Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kmk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 ASP 64.A OD1 no hydrogen 3.384 N/A HIS 6.A N GLY 2.A O no hydrogen 3.423 N/A ILE 7.A N LEU 3.A O no hydrogen 3.239 N/A ILE 8.A N GLN 4.A O no hydrogen 2.954 N/A ASN 10.A N HIS 6.A O no hydrogen 2.951 N/A ILE 16.A N VAL 86.A O no hydrogen 2.797 N/A LYS 17.A NZ GLU 89.A OE2 no hydrogen 3.236 N/A ARG 18.A N GLU 89.A OE2 no hydrogen 3.088 N/A ARG 18.A NE GLU 89.A O no hydrogen 2.747 N/A ARG 18.A NH1 PRO 92.A O no hydrogen 2.794 N/A ARG 18.A NH2 PRO 92.A O no hydrogen 2.779 N/A ASP 20.A N LYS 17.A O no hydrogen 2.823 N/A ILE 21.A N ARG 18.A O no hydrogen 3.083 N/A VAL 22.A N GLU 39.A O no hydrogen 2.788 N/A LYS 24.A N LEU 37.A O no hydrogen 2.797 N/A TRP 25.A N LEU 37.A O no hydrogen 3.443 N/A LEU 27.A N VAL 35.A O no hydrogen 2.796 N/A GLY 28.A N VAL 35.A O no hydrogen 3.386 N/A GLY 30.A N GLY 33.A O no hydrogen 3.056 N/A LYS 34.A N ALA 56.A O no hydrogen 3.320 N/A VAL 35.A N GLY 28.A O no hydrogen 2.805 N/A PHE 36.A N VAL 54.A O no hydrogen 2.870 N/A LEU 37.A N TRP 25.A O no hydrogen 2.790 N/A ALA 38.A N VAL 52.A O no hydrogen 2.994 N/A GLU 39.A N VAL 22.A O no hydrogen 2.760 N/A CYS 40.A N MET 50.A O no hydrogen 2.785 N/A CYS 40.A SG ASP 20.A O no hydrogen 3.606 N/A HIS 41.A N ASP 20.A O no hydrogen 2.922 N/A ASN 42.A N ASP 48.A O no hydrogen 3.003 N/A ASN 42.A ND2 ASP 20.A OD2 no hydrogen 3.377 N/A LYS 49.A N GLN 47.A O no hydrogen 2.783 N/A MET 50.A N CYS 40.A O no hydrogen 2.979 N/A VAL 52.A N ALA 38.A O no hydrogen 3.036 N/A ALA 53.A N PHE 97.A O no hydrogen 2.944 N/A VAL 54.A N PHE 36.A O no hydrogen 2.812 N/A LYS 55.A N MET 95.A O no hydrogen 2.892 N/A LYS 55.A NZ PHE 175.A O no hydrogen 2.787 N/A ALA 56.A N LYS 34.A O no hydrogen 2.877 N/A LEU 57.A N LEU 93.A O no hydrogen 3.021 N/A LYS 58.A N PHE 32.A O no hydrogen 3.366 N/A GLN 63.A N GLN 63.A OE1 no hydrogen 2.863 N/A PHE 65.A N ALA 61.A O no hydrogen 3.207 N/A GLN 66.A N ARG 62.A O no hydrogen 3.380 N/A ARG 67.A N GLN 63.A O no hydrogen 3.231 N/A GLU 68.A N ASP 64.A O no hydrogen 2.930 N/A ALA 69.A N PHE 65.A O no hydrogen 2.818 N/A GLU 70.A N GLN 66.A O no hydrogen 2.835 N/A LEU 71.A N ARG 67.A O no hydrogen 2.845 N/A LEU 72.A N GLU 68.A O no hydrogen 2.761 N/A THR 73.A N ALA 69.A O no hydrogen 2.952 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.666 N/A MET 74.A N GLU 70.A O no hydrogen 3.189 N/A LEU 75.A N LEU 71.A O no hydrogen 2.934 N/A GLN 76.A N TYR 146.A OH no hydrogen 2.852 N/A HIS 79.A N HIS 77.A ND1 no hydrogen 2.889 N/A HIS 79.A ND1 VAL 170.A O no hydrogen 2.984 N/A ILE 80.A N HIS 77.A O no hydrogen 3.223 N/A VAL 81.A N ILE 172.A O no hydrogen 2.857 N/A ARG 82.A N GLU 98.A OE2 no hydrogen 2.880 N/A PHE 83.A N GLN 76.A OE1 no hydrogen 3.472 N/A PHE 84.A N VAL 96.A O no hydrogen 2.760 N/A VAL 86.A N HIS 14.A O no hydrogen 2.992 N/A CYS 87.A N LEU 94.A O no hydrogen 3.003 N/A CYS 87.A SG ILE 16.A O no hydrogen 3.364 N/A THR 88.A OG1 HIS 15.A ND1 no hydrogen 3.180 N/A LEU 94.A N CYS 87.A O no hydrogen 3.205 N/A MET 95.A N LYS 55.A O no hydrogen 2.918 N/A VAL 96.A N GLY 85.A O no hydrogen 2.812 N/A PHE 97.A N ALA 53.A O no hydrogen 2.814 N/A GLU 98.A N ARG 82.A O no hydrogen 2.995 N/A HIS 102.A N VAL 164.A O no hydrogen 2.884 N/A HIS 102.A NE2 ASP 122.A OD2 no hydrogen 3.099 N/A GLY 103.A N MET 100.A O no hydrogen 2.958 N/A LEU 105.A N CYS 162.A O no hydrogen 2.895 N/A ASN 106.A N THR 159.A O no hydrogen 3.255 N/A ASN 106.A ND2 THR 159.A OG1 no hydrogen 3.164 N/A ASN 106.A ND2 GLY 230.A O no hydrogen 2.826 N/A ARG 107.A N ASP 104.A OD2 no hydrogen 2.837 N/A PHE 108.A N ASP 104.A O no hydrogen 3.213 N/A LEU 109.A N LEU 105.A O no hydrogen 2.876 N/A ARG 110.A N ASN 106.A O no hydrogen 3.168 N/A ARG 110.A NE ASN 106.A OD1 no hydrogen 2.833 N/A SER 111.A N ARG 107.A O no hydrogen 3.216 N/A SER 111.A OG ARG 107.A O no hydrogen 3.424 N/A SER 111.A OG PHE 108.A O no hydrogen 3.036 N/A HIS 112.A N LEU 109.A O no hydrogen 3.354 N/A HIS 112.A ND1 PHE 108.A O no hydrogen 2.920 N/A ALA 116.A N GLY 113.A O no hydrogen 3.035 N/A LEU 128.A N HIS 112.A O no hydrogen 3.070 N/A GLY 129.A N GLN 132.A OE1 no hydrogen 3.026 N/A LEU 133.A N GLY 129.A O no hydrogen 3.025 N/A LEU 134.A N LEU 130.A O no hydrogen 2.966 N/A ALA 135.A N GLY 131.A O no hydrogen 3.200 N/A VAL 136.A N GLN 132.A O no hydrogen 3.241 N/A ALA 137.A N LEU 133.A O no hydrogen 3.253 N/A SER 138.A N LEU 134.A O no hydrogen 3.020 N/A GLN 139.A N ALA 135.A O no hydrogen 3.195 N/A GLN 139.A NE2 ALA 135.A O no hydrogen 3.291 N/A GLN 139.A NE2 LEU 168.A O no hydrogen 3.336 N/A VAL 140.A N VAL 136.A O no hydrogen 3.346 N/A ALA 141.A N ALA 137.A O no hydrogen 3.066 N/A ALA 142.A N SER 138.A O no hydrogen 2.811 N/A GLY 143.A N GLN 139.A O no hydrogen 3.026 N/A MET 144.A N VAL 140.A O no hydrogen 2.986 N/A VAL 145.A N ALA 141.A O no hydrogen 2.858 N/A VAL 145.A N ALA 142.A O no hydrogen 3.204 N/A TYR 146.A N ALA 142.A O no hydrogen 3.186 N/A LEU 147.A N GLY 143.A O no hydrogen 3.168 N/A ALA 148.A N MET 144.A O no hydrogen 2.894 N/A GLY 149.A N VAL 145.A O no hydrogen 2.765 N/A LEU 150.A N TYR 146.A O no hydrogen 2.918 N/A HIS 151.A N ALA 148.A O no hydrogen 3.026 N/A PHE 152.A N LEU 147.A O no hydrogen 2.690 N/A HIS 154.A N ASP 215.A OD2 no hydrogen 2.777 N/A ARG 155.A N ASP 215.A OD1 no hydrogen 3.280 N/A ASP 156.A N HIS 154.A ND1 no hydrogen 3.014 N/A THR 159.A N GLU 225.A OE1 no hydrogen 3.092 N/A THR 159.A OG1 GLU 225.A OE2 no hydrogen 2.898 N/A ARG 160.A NE TYR 186.A OH no hydrogen 2.825 N/A ARG 160.A NH2 ASP 156.A OD1 no hydrogen 2.992 N/A ASN 161.A N ALA 158.A O no hydrogen 2.837 N/A ASN 161.A ND2 ASP 156.A O no hydrogen 2.816 N/A ASN 161.A ND2 ASP 156.A OD2 no hydrogen 3.102 N/A CYS 162.A N THR 159.A O no hydrogen 3.220 N/A CYS 162.A SG ALA 158.A O no hydrogen 3.692 N/A LEU 163.A N LYS 171.A O no hydrogen 2.779 N/A VAL 164.A N GLY 103.A O no hydrogen 2.793 N/A GLY 165.A N VAL 169.A O no hydrogen 2.773 N/A GLN 166.A NE2 GLU 121.A OE2 no hydrogen 3.443 N/A GLY 167.A N ASP 122.A OD2 no hydrogen 2.805 N/A VAL 170.A N GLN 139.A OE1 no hydrogen 2.938 N/A LYS 171.A N LEU 163.A O no hydrogen 2.944 N/A LYS 171.A NZ GLU 98.A OE2 no hydrogen 2.972 N/A ILE 172.A N HIS 79.A O no hydrogen 2.920 N/A GLY 173.A N ASN 161.A O no hydrogen 2.845 N/A GLY 176.A N ASP 174.A OD2 no hydrogen 2.970 N/A SER 178.A OG ASN 161.A OD1 no hydrogen 2.660 N/A ARG 179.A NE MET 194.A O no hydrogen 3.173 N/A ARG 179.A NH2 MET 194.A O no hydrogen 2.793 N/A ASP 180.A N MET 177.A O no hydrogen 3.100 N/A ILE 181.A N MET 177.A O no hydrogen 2.939 N/A TYR 182.A N SER 178.A O no hydrogen 2.737 N/A TYR 182.A OH ASP 104.A OD1 no hydrogen 2.624 N/A ASP 185.A N TYR 182.A O no hydrogen 2.999 N/A TYR 186.A N SER 183.A O no hydrogen 3.202 N/A TYR 186.A OH ASP 156.A OD2 no hydrogen 2.626 N/A TYR 187.A N LEU 195.A O no hydrogen 2.829 N/A VAL 189.A N THR 193.A O no hydrogen 3.201 N/A LEU 195.A N TYR 187.A O no hydrogen 2.986 N/A ILE 197.A N LEU 195.A O no hydrogen 2.817 N/A ARG 198.A NH1 PRO 233.A O no hydrogen 3.459 N/A ARG 198.A NH1 TRP 234.A O no hydrogen 2.730 N/A ARG 198.A NH1 LEU 237.A O no hydrogen 3.018 N/A ARG 198.A NH2 LEU 237.A O no hydrogen 2.824 N/A ARG 198.A NH2 ASN 239.A OD1 no hydrogen 3.315 N/A TRP 199.A N PRO 196.A O no hydrogen 3.067 N/A TRP 199.A NE1 GLU 225.A OE1 no hydrogen 2.805 N/A MET 200.A N ILE 197.A O no hydrogen 2.968 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.874 N/A SER 204.A N PRO 201.A O no hydrogen 3.153 N/A SER 204.A OG LYS 209.A O no hydrogen 2.622 N/A ILE 205.A N PRO 201.A O no hydrogen 3.203 N/A LEU 206.A N PRO 202.A O no hydrogen 2.719 N/A TYR 207.A N GLU 203.A O no hydrogen 2.873 N/A LYS 209.A N GLU 203.A O no hydrogen 3.331 N/A THR 211.A N SER 214.A OG no hydrogen 2.744 N/A THR 211.A OG1 GLU 213.A OE2 no hydrogen 3.534 N/A SER 214.A OG THR 211.A O no hydrogen 2.737 N/A ASP 215.A N THR 211.A O no hydrogen 3.253 N/A VAL 216.A N THR 212.A O no hydrogen 3.249 N/A TRP 217.A N GLU 213.A O no hydrogen 3.353 N/A SER 218.A N SER 214.A O no hydrogen 3.171 N/A SER 218.A OG TRP 199.A O no hydrogen 2.633 N/A SER 218.A OG SER 214.A O no hydrogen 3.463 N/A PHE 219.A N ASP 215.A O no hydrogen 3.047 N/A GLY 220.A N VAL 216.A O no hydrogen 2.954 N/A VAL 221.A N TRP 217.A O no hydrogen 3.160 N/A VAL 222.A N SER 218.A O no hydrogen 2.795 N/A LEU 223.A N PHE 219.A O no hydrogen 2.745 N/A TRP 224.A N GLY 220.A O no hydrogen 3.082 N/A TRP 224.A NE1 GLU 253.A O no hydrogen 2.922 N/A GLU 225.A N VAL 221.A O no hydrogen 2.889 N/A ILE 226.A N VAL 222.A O no hydrogen 2.926 N/A PHE 227.A N LEU 223.A O no hydrogen 3.179 N/A THR 228.A N GLU 225.A O no hydrogen 3.259 N/A THR 228.A OG1 TRP 224.A O no hydrogen 2.898 N/A THR 228.A OG1 GLU 225.A O no hydrogen 3.261 N/A TYR 229.A N ILE 226.A O no hydrogen 3.336 N/A TYR 229.A OH LEU 128.A O no hydrogen 2.650 N/A GLY 230.A N GLU 225.A O no hydrogen 2.741 N/A GLN 232.A NE2 THR 184.A O no hydrogen 3.103 N/A GLN 232.A NE2 ASP 185.A OD1 no hydrogen 2.829 N/A TYR 235.A N GLN 232.A O no hydrogen 3.229 N/A GLN 236.A N GLN 236.A OE1 no hydrogen 2.770 N/A LEU 237.A N TRP 234.A O no hydrogen 2.834 N/A SER 238.A N GLU 241.A OE1 no hydrogen 2.914 N/A SER 238.A OG THR 240.A OG1 no hydrogen 3.388 N/A THR 240.A OG1 SER 238.A OG no hydrogen 3.388 N/A GLU 241.A N SER 238.A OG no hydrogen 3.218 N/A ALA 242.A N SER 238.A O no hydrogen 2.794 N/A ILE 243.A N ASN 239.A O no hydrogen 2.930 N/A ASP 244.A N THR 240.A O no hydrogen 3.010 N/A CYS 245.A N GLU 241.A O no hydrogen 2.954 N/A CYS 245.A SG GLU 241.A O no hydrogen 3.652 N/A ILE 246.A N ALA 242.A O no hydrogen 3.033 N/A THR 247.A N ILE 243.A O no hydrogen 2.993 N/A THR 247.A OG1 ILE 243.A O no hydrogen 3.057 N/A THR 247.A OG1 ASP 244.A O no hydrogen 3.084 N/A GLY 249.A N ILE 246.A O no hydrogen 3.116 N/A ARG 250.A N CYS 245.A O no hydrogen 3.019 N/A ARG 254.A NH1 ARG 256.A O no hydrogen 3.543 N/A ARG 254.A NH1 CYS 258.A O no hydrogen 2.779 N/A CYS 258.A N PRO 255.A O no hydrogen 3.006 N/A CYS 258.A SG PRO 259.A O no hydrogen 3.520 N/A GLU 261.A N GLU 261.A OE1 no hydrogen 2.920 N/A VAL 262.A N PRO 259.A O no hydrogen 2.770 N/A TYR 263.A N PRO 259.A O no hydrogen 3.032 N/A TYR 263.A OH LEU 252.A O no hydrogen 2.709 N/A ALA 264.A N PRO 260.A O no hydrogen 3.112 N/A ILE 265.A N VAL 262.A O no hydrogen 3.080 N/A MET 266.A N VAL 262.A O no hydrogen 3.197 N/A ARG 267.A N TYR 263.A O no hydrogen 2.977 N/A GLY 268.A N ALA 264.A O no hydrogen 3.290 N/A CYS 269.A N MET 266.A O no hydrogen 2.944 N/A CYS 269.A SG ILE 265.A O no hydrogen 3.399 N/A TRP 270.A N MET 266.A O no hydrogen 3.137 N/A TRP 270.A N ARG 267.A O no hydrogen 3.108 N/A GLN 271.A NE2 ARG 267.A O no hydrogen 3.554 N/A GLN 276.A N GLU 273.A O no hydrogen 2.831 N/A ARG 277.A NE GLN 271.A O no hydrogen 2.820 N/A ARG 277.A NH1 GLU 203.A OE2 no hydrogen 2.906 N/A ARG 277.A NH1 GLU 213.A O no hydrogen 2.927 N/A ARG 277.A NH2 GLU 203.A OE1 no hydrogen 2.868 N/A ARG 277.A NH2 GLN 271.A O no hydrogen 3.433 N/A ARG 277.A NH2 ARG 272.A O no hydrogen 3.398 N/A HIS 278.A N GLY 268.A O no hydrogen 3.253 N/A VAL 283.A N SER 279.A O no hydrogen 3.132 N/A HIS 284.A N ILE 280.A O no hydrogen 2.817 N/A ALA 285.A N LYS 281.A O no hydrogen 2.789 N/A ARG 286.A N ASP 282.A O no hydrogen 2.785 N/A LEU 287.A N VAL 283.A O no hydrogen 3.022 N/A GLN 288.A N HIS 284.A O no hydrogen 2.711 N/A ALA 289.A N ALA 285.A O no hydrogen 3.487 N/A LEU 290.A N ARG 286.A O no hydrogen 3.312 N/A ALA 291.A N LEU 287.A O no hydrogen 2.816 N/A GLN 292.A N GLN 288.A O no hydrogen 2.760 N/A LEU 298.A N PRO 294.A O no hydrogen 2.978 N/A ASP 299.A N PRO 295.A O no hydrogen 2.882 N/A LEU 301.A N LEU 298.A O no hydrogen 3.150 N/A GLY 302.A N LEU 298.A O no hydrogen 3.460 N/A