Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bcj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A SG CYS 8.A O no hydrogen 3.950 N/A CYS 8.A N CYS 5.A O no hydrogen 3.293 N/A CYS 8.A SG ILE 79.A O no hydrogen 3.707 N/A VAL 11.A N ARG 81.A O no hydrogen 2.722 N/A LYS 13.A N GLU 10.A O no hydrogen 3.162 N/A LYS 13.A NZ ASP 9.A OD2 no hydrogen 3.070 N/A LYS 13.A NZ GLU 78.A OE1 no hydrogen 3.205 N/A LYS 13.A NZ GLU 78.A OE2 no hydrogen 2.734 N/A TYR 14.A N VAL 11.A O no hydrogen 2.830 N/A TYR 14.A OH GLU 78.A OE2 no hydrogen 2.456 N/A GLU 15.A N ARG 32.A O no hydrogen 2.781 N/A LYS 16.A NZ TYR 88.A OH no hydrogen 3.533 N/A LEU 17.A N LYS 30.A O no hydrogen 2.638 N/A GLY 21.A N VAL 28.A O no hydrogen 3.231 N/A PHE 25.A N GLN 22.A O no hydrogen 2.920 N/A PHE 29.A N LEU 42.A O no hydrogen 3.005 N/A LYS 30.A N ALA 18.A O no hydrogen 2.965 N/A ALA 31.A N VAL 40.A O no hydrogen 2.867 N/A ARG 32.A N GLU 15.A O no hydrogen 2.833 N/A HIS 33.A N GLN 38.A O no hydrogen 2.756 N/A ARG 34.A N LYS 13.A O no hydrogen 2.902 N/A ARG 34.A NE SER 12.A O no hydrogen 2.643 N/A LYS 35.A N HIS 33.A ND1 no hydrogen 2.881 N/A THR 36.A N HIS 33.A ND1 no hydrogen 3.128 N/A GLY 37.A N HIS 33.A O no hydrogen 2.996 N/A GLN 38.A N THR 36.A OG1 no hydrogen 3.232 N/A LYS 39.A NZ GLY 37.A O no hydrogen 3.055 N/A VAL 40.A N ALA 31.A O no hydrogen 2.836 N/A ALA 41.A N PHE 91.A O no hydrogen 2.754 N/A LEU 42.A N PHE 29.A O no hydrogen 2.926 N/A LYS 43.A N LEU 89.A O no hydrogen 2.955 N/A VAL 45.A N ILE 87.A O no hydrogen 2.774 N/A LEU 59.A N PRO 55.A O no hydrogen 3.176 N/A ARG 60.A N ILE 56.A O no hydrogen 2.907 N/A ARG 60.A NH2 GLY 157.A O no hydrogen 3.250 N/A GLU 61.A N THR 57.A O no hydrogen 3.125 N/A ILE 62.A N ALA 58.A O no hydrogen 2.898 N/A LYS 63.A N LEU 59.A O no hydrogen 2.893 N/A ILE 64.A N ARG 60.A O no hydrogen 2.945 N/A LEU 65.A N GLU 61.A O no hydrogen 2.766 N/A GLN 66.A N ILE 62.A O no hydrogen 2.981 N/A LEU 67.A N LYS 63.A O no hydrogen 3.170 N/A LEU 68.A N ILE 64.A O no hydrogen 2.940 N/A LYS 69.A N TYR 127.A OH no hydrogen 2.813 N/A LYS 69.A NZ LEU 65.A O no hydrogen 3.540 N/A LYS 69.A NZ ASN 75.A OD1 no hydrogen 3.207 N/A LYS 69.A NZ LEU 76.A O no hydrogen 3.394 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 2.887 N/A ASN 72.A ND2 LEU 151.A O no hydrogen 3.010 N/A VAL 73.A N HIS 70.A O no hydrogen 2.741 N/A VAL 74.A N LEU 153.A O no hydrogen 3.012 N/A ASN 75.A ND2 ASP 92.A OD2 no hydrogen 2.684 N/A ILE 77.A N VAL 90.A O no hydrogen 2.672 N/A CYS 80.A N TYR 88.A O no hydrogen 2.838 N/A ARG 81.A N ASP 9.A O no hydrogen 3.012 N/A ARG 81.A NE CYS 8.A O no hydrogen 3.109 N/A ARG 81.A NH2 CYS 8.A O no hydrogen 3.119 N/A SER 86.A OG GLY 85.A O no hydrogen 3.201 N/A TYR 88.A N CYS 80.A O no hydrogen 2.815 N/A LEU 89.A N LYS 43.A O no hydrogen 2.804 N/A VAL 90.A N GLU 78.A O no hydrogen 2.941 N/A PHE 91.A N ALA 41.A O no hydrogen 2.824 N/A ASP 92.A N ASN 75.A O no hydrogen 3.188 N/A HIS 96.A N ILE 145.A O no hydrogen 2.965 N/A LEU 98.A N VAL 143.A O no hydrogen 2.742 N/A GLY 100.A N ASP 97.A OD1 no hydrogen 3.160 N/A LEU 101.A N ASP 97.A O no hydrogen 3.339 N/A LEU 101.A N LEU 98.A O no hydrogen 3.186 N/A LEU 102.A N LEU 98.A O no hydrogen 2.958 N/A SER 103.A N ALA 99.A O no hydrogen 3.066 N/A SER 103.A OG ALA 99.A O no hydrogen 3.399 N/A SER 103.A OG GLY 100.A O no hydrogen 3.069 N/A ASN 104.A N GLY 100.A O no hydrogen 3.260 N/A LEU 106.A N ASN 104.A OD1 no hydrogen 2.772 N/A THR 110.A N GLU 113.A OE1 no hydrogen 2.919 N/A THR 110.A OG1 GLU 113.A OE1 no hydrogen 3.301 N/A SER 112.A OG MET 303.A O no hydrogen 2.875 N/A GLU 113.A N THR 110.A O no hydrogen 3.145 N/A GLU 113.A N THR 110.A OG1 no hydrogen 3.080 N/A ILE 114.A N THR 110.A O no hydrogen 3.066 N/A LYS 115.A N LEU 111.A O no hydrogen 3.059 N/A LYS 115.A NZ SER 300.A O no hydrogen 3.002 N/A LYS 115.A NZ SER 300.A OG no hydrogen 3.366 N/A LYS 115.A NZ PRO 302.A O no hydrogen 2.850 N/A ARG 116.A N SER 112.A O no hydrogen 3.411 N/A VAL 117.A N GLU 113.A O no hydrogen 3.075 N/A MET 118.A N ILE 114.A O no hydrogen 3.043 N/A GLN 119.A N LYS 115.A O no hydrogen 2.996 N/A MET 120.A N ARG 116.A O no hydrogen 2.907 N/A LEU 121.A N VAL 117.A O no hydrogen 2.934 N/A LEU 122.A N MET 118.A O no hydrogen 2.880 N/A ASN 123.A N GLN 119.A O no hydrogen 2.927 N/A ASN 123.A ND2 ASN 72.A OD1 no hydrogen 3.468 N/A GLY 124.A N MET 120.A O no hydrogen 2.898 N/A LEU 125.A N LEU 121.A O no hydrogen 2.971 N/A TYR 126.A N LEU 122.A O no hydrogen 2.921 N/A TYR 127.A N ASN 123.A O no hydrogen 2.972 N/A ILE 128.A N GLY 124.A O no hydrogen 3.036 N/A HIS 129.A N LEU 125.A O no hydrogen 3.127 N/A HIS 129.A NE2 ASP 194.A OD2 no hydrogen 2.942 N/A ARG 130.A N TYR 126.A O no hydrogen 3.022 N/A ASN 131.A N TYR 127.A O no hydrogen 3.169 N/A ASN 131.A N ILE 128.A O no hydrogen 2.992 N/A ASN 131.A ND2 TYR 127.A O no hydrogen 3.267 N/A LYS 132.A N HIS 129.A O no hydrogen 2.813 N/A ILE 133.A N ILE 128.A O no hydrogen 2.935 N/A LEU 134.A N ARG 160.A O no hydrogen 2.873 N/A HIS 135.A N ASP 194.A OD2 no hydrogen 2.947 N/A HIS 135.A NE2 ALA 154.A O no hydrogen 2.943 N/A ARG 136.A N ASP 194.A OD1 no hydrogen 3.138 N/A ARG 136.A NE LEU 158.A O no hydrogen 2.901 N/A ARG 136.A NH1 TYR 189.A OH no hydrogen 2.961 N/A ARG 136.A NH2 LEU 158.A O no hydrogen 3.050 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 2.819 N/A ASN 142.A N LYS 139.A O no hydrogen 2.894 N/A ASN 142.A ND2 ASP 137.A O no hydrogen 2.583 N/A ASN 142.A ND2 ASP 137.A OD2 no hydrogen 3.072 N/A VAL 143.A N ALA 140.A O no hydrogen 3.146 N/A LEU 144.A N LYS 152.A O no hydrogen 2.774 N/A ILE 145.A N HIS 96.A O no hydrogen 2.823 N/A THR 146.A N VAL 150.A O no hydrogen 2.835 N/A THR 146.A OG1 VAL 150.A O no hydrogen 3.409 N/A GLY 149.A N THR 146.A O no hydrogen 2.691 N/A VAL 150.A N THR 146.A OG1 no hydrogen 3.093 N/A LYS 152.A N LEU 144.A O no hydrogen 2.672 N/A LYS 152.A NZ GLU 71.A O no hydrogen 2.582 N/A LEU 153.A N ASN 72.A O no hydrogen 2.819 N/A ALA 154.A N ASN 142.A O no hydrogen 2.883 N/A GLY 157.A N ASP 155.A OD1 no hydrogen 3.287 N/A ALA 159.A N PHE 156.A O no hydrogen 2.967 N/A ARG 160.A N LEU 134.A O no hydrogen 3.043 N/A PHE 162.A N LYS 132.A O no hydrogen 2.868 N/A SER 163.A N TYR 169.A OH no hydrogen 3.106 N/A ASN 167.A ND2 SER 163.A O no hydrogen 3.355 N/A TYR 169.A N ARG 187.A O no hydrogen 2.686 N/A ASN 170.A ND2 LEU 182.A O no hydrogen 2.861 N/A VAL 172.A N ASN 170.A O no hydrogen 2.555 N/A THR 174.A OG1 ASP 137.A OD1 no hydrogen 3.437 N/A TRP 176.A NE1 GLY 214.A O no hydrogen 3.122 N/A TYR 177.A N THR 174.A O no hydrogen 3.118 N/A TYR 177.A OH GLU 204.A OE1 no hydrogen 2.784 N/A TYR 177.A OH GLU 204.A OE2 no hydrogen 3.090 N/A ARG 178.A N LEU 175.A O no hydrogen 3.187 N/A ARG 178.A NE VAL 172.A O no hydrogen 2.960 N/A ARG 178.A NE VAL 173.A O no hydrogen 3.367 N/A ARG 178.A NH1 GLU 217.A OE2 no hydrogen 3.419 N/A ARG 178.A NH2 VAL 172.A O no hydrogen 3.539 N/A ARG 178.A NH2 VAL 173.A O no hydrogen 2.852 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.954 N/A LEU 182.A N PRO 179.A O no hydrogen 3.243 N/A LEU 183.A N PRO 179.A O no hydrogen 3.507 N/A LEU 184.A N PRO 180.A O no hydrogen 2.994 N/A LEU 184.A N GLU 181.A O no hydrogen 3.202 N/A GLY 185.A N LEU 182.A O no hydrogen 2.771 N/A GLU 186.A N GLU 181.A O no hydrogen 2.983 N/A ARG 187.A N GLU 186.A OE2 no hydrogen 3.237 N/A ASP 188.A N GLU 186.A OE2 no hydrogen 2.590 N/A ILE 193.A N GLY 190.A O no hydrogen 2.920 N/A ASP 194.A N PRO 191.A O no hydrogen 2.966 N/A LEU 195.A N PRO 192.A O no hydrogen 3.241 N/A TRP 196.A N PRO 192.A O no hydrogen 3.305 N/A GLY 197.A N ILE 193.A O no hydrogen 3.429 N/A ALA 198.A N ASP 194.A O no hydrogen 2.951 N/A GLY 199.A N LEU 195.A O no hydrogen 2.901 N/A CYS 200.A N TRP 196.A O no hydrogen 3.271 N/A CYS 200.A SG TRP 176.A O no hydrogen 3.936 N/A CYS 200.A SG TRP 196.A O no hydrogen 3.510 N/A ILE 201.A N GLY 197.A O no hydrogen 3.048 N/A MET 202.A N ALA 198.A O no hydrogen 2.770 N/A ALA 203.A N GLY 199.A O no hydrogen 3.049 N/A GLU 204.A N CYS 200.A O no hydrogen 3.078 N/A MET 205.A N MET 202.A O no hydrogen 2.895 N/A TRP 206.A N ALA 203.A O no hydrogen 3.041 N/A THR 207.A N ALA 203.A O no hydrogen 3.031 N/A THR 207.A OG1 ALA 203.A O no hydrogen 3.309 N/A THR 207.A OG1 SER 209.A O no hydrogen 2.902 N/A ARG 208.A N GLU 204.A O no hydrogen 2.884 N/A ARG 208.A NH1 LEU 102.A O no hydrogen 3.347 N/A ARG 208.A NH1 ASN 104.A O no hydrogen 2.754 N/A ARG 208.A NH2 VAL 107.A O no hydrogen 2.633 N/A GLN 213.A NE2 PRO 210.A O no hydrogen 2.731 N/A ASN 215.A N HIS 219.A ND1 no hydrogen 2.881 N/A HIS 219.A N THR 216.A OG1 no hydrogen 3.384 N/A GLN 220.A N THR 216.A O no hydrogen 2.724 N/A LEU 221.A N GLU 217.A O no hydrogen 2.928 N/A ALA 222.A N GLN 218.A O no hydrogen 3.035 N/A LEU 223.A N HIS 219.A O no hydrogen 3.009 N/A ILE 224.A N GLN 220.A O no hydrogen 3.008 N/A SER 225.A N LEU 221.A O no hydrogen 3.106 N/A SER 225.A OG LEU 221.A O no hydrogen 3.546 N/A SER 225.A OG GLY 229.A O no hydrogen 3.503 N/A GLN 226.A N ALA 222.A O no hydrogen 3.076 N/A LEU 227.A N ILE 224.A O no hydrogen 3.130 N/A CYS 228.A N ILE 224.A O no hydrogen 2.735 N/A CYS 228.A SG LEU 279.A O no hydrogen 3.701 N/A GLY 229.A N SER 225.A O no hydrogen 3.104 N/A SER 230.A N GLN 254.A O no hydrogen 3.281 N/A SER 230.A OG GLN 254.A O no hydrogen 3.212 N/A THR 232.A OG1 SER 230.A O no hydrogen 3.312 N/A TRP 236.A N THR 232.A O no hydrogen 2.501 N/A VAL 239.A N TRP 236.A O no hydrogen 2.985 N/A ASN 241.A N VAL 239.A O no hydrogen 2.796 N/A TYR 242.A N VAL 239.A O no hydrogen 3.462 N/A TYR 245.A N TYR 242.A O no hydrogen 3.366 N/A LYS 252.A NZ GLU 249.A OE2 no hydrogen 2.831 N/A LYS 257.A N LEU 227.A O no hydrogen 2.750 N/A LYS 259.A NZ ASP 273.A OD1 no hydrogen 3.503 N/A ARG 261.A N LYS 257.A O no hydrogen 2.693 N/A LYS 263.A N LYS 259.A O no hydrogen 2.763 N/A VAL 266.A N LEU 262.A O no hydrogen 3.031 N/A LEU 272.A N ASP 268.A O no hydrogen 3.048 N/A ASP 273.A N PRO 269.A O no hydrogen 2.987 N/A LEU 274.A N TYR 270.A O no hydrogen 2.904 N/A ILE 275.A N ALA 271.A O no hydrogen 3.014 N/A ASP 276.A N LEU 272.A O no hydrogen 2.992 N/A LYS 277.A N ASP 273.A O no hydrogen 3.080 N/A LYS 277.A NZ ASP 273.A OD2 no hydrogen 3.119 N/A LEU 278.A N LEU 274.A O no hydrogen 3.072 N/A LEU 278.A N ILE 275.A O no hydrogen 2.970 N/A LEU 279.A N ILE 275.A O no hydrogen 2.890 N/A ALA 284.A N ASP 282.A OD1 no hydrogen 2.844 N/A GLN 285.A N ASP 282.A O no hydrogen 2.773 N/A GLN 285.A NE2 VAL 235.A O no hydrogen 3.332 N/A GLN 285.A NE2 ASP 282.A OD2 no hydrogen 2.480 N/A ARG 286.A N PRO 283.A O no hydrogen 3.379 N/A ARG 286.A NE VAL 280.A O no hydrogen 3.019 N/A ARG 286.A NH1 GLU 181.A OE1 no hydrogen 3.400 N/A ARG 286.A NH1 GLU 181.A OE2 no hydrogen 2.986 N/A ARG 286.A NH1 PRO 192.A O no hydrogen 2.721 N/A ARG 286.A NH2 GLU 181.A OE1 no hydrogen 3.155 N/A ARG 286.A NH2 VAL 280.A O no hydrogen 3.063 N/A ARG 286.A NH2 LEU 281.A O no hydrogen 2.952 N/A ILE 287.A N LYS 277.A O no hydrogen 3.232 N/A ASP 291.A N ASP 288.A OD1 no hydrogen 3.243 N/A ALA 292.A N ASP 288.A O no hydrogen 2.947 N/A LEU 293.A N SER 289.A O no hydrogen 2.942 N/A ASN 294.A N ASP 291.A O no hydrogen 3.128 N/A HIS 295.A N ALA 292.A O no hydrogen 3.041 N/A HIS 295.A NE2 ASP 273.A OD2 no hydrogen 2.818 N/A PHE 297.A N HIS 295.A ND1 no hydrogen 2.906 N/A PHE 298.A N HIS 295.A O no hydrogen 2.815 N/A TRP 299.A N ASP 296.A O no hydrogen 2.975 N/A TRP 299.A NE1 LEU 293.A O no hydrogen 3.036 N/A SER 300.A OG ASP 296.A O no hydrogen 2.969 N/A SER 305.A N SER 112.A O no hydrogen 3.060 N/A SER 305.A OG SER 112.A OG no hydrogen 2.886 N/A SER 305.A OG ASP 306.A O no hydrogen 3.298 N/A