Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kmm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 6.A N LEU 3.A O no hydrogen 3.230 N/A ILE 7.A N LEU 3.A O no hydrogen 3.391 N/A ILE 8.A N GLN 4.A O no hydrogen 3.131 N/A ILE 14.A N VAL 84.A O no hydrogen 2.816 N/A LYS 15.A NZ GLU 87.A OE2 no hydrogen 3.035 N/A ARG 16.A N GLU 87.A OE2 no hydrogen 3.394 N/A ARG 16.A NE GLU 87.A O no hydrogen 2.764 N/A ARG 16.A NH1 PRO 90.A O no hydrogen 3.305 N/A ARG 16.A NH2 GLU 87.A O no hydrogen 3.272 N/A ARG 16.A NH2 PRO 90.A O no hydrogen 2.758 N/A ASP 18.A N LYS 15.A O no hydrogen 3.049 N/A ILE 19.A N ARG 16.A O no hydrogen 3.225 N/A VAL 20.A N GLU 37.A O no hydrogen 2.798 N/A LYS 22.A N LEU 35.A O no hydrogen 2.779 N/A TRP 23.A N LEU 35.A O no hydrogen 3.366 N/A LEU 25.A N VAL 33.A O no hydrogen 2.806 N/A GLY 26.A N VAL 33.A O no hydrogen 3.378 N/A GLY 28.A N GLY 31.A O no hydrogen 2.870 N/A ALA 29.A N ASP 178.A OD2 no hydrogen 2.903 N/A VAL 33.A N GLY 26.A O no hydrogen 2.889 N/A PHE 34.A N VAL 52.A O no hydrogen 2.949 N/A LEU 35.A N TRP 23.A O no hydrogen 2.775 N/A ALA 36.A N VAL 50.A O no hydrogen 3.083 N/A GLU 37.A N VAL 20.A O no hydrogen 2.796 N/A CYS 38.A N MET 48.A O no hydrogen 2.781 N/A CYS 38.A SG ASP 18.A O no hydrogen 3.720 N/A HIS 39.A N ASP 18.A O no hydrogen 2.756 N/A ASN 40.A N ASP 46.A O no hydrogen 3.073 N/A LYS 47.A N GLN 45.A O no hydrogen 2.807 N/A MET 48.A N CYS 38.A O no hydrogen 3.198 N/A VAL 50.A N ALA 36.A O no hydrogen 3.014 N/A ALA 51.A N PHE 95.A O no hydrogen 2.928 N/A VAL 52.A N PHE 34.A O no hydrogen 2.809 N/A LYS 53.A N MET 93.A O no hydrogen 2.901 N/A ALA 54.A N LYS 32.A O no hydrogen 2.844 N/A LEU 55.A N LEU 91.A O no hydrogen 2.903 N/A LYS 56.A N PHE 30.A O no hydrogen 3.469 N/A LYS 56.A NZ ALA 29.A O no hydrogen 2.974 N/A ASP 62.A N SER 58.A O no hydrogen 2.818 N/A PHE 63.A N ALA 59.A O no hydrogen 2.859 N/A GLN 64.A N ARG 60.A O no hydrogen 3.230 N/A ARG 65.A N GLN 61.A O no hydrogen 3.029 N/A GLU 66.A N ASP 62.A O no hydrogen 2.795 N/A ALA 67.A N PHE 63.A O no hydrogen 2.783 N/A GLU 68.A N GLN 64.A O no hydrogen 2.802 N/A LEU 69.A N ARG 65.A O no hydrogen 3.005 N/A LEU 70.A N GLU 66.A O no hydrogen 2.817 N/A THR 71.A N ALA 67.A O no hydrogen 2.908 N/A THR 71.A OG1 ALA 67.A O no hydrogen 2.687 N/A MET 72.A N GLU 68.A O no hydrogen 3.292 N/A MET 72.A N LEU 69.A O no hydrogen 3.247 N/A LEU 73.A N LEU 69.A O no hydrogen 3.075 N/A GLN 74.A N TYR 144.A OH no hydrogen 2.887 N/A GLN 74.A NE2 PHE 81.A O no hydrogen 3.491 N/A GLN 76.A N GLN 76.A OE1 no hydrogen 2.807 N/A HIS 77.A N HIS 75.A ND1 no hydrogen 2.988 N/A HIS 77.A ND1 VAL 168.A O no hydrogen 3.072 N/A ILE 78.A N HIS 75.A O no hydrogen 3.351 N/A VAL 79.A N ILE 170.A O no hydrogen 2.835 N/A ARG 80.A N GLU 96.A OE2 no hydrogen 2.886 N/A PHE 82.A N VAL 94.A O no hydrogen 2.805 N/A VAL 84.A N HIS 12.A O no hydrogen 3.071 N/A CYS 85.A N LEU 92.A O no hydrogen 2.910 N/A CYS 85.A SG ILE 14.A O no hydrogen 3.705 N/A THR 86.A OG1 HIS 13.A ND1 no hydrogen 3.165 N/A LEU 92.A N CYS 85.A O no hydrogen 3.128 N/A MET 93.A N LYS 53.A O no hydrogen 2.891 N/A VAL 94.A N GLY 83.A O no hydrogen 2.816 N/A PHE 95.A N ALA 51.A O no hydrogen 2.862 N/A GLU 96.A N ARG 80.A O no hydrogen 2.964 N/A HIS 100.A N VAL 162.A O no hydrogen 2.924 N/A HIS 100.A NE2 ASP 120.A OD2 no hydrogen 2.925 N/A GLY 101.A N MET 98.A O no hydrogen 2.998 N/A LEU 103.A N CYS 160.A O no hydrogen 2.850 N/A ASN 104.A N THR 157.A O no hydrogen 3.245 N/A ASN 104.A ND2 THR 157.A OG1 no hydrogen 3.220 N/A ASN 104.A ND2 GLY 228.A O no hydrogen 2.796 N/A ARG 105.A N ASP 102.A OD2 no hydrogen 3.046 N/A PHE 106.A N ASP 102.A O no hydrogen 3.091 N/A LEU 107.A N LEU 103.A O no hydrogen 2.899 N/A ARG 108.A N ASN 104.A O no hydrogen 3.018 N/A ARG 108.A NE ASN 104.A OD1 no hydrogen 2.834 N/A SER 109.A N ARG 105.A O no hydrogen 3.195 N/A SER 109.A OG ARG 105.A O no hydrogen 3.175 N/A SER 109.A OG PHE 106.A O no hydrogen 2.984 N/A SER 109.A OG HIS 110.A ND1 no hydrogen 2.974 N/A HIS 110.A N LEU 107.A O no hydrogen 3.189 N/A HIS 110.A ND1 PHE 106.A O no hydrogen 2.753 N/A ALA 114.A N GLY 111.A O no hydrogen 3.062 N/A LEU 126.A N HIS 110.A O no hydrogen 3.278 N/A GLY 127.A N GLN 130.A OE1 no hydrogen 2.981 N/A LEU 131.A N GLY 127.A O no hydrogen 2.898 N/A LEU 132.A N LEU 128.A O no hydrogen 2.998 N/A ALA 133.A N GLY 129.A O no hydrogen 3.248 N/A VAL 134.A N GLN 130.A O no hydrogen 3.452 N/A ALA 135.A N LEU 131.A O no hydrogen 3.237 N/A SER 136.A N LEU 132.A O no hydrogen 3.071 N/A GLN 137.A N ALA 133.A O no hydrogen 3.239 N/A GLN 137.A NE2 ALA 133.A O no hydrogen 3.419 N/A GLN 137.A NE2 LEU 166.A O no hydrogen 3.134 N/A VAL 138.A N VAL 134.A O no hydrogen 3.309 N/A ALA 139.A N ALA 135.A O no hydrogen 3.034 N/A ALA 140.A N SER 136.A O no hydrogen 2.968 N/A GLY 141.A N GLN 137.A O no hydrogen 3.189 N/A MET 142.A N VAL 138.A O no hydrogen 3.044 N/A VAL 143.A N ALA 139.A O no hydrogen 2.896 N/A TYR 144.A N ALA 140.A O no hydrogen 3.232 N/A LEU 145.A N GLY 141.A O no hydrogen 3.121 N/A ALA 146.A N MET 142.A O no hydrogen 2.948 N/A GLY 147.A N VAL 143.A O no hydrogen 2.816 N/A LEU 148.A N TYR 144.A O no hydrogen 3.034 N/A LEU 148.A N LEU 145.A O no hydrogen 3.153 N/A HIS 149.A N ALA 146.A O no hydrogen 3.006 N/A PHE 150.A N LEU 145.A O no hydrogen 2.773 N/A HIS 152.A N ASP 213.A OD2 no hydrogen 2.738 N/A ARG 153.A N ASP 213.A OD1 no hydrogen 3.282 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 2.908 N/A THR 157.A N GLU 223.A OE1 no hydrogen 3.066 N/A THR 157.A OG1 GLU 223.A OE2 no hydrogen 2.825 N/A ARG 158.A NE TYR 184.A OH no hydrogen 2.849 N/A ARG 158.A NH2 ASP 154.A OD1 no hydrogen 2.890 N/A ASN 159.A N ALA 156.A O no hydrogen 2.945 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.816 N/A CYS 160.A N THR 157.A O no hydrogen 3.251 N/A CYS 160.A SG ALA 156.A O no hydrogen 3.688 N/A LEU 161.A N LYS 169.A O no hydrogen 2.750 N/A VAL 162.A N GLY 101.A O no hydrogen 2.893 N/A GLY 163.A N VAL 167.A O no hydrogen 2.916 N/A GLN 164.A NE2 GLU 119.A OE2 no hydrogen 3.303 N/A GLN 164.A NE2 ASP 120.A OD1 no hydrogen 3.163 N/A GLN 164.A NE2 ASP 120.A OD2 no hydrogen 3.134 N/A GLY 165.A N ASP 120.A OD2 no hydrogen 2.806 N/A VAL 168.A N GLN 137.A OE1 no hydrogen 2.804 N/A LYS 169.A N LEU 161.A O no hydrogen 2.980 N/A LYS 169.A NZ GLU 96.A OE1 no hydrogen 3.442 N/A LYS 169.A NZ GLU 96.A OE2 no hydrogen 2.806 N/A ILE 170.A N HIS 77.A O no hydrogen 2.920 N/A GLY 171.A N ASN 159.A O no hydrogen 2.923 N/A GLY 174.A N ASP 172.A OD2 no hydrogen 2.920 N/A SER 176.A OG ASN 159.A OD1 no hydrogen 2.569 N/A ARG 177.A NE MET 192.A O no hydrogen 3.183 N/A ARG 177.A NH2 MET 192.A O no hydrogen 3.106 N/A ASP 178.A N MET 175.A O no hydrogen 3.052 N/A ILE 179.A N MET 175.A O no hydrogen 2.894 N/A TYR 180.A N SER 176.A O no hydrogen 2.718 N/A TYR 180.A OH ASP 102.A OD1 no hydrogen 2.630 N/A ASP 183.A N TYR 180.A O no hydrogen 2.923 N/A TYR 184.A N SER 181.A O no hydrogen 3.113 N/A TYR 184.A OH ASP 154.A OD1 no hydrogen 3.400 N/A TYR 184.A OH ASP 154.A OD2 no hydrogen 2.619 N/A TYR 185.A N LEU 193.A O no hydrogen 2.872 N/A ARG 186.A NH1 GLY 189.A O no hydrogen 3.017 N/A VAL 187.A N THR 191.A O no hydrogen 3.010 N/A LEU 193.A N TYR 185.A O no hydrogen 2.836 N/A ILE 195.A N LEU 193.A O no hydrogen 2.810 N/A ARG 196.A NH1 PRO 231.A O no hydrogen 3.433 N/A ARG 196.A NH1 LEU 235.A O no hydrogen 3.238 N/A ARG 196.A NH2 LEU 235.A O no hydrogen 2.953 N/A ARG 196.A NH2 ASN 237.A OD1 no hydrogen 3.184 N/A TRP 197.A N PRO 194.A O no hydrogen 2.989 N/A TRP 197.A NE1 GLU 223.A OE1 no hydrogen 2.801 N/A MET 198.A N ILE 195.A O no hydrogen 3.186 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 3.068 N/A SER 202.A N PRO 199.A O no hydrogen 3.161 N/A SER 202.A OG LYS 207.A O no hydrogen 2.562 N/A ILE 203.A N PRO 199.A O no hydrogen 3.273 N/A LEU 204.A N PRO 200.A O no hydrogen 2.828 N/A TYR 205.A N GLU 201.A O no hydrogen 2.940 N/A LYS 207.A N GLU 201.A O no hydrogen 3.276 N/A THR 209.A N SER 212.A OG no hydrogen 2.781 N/A SER 212.A N THR 209.A O no hydrogen 3.262 N/A SER 212.A OG THR 209.A O no hydrogen 2.718 N/A ASP 213.A N THR 209.A O no hydrogen 3.362 N/A VAL 214.A N THR 210.A O no hydrogen 3.277 N/A TRP 215.A N GLU 211.A O no hydrogen 3.361 N/A SER 216.A N SER 212.A O no hydrogen 3.188 N/A SER 216.A OG TRP 197.A O no hydrogen 2.673 N/A SER 216.A OG SER 212.A O no hydrogen 3.261 N/A PHE 217.A N ASP 213.A O no hydrogen 2.831 N/A GLY 218.A N VAL 214.A O no hydrogen 3.014 N/A VAL 219.A N TRP 215.A O no hydrogen 3.126 N/A VAL 220.A N SER 216.A O no hydrogen 2.795 N/A LEU 221.A N PHE 217.A O no hydrogen 2.784 N/A TRP 222.A N GLY 218.A O no hydrogen 3.213 N/A TRP 222.A NE1 GLU 251.A O no hydrogen 2.892 N/A GLU 223.A N VAL 219.A O no hydrogen 2.837 N/A ILE 224.A N VAL 220.A O no hydrogen 2.894 N/A PHE 225.A N LEU 221.A O no hydrogen 3.084 N/A THR 226.A N GLU 223.A O no hydrogen 3.131 N/A THR 226.A OG1 TRP 222.A O no hydrogen 2.872 N/A THR 226.A OG1 GLU 223.A O no hydrogen 3.169 N/A TYR 227.A N ILE 224.A O no hydrogen 3.169 N/A TYR 227.A OH LEU 126.A O no hydrogen 2.646 N/A GLY 228.A N GLU 223.A O no hydrogen 2.736 N/A LYS 229.A NZ TYR 233.A OH no hydrogen 3.461 N/A GLN 230.A NE2 THR 182.A O no hydrogen 3.019 N/A GLN 230.A NE2 ASP 183.A OD1 no hydrogen 2.846 N/A TYR 233.A N GLN 230.A O no hydrogen 3.206 N/A GLN 234.A N GLN 234.A OE1 no hydrogen 2.793 N/A LEU 235.A N TRP 232.A O no hydrogen 2.771 N/A SER 236.A N GLU 239.A OE1 no hydrogen 3.011 N/A GLU 239.A N SER 236.A OG no hydrogen 3.139 N/A ALA 240.A N SER 236.A O no hydrogen 2.822 N/A ILE 241.A N ASN 237.A O no hydrogen 3.024 N/A ASP 242.A N THR 238.A O no hydrogen 2.960 N/A CYS 243.A N GLU 239.A O no hydrogen 2.993 N/A CYS 243.A SG GLU 239.A O no hydrogen 3.876 N/A ILE 244.A N ALA 240.A O no hydrogen 2.943 N/A THR 245.A N ILE 241.A O no hydrogen 2.908 N/A THR 245.A OG1 ILE 241.A O no hydrogen 2.875 N/A THR 245.A OG1 ASP 242.A O no hydrogen 2.962 N/A GLN 246.A N ASP 242.A O no hydrogen 2.955 N/A GLY 247.A N ILE 244.A O no hydrogen 3.338 N/A ARG 248.A N CYS 243.A O no hydrogen 3.051 N/A ARG 248.A NH2 GLU 251.A OE2 no hydrogen 3.244 N/A ARG 252.A NH1 CYS 256.A O no hydrogen 2.757 N/A CYS 256.A N PRO 253.A O no hydrogen 3.128 N/A CYS 256.A SG PRO 257.A O no hydrogen 3.689 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.861 N/A VAL 260.A N PRO 257.A O no hydrogen 2.786 N/A TYR 261.A N PRO 257.A O no hydrogen 3.211 N/A TYR 261.A OH LEU 250.A O no hydrogen 2.729 N/A ALA 262.A N PRO 258.A O no hydrogen 3.097 N/A ILE 263.A N VAL 260.A O no hydrogen 2.940 N/A MET 264.A N VAL 260.A O no hydrogen 3.233 N/A ARG 265.A N TYR 261.A O no hydrogen 2.929 N/A GLY 266.A N ALA 262.A O no hydrogen 3.209 N/A CYS 267.A N ILE 263.A O no hydrogen 3.163 N/A CYS 267.A N MET 264.A O no hydrogen 2.851 N/A CYS 267.A SG ILE 263.A O no hydrogen 3.385 N/A TRP 268.A N MET 264.A O no hydrogen 3.072 N/A TRP 268.A N ARG 265.A O no hydrogen 3.116 N/A ARG 270.A NH2 THR 245.A O no hydrogen 2.717 N/A GLN 274.A N GLU 271.A O no hydrogen 2.972 N/A ARG 275.A NE GLN 269.A O no hydrogen 2.747 N/A ARG 275.A NH1 GLU 201.A OE1 no hydrogen 3.268 N/A ARG 275.A NH1 GLU 201.A OE2 no hydrogen 2.811 N/A ARG 275.A NH1 GLU 211.A O no hydrogen 3.038 N/A ARG 275.A NH2 GLU 201.A OE1 no hydrogen 2.804 N/A ARG 275.A NH2 GLN 269.A O no hydrogen 3.193 N/A HIS 276.A N GLY 266.A O no hydrogen 3.216 N/A SER 277.A OG ASP 280.A OD1 no hydrogen 2.985 N/A ASP 280.A N SER 277.A OG no hydrogen 3.348 N/A VAL 281.A N SER 277.A O no hydrogen 2.990 N/A HIS 282.A N ILE 278.A O no hydrogen 2.917 N/A ALA 283.A N LYS 279.A O no hydrogen 3.296 N/A ARG 284.A N ASP 280.A O no hydrogen 2.857 N/A LEU 285.A N VAL 281.A O no hydrogen 3.008 N/A GLN 286.A N HIS 282.A O no hydrogen 2.794 N/A ALA 287.A N ALA 283.A O no hydrogen 3.430 N/A LEU 288.A N ARG 284.A O no hydrogen 3.415 N/A ALA 289.A N LEU 285.A O no hydrogen 2.796 N/A GLN 290.A N GLN 286.A O no hydrogen 2.914 N/A ALA 291.A N LEU 288.A O no hydrogen 3.380 N/A LEU 296.A N PRO 292.A O no hydrogen 3.072 N/A ASP 297.A N PRO 293.A O no hydrogen 2.851 N/A LEU 299.A N TYR 295.A O no hydrogen 3.296 N/A GLY 300.A N LEU 296.A O no hydrogen 3.340 N/A