256.A N GLN 253.A O no hydrogen 2.961 N/A HIS 257.A N LEU 254.A O no hydrogen 3.005 N/A HIS 257.A NE2 SER 235.A OG no hydrogen 2.559 N/A PHE 259.A N HIS 257.A ND1 no hydrogen 3.218 N/A ILE 260.A N HIS 257.A O no hydrogen 2.796 N/A ARG 261.A N HIS 257.A O no hydrogen 2.662 N/A ARG 261.A NE ASP 262.A OD1 no hydrogen 2.777 N/A ARG 261.A NH2 ASP 262.A OD2 no hydrogen 2.977 N/A ASP 262.A N PRO 258.A O no hydrogen 3.133 N/A GLU 266.A N GLN 263.A O no hydrogen 3.286 N/A VAL 269.A N ASN 265.A O no hydrogen 2.743 N/A ARG 270.A N GLU 266.A O no hydrogen 2.918 N/A ARG 270.A NE GLU 266.A OE1 no hydrogen 3.329 N/A ARG 270.A NH2 GLU 137.A OE1 no hydrogen 3.443 N/A ILE 271.A N ARG 267.A O no hydrogen 3.155 N/A GLN 272.A N GLN 268.A O no hydrogen 2.833 N/A LEU 273.A N VAL 269.A O no hydrogen 2.817 N/A LYS 274.A N ARG 270.A O no hydrogen 3.047 N/A ASP 275.A N ILE 271.A O no hydrogen 3.113 N/A HIS 276.A N GLN 272.A O no hydrogen 2.848 N/A HIS 276.A NE2 THR 91.A OG1 no hydrogen 2.762 N/A ILE 277.A N LEU 273.A O no hydrogen 2.767 N/A ASP 278.A N LYS 274.A O no hydrogen 3.207 N/A ARG 279.A N ASP 275.A O no hydrogen 2.873 N/A THR 280.A N HIS 276.A O no hydrogen 3.035 N/A ARG 281.A N ILE 277.A O no hydrogen 3.041 N/A ARG 281.A NH2 GLU 134.A OE2 no hydrogen 3.547 N/A