Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9kfu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ASP 67.A OD1 no hydrogen 3.328 N/A THR 3.A OG1 ASP 67.A OD2 no hydrogen 2.881 N/A LEU 4.A N ASP 67.A OD1 no hydrogen 2.687 N/A ALA 5.A N THR 3.A OG1 no hydrogen 3.127 N/A ASN 6.A N LEU 4.A O no hydrogen 2.917 N/A ASN 6.A ND2 THR 3.A O no hydrogen 3.001 N/A LYS 17.A NZ ASP 15.A OD1 no hydrogen 3.104 N/A TRP 18.A N ASP 15.A O no hydrogen 2.979 N/A GLU 19.A N PRO 16.A O no hydrogen 3.216 N/A LEU 20.A N ALA 95.A O no hydrogen 2.835 N/A ARG 22.A NE GLN 98.A O no hydrogen 3.075 N/A ARG 22.A NH1 PRO 101.A O no hydrogen 2.940 N/A ARG 22.A NH2 GLN 98.A O no hydrogen 2.871 N/A ARG 22.A NH2 PRO 101.A O no hydrogen 2.901 N/A ARG 24.A N SER 21.A O no hydrogen 3.000 N/A ARG 24.A NE ILE 45.A O no hydrogen 3.002 N/A ARG 24.A NH1 ILE 45.A O no hydrogen 2.898 N/A LEU 25.A N ARG 22.A O no hydrogen 3.155 N/A THR 26.A N GLU 43.A O no hydrogen 2.924 N/A GLY 28.A N MET 41.A O no hydrogen 2.675 N/A LEU 31.A N VAL 39.A O no hydrogen 2.756 N/A GLY 34.A N GLY 37.A O no hydrogen 2.759 N/A GLN 38.A N MET 60.A O no hydrogen 2.883 N/A GLN 38.A NE2 LEU 61.A O no hydrogen 3.068 N/A VAL 39.A N GLY 32.A O no hydrogen 2.829 N/A VAL 40.A N VAL 58.A O no hydrogen 2.889 N/A MET 41.A N LYS 29.A O no hydrogen 2.822 N/A ALA 42.A N VAL 56.A O no hydrogen 2.980 N/A GLU 43.A N THR 26.A O no hydrogen 2.913 N/A ALA 44.A N VAL 54.A O no hydrogen 2.933 N/A ILE 45.A N ARG 24.A O no hydrogen 2.827 N/A LYS 52.A NZ PRO 53.A O no hydrogen 3.523 N/A VAL 54.A N ALA 44.A O no hydrogen 2.919 N/A VAL 56.A N ALA 42.A O no hydrogen 2.812 N/A ALA 57.A N VAL 106.A O no hydrogen 2.927 N/A VAL 58.A N VAL 40.A O no hydrogen 2.788 N/A LYS 59.A N VAL 104.A O no hydrogen 2.830 N/A LYS 59.A NZ GLU 76.A OE1 no hydrogen 2.766 N/A LYS 59.A NZ GLU 76.A OE2 no hydrogen 3.475 N/A MET 60.A N GLN 38.A O no hydrogen 2.963 N/A LYS 62.A NZ GLY 34.A O no hydrogen 3.260 N/A LYS 62.A NZ ALA 35.A O no hydrogen 2.987 N/A ALA 65.A N LYS 62.A O no hydrogen 3.036 N/A THR 66.A N ASP 69.A OD2 no hydrogen 3.102 N/A LYS 68.A NZ ASP 72.A OD2 no hydrogen 3.079 N/A ASP 69.A N THR 66.A OG1 no hydrogen 3.005 N/A LEU 70.A N THR 66.A O no hydrogen 3.460 N/A SER 71.A N ASP 67.A O no hydrogen 3.319 N/A ASP 72.A N LYS 68.A O no hydrogen 2.761 N/A LEU 73.A N ASP 69.A O no hydrogen 2.910 N/A VAL 74.A N LEU 70.A O no hydrogen 2.967 N/A SER 75.A N SER 71.A O no hydrogen 2.939 N/A GLU 76.A N ASP 72.A O no hydrogen 2.980 N/A MET 77.A N LEU 73.A O no hydrogen 2.990 N/A GLU 78.A N VAL 74.A O no hydrogen 2.874 N/A MET 79.A N SER 75.A O no hydrogen 2.943 N/A MET 80.A N GLU 76.A O no hydrogen 3.016 N/A LYS 81.A N MET 77.A O no hydrogen 2.923 N/A LYS 81.A NZ ASP 15.A OD2 no hydrogen 2.779 N/A LYS 81.A NZ GLU 78.A OE2 no hydrogen 2.819 N/A MET 82.A N MET 79.A O no hydrogen 2.985 N/A ILE 83.A N MET 80.A O no hydrogen 3.193 N/A LYS 85.A NZ GLU 107.A OE1 no hydrogen 3.250 N/A ASN 88.A N HIS 86.A ND1 no hydrogen 2.971 N/A ASN 88.A ND2 GLN 138.A OE1 no hydrogen 3.539 N/A ASN 88.A ND2 MET 169.A O no hydrogen 2.977 N/A ILE 89.A N HIS 86.A O no hydrogen 3.138 N/A ILE 90.A N ILE 171.A O no hydrogen 2.859 N/A ASN 91.A N GLU 107.A OE2 no hydrogen 2.862 N/A ASN 91.A ND2 HIS 86.A O no hydrogen 3.137 N/A LEU 93.A N LEU 105.A O no hydrogen 2.804 N/A GLY 94.A N LEU 105.A O no hydrogen 3.385 N/A ALA 95.A N TRP 18.A O no hydrogen 2.967 N/A CYS 96.A N TYR 103.A O no hydrogen 2.833 N/A CYS 96.A SG LEU 20.A O no hydrogen 3.392 N/A THR 97.A N GLU 19.A OE2 no hydrogen 2.720 N/A THR 97.A OG1 GLU 19.A OE1 no hydrogen 2.752 N/A THR 97.A OG1 GLU 19.A OE2 no hydrogen 3.518 N/A GLN 98.A N GLU 19.A OE2 no hydrogen 3.231 N/A GLN 98.A NE2 LEU 12.A O no hydrogen 3.198 N/A GLN 98.A NE2 THR 97.A OG1 no hydrogen 2.891 N/A TYR 103.A N CYS 96.A O no hydrogen 3.023 N/A VAL 104.A N LYS 59.A O no hydrogen 2.850 N/A LEU 105.A N GLY 94.A O no hydrogen 2.871 N/A VAL 106.A N ALA 57.A O no hydrogen 2.854 N/A GLU 107.A N ASN 91.A O no hydrogen 3.085 N/A LYS 111.A N VAL 163.A O no hydrogen 2.853 N/A LYS 111.A NZ GLU 165.A O no hydrogen 3.526 N/A LYS 111.A NZ ASN 167.A OD1 no hydrogen 2.782 N/A GLY 112.A N ALA 109.A O no hydrogen 3.277 N/A ASN 113.A ND2 GLU 116.A OE2 no hydrogen 3.011 N/A LEU 114.A N VAL 161.A O no hydrogen 2.721 N/A ARG 115.A N ALA 158.A O no hydrogen 3.323 N/A GLU 116.A N ASN 113.A OD1 no hydrogen 2.921 N/A PHE 117.A N ASN 113.A O no hydrogen 3.083 N/A LEU 118.A N LEU 114.A O no hydrogen 2.873 N/A ARG 119.A N ARG 115.A O no hydrogen 3.040 N/A ARG 119.A NH2 GLY 223.A O no hydrogen 2.944 N/A ALA 120.A N GLU 116.A O no hydrogen 2.921 N/A ARG 121.A N LEU 118.A O no hydrogen 3.048 N/A ARG 121.A NH1 PHE 117.A O no hydrogen 2.949 N/A ARG 122.A N ARG 119.A O no hydrogen 3.225 N/A ARG 122.A NE LEU 222.A O no hydrogen 2.885 N/A ARG 122.A NH2 THR 221.A O no hydrogen 3.006 N/A ARG 122.A NH2 LEU 222.A O no hydrogen 3.413 N/A THR 128.A N ASP 131.A OD2 no hydrogen 2.918 N/A ASP 131.A N THR 128.A OG1 no hydrogen 3.131 N/A LEU 132.A N THR 128.A O no hydrogen 3.043 N/A VAL 133.A N PHE 129.A O no hydrogen 2.941 N/A SER 134.A N LYS 130.A O no hydrogen 2.902 N/A CYS 135.A N ASP 131.A O no hydrogen 2.986 N/A CYS 135.A SG.A ASP 131.A O no hydrogen 3.305 N/A ALA 136.A N LEU 132.A O no hydrogen 3.076 N/A TYR 137.A N VAL 133.A O no hydrogen 2.865 N/A GLN 138.A N SER 134.A O no hydrogen 2.966 N/A GLN 138.A NE2 SER 134.A O no hydrogen 3.425 N/A GLN 138.A NE2 SER 134.A OG no hydrogen 3.111 N/A VAL 139.A N CYS 135.A O no hydrogen 3.116 N/A ALA 140.A N ALA 136.A O no hydrogen 2.915 N/A ARG 141.A N TYR 137.A O no hydrogen 2.910 N/A GLY 142.A N GLN 138.A O no hydrogen 2.988 N/A MET 143.A N VAL 139.A O no hydrogen 2.905 N/A GLU 144.A N ALA 140.A O no hydrogen 2.805 N/A TYR 145.A N ARG 141.A O no hydrogen 3.059 N/A LEU 146.A N GLY 142.A O no hydrogen 2.925 N/A ALA 147.A N MET 143.A O no hydrogen 2.810 N/A SER 148.A N GLU 144.A O no hydrogen 3.039 N/A SER 148.A OG TYR 145.A O no hydrogen 2.716 N/A SER 148.A OG GLN 149.A OE1 no hydrogen 3.175 N/A GLN 149.A N TYR 145.A O no hydrogen 3.029 N/A GLN 149.A N LEU 146.A O no hydrogen 2.957 N/A LYS 150.A N ALA 147.A O no hydrogen 2.954 N/A CYS 151.A N LEU 146.A O no hydrogen 3.089 N/A CYS 151.A SG ILE 152.A O no hydrogen 3.785 N/A CYS 151.A SG ARG 178.A O no hydrogen 3.939 N/A ILE 152.A N ARG 178.A O no hydrogen 3.000 N/A HIS 153.A N ASP 208.A OD2 no hydrogen 2.878 N/A HIS 153.A NE2 ALA 172.A O no hydrogen 2.839 N/A ARG 154.A N ASP 208.A OD1 no hydrogen 2.954 N/A ARG 154.A NE LEU 176.A O no hydrogen 2.819 N/A ARG 154.A NH1 LEU 176.A O no hydrogen 2.970 N/A ARG 154.A NH2 ASN 185.A OD1 no hydrogen 2.750 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 3.089 N/A ALA 158.A N GLU 218.A OE2 no hydrogen 2.906 N/A ARG 159.A NH2 ASP 155.A OD1 no hydrogen 3.130 N/A ASN 160.A N ALA 157.A O no hydrogen 2.823 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.744 N/A ASN 160.A ND2 ASP 155.A OD2 no hydrogen 2.992 N/A VAL 161.A N ALA 158.A O no hydrogen 3.258 N/A LEU 162.A N LYS 170.A O no hydrogen 2.749 N/A VAL 163.A N GLY 112.A O no hydrogen 2.779 N/A THR 164.A N VAL 168.A O no hydrogen 2.974 N/A ASP 166.A N THR 164.A OG1 no hydrogen 3.292 N/A ASN 167.A N THR 164.A O no hydrogen 2.889 N/A VAL 168.A N THR 164.A OG1 no hydrogen 2.956 N/A MET 169.A N GLN 138.A OE1 no hydrogen 2.952 N/A LYS 170.A N LEU 162.A O no hydrogen 2.799 N/A LYS 170.A NZ LYS 87.A O no hydrogen 2.971 N/A LYS 170.A NZ ILE 89.A O no hydrogen 3.391 N/A LYS 170.A NZ GLU 107.A OE2 no hydrogen 3.022 N/A ILE 171.A N ASN 88.A O no hydrogen 2.970 N/A ALA 172.A N ASN 160.A O no hydrogen 2.813 N/A ALA 177.A N PHE 174.A O no hydrogen 3.027 N/A ARG 178.A N ILE 152.A O no hydrogen 2.898 N/A ARG 178.A NH1 ALA 177.A O no hydrogen 2.753 N/A VAL 180.A N LYS 150.A O no hydrogen 3.053 N/A THR 184.A N ASN 181.A O no hydrogen 3.183 N/A THR 184.A OG1 ASN 181.A O no hydrogen 2.792 N/A ASN 185.A ND2 ALA 197.A O no hydrogen 2.911 N/A ASN 185.A ND2 VAL 202.A O no hydrogen 3.321 N/A GLY 186.A N THR 183.A O no hydrogen 2.924 N/A LEU 188.A N ASN 185.A O no hydrogen 3.447 N/A LYS 191.A NZ PRO 226.A O no hydrogen 3.130 N/A LYS 191.A NZ TYR 227.A O no hydrogen 3.028 N/A LYS 191.A NZ ILE 230.A O no hydrogen 2.828 N/A TRP 192.A N PRO 189.A O no hydrogen 3.160 N/A TRP 192.A NE1 GLU 218.A OE2 no hydrogen 2.890 N/A MET 193.A N VAL 190.A O no hydrogen 3.160 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.875 N/A ALA 197.A N ALA 194.A O no hydrogen 2.975 N/A LEU 198.A N PRO 195.A O no hydrogen 3.173 N/A PHE 199.A N PRO 195.A O no hydrogen 2.912 N/A ASP 200.A N GLU 196.A O no hydrogen 2.802 N/A ARG 201.A NH2 THR 184.A O no hydrogen 2.870 N/A TYR 203.A OH ASP 208.A OD1 no hydrogen 2.670 N/A THR 204.A N SER 207.A OG no hydrogen 3.094 N/A GLN 206.A N THR 204.A OG1 no hydrogen 3.066 N/A SER 207.A N THR 204.A O no hydrogen 2.900 N/A SER 207.A OG GLU 196.A OE2 no hydrogen 2.791 N/A ASP 208.A N THR 204.A O no hydrogen 3.400 N/A VAL 209.A N HIS 205.A O no hydrogen 3.045 N/A TRP 210.A N GLN 206.A O no hydrogen 3.348 N/A SER 211.A N SER 207.A O no hydrogen 3.398 N/A SER 211.A OG TRP 192.A O no hydrogen 2.652 N/A SER 211.A OG SER 207.A O no hydrogen 3.540 N/A PHE 212.A N ASP 208.A O no hydrogen 2.868 N/A GLY 213.A N VAL 209.A O no hydrogen 3.001 N/A VAL 214.A N TRP 210.A O no hydrogen 3.221 N/A LEU 215.A N SER 211.A O no hydrogen 2.854 N/A LEU 216.A N PHE 212.A O no hydrogen 2.739 N/A TRP 217.A N GLY 213.A O no hydrogen 3.114 N/A TRP 217.A NE1 ASP 246.A O no hydrogen 2.965 N/A GLU 218.A N VAL 214.A O no hydrogen 2.912 N/A ILE 219.A N LEU 215.A O no hydrogen 2.853 N/A PHE 220.A N LEU 216.A O no hydrogen 3.041 N/A THR 221.A N TRP 217.A O no hydrogen 3.021 N/A THR 221.A OG1 TRP 217.A O no hydrogen 2.947 N/A THR 221.A OG1 GLU 218.A O no hydrogen 3.199 N/A LEU 222.A N ILE 219.A O no hydrogen 2.957 N/A GLY 223.A N GLU 218.A O no hydrogen 2.743 N/A GLY 224.A N THR 221.A OG1 no hydrogen 2.879 N/A ILE 230.A N TYR 227.A O no hydrogen 3.009 N/A GLU 233.A N GLU 233.A OE2 no hydrogen 2.850 N/A GLU 234.A N PRO 231.A O no hydrogen 2.967 N/A LEU 235.A N VAL 232.A O no hydrogen 3.350 N/A LEU 238.A N GLU 234.A O no hydrogen 3.359 N/A LEU 239.A N LEU 235.A O no hydrogen 2.969 N/A LYS 240.A N PHE 236.A O no hydrogen 2.826 N/A GLU 241.A N LYS 237.A O no hydrogen 3.185 N/A GLY 242.A N LEU 239.A O no hydrogen 2.879 N/A HIS 243.A N LEU 238.A O no hydrogen 3.129 N/A ARG 244.A NE TRP 263.A O no hydrogen 2.942 N/A ARG 244.A NH1 LEU 239.A O no hydrogen 3.004 N/A ARG 244.A NH1 HIS 243.A O no hydrogen 2.784 N/A ARG 244.A NH2 TRP 263.A O no hydrogen 2.976 N/A LYS 247.A NZ PRO 248.A O no hydrogen 3.209 N/A LYS 247.A NZ CYS 251.A O no hydrogen 2.761 N/A ASN 250.A ND2 PHE 220.A O no hydrogen 3.275 N/A CYS 251.A N PRO 248.A O no hydrogen 3.006 N/A CYS 251.A SG THR 252.A O no hydrogen 3.469 N/A THR 252.A OG1 ASP 254.A OD1 no hydrogen 2.224 N/A LEU 255.A N ASP 254.A OD1 no hydrogen 2.906 N/A TYR 256.A N THR 252.A O no hydrogen 2.957 N/A TYR 256.A OH MET 245.A O no hydrogen 2.699 N/A MET 257.A N HIS 253.A O no hydrogen 2.881 N/A ILE 258.A N ASP 254.A O no hydrogen 3.265 N/A MET 259.A N LEU 255.A O no hydrogen 2.986 N/A ARG 260.A N TYR 256.A O no hydrogen 2.939 N/A ARG 260.A NH1 TYR 256.A OH no hydrogen 3.091 N/A GLU 261.A N MET 257.A O no hydrogen 3.003 N/A CYS 262.A N ILE 258.A O no hydrogen 3.116 N/A CYS 262.A SG ILE 258.A O no hydrogen 3.419 N/A TRP 263.A N ARG 260.A O no hydrogen 3.009 N/A HIS 264.A N GLU 261.A O no hydrogen 3.234 N/A GLN 269.A N ALA 266.A O no hydrogen 3.037 N/A ARG 270.A N PRO 267.A O no hydrogen 3.101 N/A ARG 270.A NE HIS 264.A O no hydrogen 2.838 N/A ARG 270.A NH1 GLU 196.A OE1 no hydrogen 3.515 N/A ARG 270.A NH1 GLU 196.A OE2 no hydrogen 2.877 N/A ARG 270.A NH1 GLN 206.A O no hydrogen 2.957 N/A ARG 270.A NH2 GLU 196.A OE1 no hydrogen 2.898 N/A ARG 270.A NH2 HIS 264.A O no hydrogen 3.076 N/A THR 272.A N GLN 275.A OE1 no hydrogen 2.934 N/A GLN 275.A N THR 272.A OG1 no hydrogen 3.079 N/A LEU 276.A N THR 272.A O no hydrogen 2.833 N/A VAL 277.A N PHE 273.A O no hydrogen 2.881 N/A GLU 278.A N LYS 274.A O no hydrogen 3.177 N/A ASP 279.A N GLN 275.A O no hydrogen 2.944 N/A LEU 280.A N LEU 276.A O no hydrogen 2.883 N/A ASP 281.A N VAL 277.A O no hydrogen 2.745 N/A ARG 282.A N GLU 278.A O no hydrogen 3.135 N/A VAL 283.A N ASP 279.A O no hydrogen 3.138 N/A LEU 284.A N LEU 280.A O no hydrogen 2.875 N/A THR 285.A N ASP 281.A O no hydrogen 2.927 N/A THR 285.A OG1 ASP 281.A O no hydrogen 2.824 N/A VAL 286.A N ARG 282.A O no hydrogen 3.062 N/A THR 287.A N VAL 283.A O no hydrogen 3.038 N/A THR 287.A OG1 VAL 283.A O no hydrogen 2.844 N/A SER 288.A OG THR 285.A O no hydrogen 3.485 N/A