Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mkw_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A N GLU 2C.A O no hydrogen 3.458 N/A CYS 5.A SG GLU 2C.A O no hydrogen 3.689 N/A GLY 6.A N PRO 149.A O no hydrogen 2.970 N/A ARG 8.A N GLU 12.A OE1 no hydrogen 3.048 N/A ARG 8.A NE GLU 12.A OE1 no hydrogen 2.922 N/A ARG 8.A NE GLU 12.A OE2 no hydrogen 3.345 N/A ARG 8.A NH1 ASP 18.A OD2 no hydrogen 3.017 N/A ARG 8.A NH1 LEU 43.A O no hydrogen 3.076 N/A ARG 8.A NH2 GLU 12.A OE2 no hydrogen 2.743 N/A ARG 8.A NH2 ASP 18.A OD2 no hydrogen 2.763 N/A PHE 11.A N ARG 8.A O no hydrogen 3.314 N/A LYS 13.A N ARG 8.A O no hydrogen 2.912 N/A LYS 13.A NZ LEU 7.A O no hydrogen 2.490 N/A LYS 14.A N PHE 11.A O no hydrogen 2.655 N/A GLN 15.A N GLU 12.A O no hydrogen 3.307 N/A VAL 16.A N PHE 11.A O no hydrogen 2.890 N/A ASP 18.A N GLU 21C.A OE2 no hydrogen 2.787 N/A GLN 37.A N VAL 194.A O no hydrogen 3.318 N/A ALA 39.A N LEU 192.A O no hydrogen 3.038 N/A LEU 43.A N GLU 40.A O no hydrogen 3.178 N/A SER 44.A OG GLN 47.A OE1 no hydrogen 3.160 N/A GLN 47.A N SER 44.A O no hydrogen 2.872 N/A VAL 48.A N ALA 62.A O no hydrogen 3.059 N/A MET 49.A N ARG 94.A O no hydrogen 2.847 N/A LEU 50.A N CYS 60.A O no hydrogen 2.973 N/A PHE 51.A N LEU 92.A O no hydrogen 2.689 N/A ARG 52.A N GLU 57.A O no hydrogen 2.823 N/A LYS 53.A N ASP 90.A O no hydrogen 2.767 N/A LYS 53.A NZ ASP 89.A O no hydrogen 2.663 N/A LEU 59.A N LEU 50.A O no hydrogen 2.753 N/A CYS 60.A N LEU 50.A O no hydrogen 3.426 N/A CYS 60.A SG LEU 59.A O no hydrogen 3.153 N/A GLY 61.A N SER 237.A O no hydrogen 2.832 N/A ALA 62.A N VAL 48.A O no hydrogen 2.898 N/A SER 63.A N LEU 71.A O no hydrogen 2.937 N/A SER 63.A OG GLN 253.A OE1 no hydrogen 3.565 N/A LEU 64.A N TRP 46.A O no hydrogen 2.605 N/A ILE 65.A N TRP 69.A O no hydrogen 3.402 N/A ARG 68.A N SER 66.A OG no hydrogen 3.114 N/A ARG 68.A NE ASP 67.A OD1 no hydrogen 3.419 N/A TRP 69.A N SER 66.A OG no hydrogen 2.997 N/A VAL 70.A N LEU 135.A O no hydrogen 3.041 N/A LEU 71.A N SER 63.A O no hydrogen 2.855 N/A THR 72.A N ALA 133.A O no hydrogen 2.939 N/A THR 72.A OG1 GLY 61.A O no hydrogen 3.111 N/A HIS 75.A N ASP 131.A OD1 no hydrogen 2.991 N/A HIS 75.A ND1 ASP 131.A OD1 no hydrogen 3.101 N/A HIS 75.A ND1 ASP 131.A OD2 no hydrogen 2.683 N/A HIS 75.A NE2 SER 237.A OG no hydrogen 2.527 N/A CYS 76.A N ALA 73.A O no hydrogen 3.115 N/A CYS 76.A SG HIS 75.A NE2 no hydrogen 3.940 N/A CYS 76.A SG SER 237.A O no hydrogen 3.844 N/A LEU 77.A N ALA 74.A O no hydrogen 2.886 N/A LEU 78.A N ALA 74.A O no hydrogen 2.884 N/A ASP 89.A N THR 87I.A OG1 no hydrogen 3.355 N/A ASP 90.A N THR 87I.A O no hydrogen 2.950 N/A LEU 92.A N PHE 51.A O no hydrogen 2.946 N/A VAL 93.A N SER 111.A O no hydrogen 2.921 N/A ARG 94.A N MET 49.A O no hydrogen 2.850 N/A ARG 94.A NE GLU 108.A OE1 no hydrogen 3.252 N/A ARG 94.A NE GLU 108.A OE2 no hydrogen 3.057 N/A ARG 94.A NH2 GLU 108.A OE1 no hydrogen 3.189 N/A ILE 95.A N LYS 109.A O no hydrogen 2.859 N/A LYS 97.A NZ SER 99.A O no hydrogen 3.385 N/A LYS 97.A NZ ARG 102.A O no hydrogen 3.026 N/A SER 99.A OG SER 190.A O no hydrogen 3.116 N/A ARG 100.A N SER 190.A O no hydrogen 2.785 N/A THR 101.A OG1 ARG 100.A O no hydrogen 2.499 N/A ARG 102.A N ARG 100.A O no hydrogen 2.645 N/A ARG 102.A NE THR 101.A OG1 no hydrogen 3.311 N/A VAL 107.A N GLU 104.A O no hydrogen 3.133 N/A GLU 108.A N GLU 104.A O no hydrogen 2.767 N/A LYS 109.A N ILE 95.A O no hydrogen 2.716 N/A SER 111.A N VAL 93.A O no hydrogen 2.942 N/A SER 111.A OG MET 112.A O no hydrogen 3.528 N/A ASP 114.A N LYS 136.A O no hydrogen 2.940 N/A TYR 117.A N LEU 134.A O no hydrogen 3.003 N/A HIS 119.A N ILE 132.A O no hydrogen 3.022 N/A ARG 121.A N HIS 119.A ND1 no hydrogen 2.693 N/A TYR 122.A N HIS 119.A O no hydrogen 2.899 N/A TYR 122.A OH LEU 78.A O no hydrogen 2.785 N/A ASN 123.A N ASP 129.A O no hydrogen 2.790 N/A ASN 127.A N ASN 123.A O no hydrogen 3.324 N/A ASN 127.A ND2 ARG 212.A O no hydrogen 2.756 N/A ASP 129.A N ASN 123.A O no hydrogen 3.281 N/A ARG 130.A NH2 ARG 121.A O no hydrogen 2.953 N/A ILE 132.A N ARG 130.A O no hydrogen 2.824 N/A ALA 133.A N THR 72.A O no hydrogen 2.799 N/A LEU 134.A N TYR 117.A O no hydrogen 2.858 N/A LEU 135.A N VAL 70.A O no hydrogen 2.887 N/A LYS 136.A N LYS 115.A O no hydrogen 3.066 N/A LEU 137.A N ARG 68.A O no hydrogen 2.805 N/A LYS 138.A N MET 112.A O no hydrogen 2.701 N/A LYS 138.A NZ ASP 114.A OD2 no hydrogen 3.306 N/A ILE 141.A N ASP 67.A O no hydrogen 2.793 N/A SER 144.A N ILE 147.A O no hydrogen 3.018 N/A TYR 146.A N SER 144.A OG no hydrogen 3.258 N/A ILE 147.A N SER 144.A O no hydrogen 3.100 N/A HIS 148.A N PRO 45.A O no hydrogen 2.778 N/A HIS 148.A NE2 ASP 4A.A O no hydrogen 2.571 N/A VAL 150.A N LEU 64.A O no hydrogen 2.934 N/A CYS 151.A N TRP 251.A O no hydrogen 3.251 N/A GLN 156.A N ASP 154.A OD1 no hydrogen 2.857 N/A THR 157.A N ASP 154.A OD1 no hydrogen 2.893 N/A THR 157.A OG1 ASP 154.A OD1 no hydrogen 3.171 N/A THR 157.A OG1 ASP 154.A OD2 no hydrogen 2.701 N/A ALA 158.A N ASP 154.A O no hydrogen 3.190 N/A LEU 162.A N ALA 158.A O no hydrogen 2.528 N/A GLY 165.A N LEU 199.A O no hydrogen 3.019 N/A PHE 166.A N HIS 163.A O no hydrogen 2.893 N/A LYS 167.A N SER 27I.A OG no hydrogen 3.053 N/A LYS 167.A NZ GLU 23E.A OE2 no hydrogen 2.830 N/A GLY 168.A N LEU 197.A O no hydrogen 2.836 N/A ARG 169.A N VAL 242.A O no hydrogen 2.622 N/A ARG 169.A NE ASN 196.A OD1 no hydrogen 2.876 N/A ARG 169.A NH1 ASP 18.A OD2 no hydrogen 3.264 N/A ARG 169.A NH2 ASP 18.A OD1 no hydrogen 3.128 N/A ARG 169.A NH2 ASP 18.A OD2 no hydrogen 3.504 N/A VAL 170.A N VAL 195.A O no hydrogen 2.721 N/A THR 171.A OG1 GLN 47.A OE1 no hydrogen 2.635 N/A GLY 172.A N GLN 193.A O no hydrogen 3.190 N/A TRP 173.A NE1 SER 190.A O no hydrogen 2.894 N/A ASN 175.A ND2 TRP 173.A O no hydrogen 3.460 N/A ARG 176.A NE GLY 260.A O no hydrogen 3.059 N/A ARG 176.A NE GLU 261.A O no hydrogen 3.239 N/A ARG 176.A NH2 GLU 261.A O no hydrogen 2.777 N/A ARG 177.A N GLU 178.A OE1 no hydrogen 3.248 N/A ARG 177.A N GLU 178.A OE2 no hydrogen 3.473 N/A SER 190.A OG GLN 188.A O no hydrogen 3.059 N/A LEU 192.A N HIS 98.A O no hydrogen 2.901 N/A VAL 194.A N GLN 37.A O no hydrogen 3.078 N/A VAL 195.A N VAL 170.A O no hydrogen 2.654 N/A ASN 196.A ND2 GLU 23E.A OE1 no hydrogen 3.173 N/A LEU 197.A N GLY 168.A O no hydrogen 2.990 N/A LEU 199.A N PHE 166.A O no hydrogen 2.909 N/A VAL 200.A N CYS 219.A O no hydrogen 3.129 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.626 N/A ARG 202.A NH1 THR 214.A O no hydrogen 2.848 N/A ARG 202.A NH2 THR 214.A O no hydrogen 2.865 N/A CYS 205.A N GLU 201.A O no hydrogen 2.995 N/A CYS 205.A SG VAL 200.A O no hydrogen 3.639 N/A CYS 205.A SG GLU 201.A O no hydrogen 3.632 N/A LYS 206.A N ARG 202.A O no hydrogen 2.692 N/A ALA 207.A N PRO 203.A O no hydrogen 2.702 N/A SER 208.A N VAL 204.A O no hydrogen 3.180 N/A SER 208.A N CYS 205.A O no hydrogen 3.330 N/A SER 208.A OG VAL 204.A O no hydrogen 3.443 N/A SER 208.A OG CYS 205.A O no hydrogen 2.772 N/A SER 208.A OG GLU 261.A OE2 no hydrogen 3.095 N/A THR 209.A N LYS 206.A O no hydrogen 3.270 N/A THR 209.A OG1 GLU 261.A OE1 no hydrogen 3.452 N/A ILE 211.A N THR 209.A OG1 no hydrogen 3.392 N/A THR 214.A OG1 ASP 129.A OD1 no hydrogen 2.651 N/A ASN 216.A N THR 214.A OG1 no hydrogen 3.217 N/A MET 217.A N THR 214.A O no hydrogen 3.268 N/A PHE 218.A N TYR 272.A O no hydrogen 3.059 N/A ALA 220.A N GLY 270.A O no hydrogen 3.010 N/A GLY 221.A N PRO 198.A O no hydrogen 2.825 N/A LYS 223.A NZ GLU 201.A OE1 no hydrogen 2.944 N/A LYS 223.A NZ GLU 201.A OE2 no hydrogen 3.108 N/A GLY 230.A N LYS 228D.A O no hydrogen 2.771 N/A CYS 233.A SG ASP 231.A OD2 no hydrogen 3.825 N/A SER 237.A OG HIS 75.A NE2 no hydrogen 2.527 N/A SER 237.A OG SER 258.A O no hydrogen 3.564 N/A GLY 238.A N VAL 257.A O no hydrogen 2.809 N/A GLY 239.A N ASP 236.A O no hydrogen 2.758 N/A PHE 241.A N GLY 255.A O no hydrogen 3.282 N/A VAL 242.A N ARG 169.A O no hydrogen 2.901 N/A MET 243.A N TYR 252.A O no hydrogen 2.845 N/A LYS 244.A NZ GLU 12.A OE2 no hydrogen 3.000 N/A LYS 244.A NZ ASN 249.A OD1 no hydrogen 3.101 N/A LYS 244.A NZ GLU 21C.A OE1 no hydrogen 2.728 N/A SER 245.A N ARG 250.A O no hydrogen 2.838 N/A ASN 249.A N SER 245.A O no hydrogen 3.000 N/A ARG 250.A NH1 CYS 5.A O no hydrogen 2.675 N/A ARG 250.A NH2 ASP 4A.A OD1 no hydrogen 3.554 N/A TRP 251.A N GLY 6.A O no hydrogen 3.032 N/A TRP 251.A NE1 GLU 12.A OE2 no hydrogen 2.748 N/A TYR 252.A N MET 243.A O no hydrogen 2.710 N/A TYR 252.A OH ASN 248B.A OD1 no hydrogen 3.050 N/A GLN 253.A N CYS 151.A O no hydrogen 2.722 N/A GLN 253.A NE2 GLY 255.A O no hydrogen 2.771 N/A MET 254.A N PHE 241.A O no hydrogen 2.627 N/A GLY 255.A N PHE 241.A O no hydrogen 2.957 N/A VAL 257.A N GLY 239.A O no hydrogen 2.938 N/A SER 258.A N PHE 271.A O no hydrogen 3.012 N/A SER 258.A OG ASP 131.A OD2 no hydrogen 2.577 N/A TRP 259.A N PHE 271.A O no hydrogen 3.378 N/A CYS 263.A SG ARG 176.A O no hydrogen 2.631 N/A LYS 268.A N ASP 266.A O no hydrogen 2.683 N/A LYS 268.A NZ SER 208.A O no hydrogen 3.318 N/A LYS 268.A NZ GLY 267.A O no hydrogen 2.785 N/A GLY 270.A N ALA 220.A O no hydrogen 3.145 N/A TYR 272.A N PHE 218.A O no hydrogen 2.890 N/A THR 273.A N ILE 256.A O no hydrogen 3.063 N/A THR 273.A OG1 ASP 131.A O no hydrogen 3.030 N/A HIS 274.A N ASN 216.A O no hydrogen 3.138 N/A VAL 275.A N MET 254.A O no hydrogen 3.212 N/A ARG 277.A N HIS 274.A ND1 no hydrogen 3.349 N/A ARG 277.A NE ASN 216.A OD1 no hydrogen 3.212 N/A ARG 277.A NH2 ASN 216.A OD1 no hydrogen 3.167 N/A LEU 278.A N VAL 275.A O no hydrogen 3.109 N/A LYS 279.A N PHE 276.A O no hydrogen 3.239 N/A LYS 279.A NZ PRO 153.A O no hydrogen 3.143 N/A ILE 282.A N LEU 278.A O no hydrogen 3.280 N/A GLN 283.A N LYS 279.A O no hydrogen 3.098 N/A LYS 284.A N LYS 280.A O no hydrogen 2.769 N/A VAL 285.A N TRP 281.A O no hydrogen 2.891 N/A ILE 286.A N ILE 282.A O no hydrogen 2.990 N/A ASP 287.A N GLN 283.A O no hydrogen 2.983 N/A GLN 19A.A N GLU 40.A OE2 no hydrogen 2.880 N/A GLN 19A.A NE2 GLU 40.A OE2 no hydrogen 3.299 N/A TYR 79A.A N LYS 84F.A O no hydrogen 3.087 N/A GLU 126A.A N ASN 123.A OD1 no hydrogen 2.943 N/A ALA 159A.A N LYS 155.A O no hydrogen 3.386 N/A THR 182A.A N TRP 180.A O no hydrogen 2.614 N/A TYR 222A.A OH ASN 196.A O no hydrogen 2.787 N/A ARG 265A.A N CYS 263.A O no hydrogen 2.652 N/A THR 20B.A N ASP 18.A OD1 no hydrogen 2.801 N/A LYS 160B.A N GLN 156.A O no hydrogen 2.745 N/A GLU 21C.A N ASP 18.A O no hydrogen 3.451 N/A GLU 21C.A N ASP 18.A OD1 no hydrogen 2.880 N/A LEU 161C.A N THR 157.A O no hydrogen 2.629 N/A TRP 82D.A N TYR 79A.A O no hydrogen 2.973 N/A GLU 23E.A N THR 20B.A O no hydrogen 2.960 N/A ASP 83E.A N PRO 80B.A O no hydrogen 2.592 N/A LEU 24F.A N GLU 21C.A O no hydrogen 3.042 N/A LYS 84F.A N TYR 79A.A O no hydrogen 3.266 N/A PHE 25G.A N GLU 21C.A O no hydrogen 3.265 N/A GLU 26H.A N LYS 22D.A O no hydrogen 3.007 N/A PHE 86H.A N LEU 77.A O no hydrogen 2.989 N/A SER 27I.A OG LEU 24F.A O no hydrogen 2.547 N/A THR 87I.A N ASP 90.A OD2 no hydrogen 2.868 N/A THR 87I.A OG1 ASP 90.A OD2 no hydrogen 3.428 N/A TYR 28J.A N PHE 25G.A O no hydrogen 2.893 N/A TYR 28J.A OH LYS 244.A O no hydrogen 3.034 N/A ILE 29K.A N PHE 25G.A O no hydrogen 3.280 N/A ILE 29K.A N GLU 26H.A O no hydrogen 2.545 N/A GLU 30L.A N SER 27I.A O no hydrogen 3.283 N/A