Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n42_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 ASP 56.A O no hydrogen 2.692 N/A TYR 5.A N ASN 3.A OD1 no hydrogen 3.350 N/A LYS 6.A N ASN 3.A O no hydrogen 3.459 N/A ALA 7.A N VAL 4.A O no hydrogen 3.337 N/A THR 8.A N VAL 4.A O no hydrogen 3.430 N/A THR 8.A OG1 VAL 4.A O no hydrogen 3.551 N/A TYR 11.A N SER 47.A O no hydrogen 3.078 N/A TYR 11.A OH GLU 31.A OE2 no hydrogen 2.768 N/A ALA 13.A N SER 26.A O no hydrogen 3.172 N/A CYS 15.A N CYS 24.A O no hydrogen 3.210 N/A CYS 15.A SG ASP 17.A O no hydrogen 3.339 N/A CYS 18.A N HIS 22.A O no hydrogen 2.893 N/A GLY 19.A N ASP 17.A OD2 no hydrogen 2.989 N/A GLY 21.A N ASP 17.A OD2 no hydrogen 3.017 N/A HIS 22.A N GLY 19.A O no hydrogen 3.466 N/A CYS 24.A N CYS 15.A O no hydrogen 3.273 N/A SER 26.A N ALA 13.A O no hydrogen 2.930 N/A VAL 28.A N SER 26.A OG no hydrogen 3.109 N/A GLU 31.A N GLN 45.A O no hydrogen 2.954 N/A ARG 34.A N LYS 43.A O no hydrogen 2.780 N/A ARG 34.A NE GLU 36.A OE1 no hydrogen 3.023 N/A ARG 34.A NE GLU 36.A OE2 no hydrogen 3.090 N/A ARG 34.A NH1 GLU 161.A OE1 no hydrogen 2.705 N/A ARG 34.A NH2 GLU 36.A OE1 no hydrogen 2.997 N/A ARG 34.A NH2 GLU 161.A OE1 no hydrogen 3.346 N/A ARG 34.A NH2 GLU 161.A OE2 no hydrogen 2.936 N/A GLU 36.A N TYR 152.A OH no hydrogen 3.178 N/A THR 38.A N SER 150.A OG no hydrogen 3.076 N/A THR 38.A OG1 SER 150.A OG no hydrogen 3.422 N/A ASP 39.A N SER 150.A O no hydrogen 3.321 N/A GLY 40.A N ALA 37.A O no hydrogen 3.307 N/A THR 41.A N ASP 39.A OD1 no hydrogen 3.364 N/A THR 41.A OG1 ASP 39.A OD1 no hydrogen 3.012 N/A THR 41.A OG1 ASP 39.A OD2 no hydrogen 3.002 N/A LEU 42.A N ALA 99.A O no hydrogen 2.950 N/A LYS 43.A N ARG 34.A O no hydrogen 2.918 N/A LYS 43.A NZ GLU 161.A OE1 no hydrogen 2.719 N/A LYS 43.A NZ PRO 254.A O no hydrogen 2.901 N/A LYS 43.A NZ PHE 255.A O no hydrogen 2.778 N/A ILE 44.A N ILE 97.A O no hydrogen 2.855 N/A GLN 45.A N ARG 32.A O no hydrogen 2.823 N/A VAL 46.A N HIS 95.A O no hydrogen 2.768 N/A SER 47.A N ALA 29.A O no hydrogen 2.915 N/A SER 47.A OG TYR 11.A O no hydrogen 2.333 N/A GLN 49.A N ARG 64.A O no hydrogen 2.866 N/A GLN 49.A NE2 THR 8.A OG1 no hydrogen 3.241 N/A GLN 49.A NE2 HIS 95.A NE2 no hydrogen 3.179 N/A ILE 50.A N GLY 94.A O no hydrogen 2.807 N/A GLY 51.A N LYS 62.A O no hydrogen 2.985 N/A LYS 53.A N SER 57.A O no hydrogen 2.894 N/A THR 54.A OG1 ASP 73.A OD1 no hydrogen 2.919 N/A ASP 56.A N LYS 53.A O no hydrogen 3.002 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.808 N/A HIS 58.A NE2 ASN 3.A OD1 no hydrogen 2.816 N/A ASP 59.A N GLY 51.A O no hydrogen 2.822 N/A THR 61.A N ASP 59.A OD1 no hydrogen 3.332 N/A THR 61.A OG1 ASP 59.A OD1 no hydrogen 2.647 N/A LYS 62.A N ASP 59.A O no hydrogen 3.039 N/A LYS 62.A NZ THR 61.A OG1 no hydrogen 3.410 N/A LYS 62.A NZ GLU 75.A OE1 no hydrogen 3.501 N/A LYS 62.A NZ GLU 75.A OE2 no hydrogen 3.203 N/A LEU 63.A N ALA 74.A O no hydrogen 2.744 N/A ARG 64.A N GLN 49.A O no hydrogen 2.782 N/A ARG 64.A NE GLN 49.A OE1 no hydrogen 2.903 N/A ARG 64.A NH1 LYS 53.A O no hydrogen 3.064 N/A ARG 64.A NH1 ASP 56.A OD1 no hydrogen 2.885 N/A ARG 64.A NH2 TYR 5.A O no hydrogen 2.769 N/A ARG 64.A NH2 GLN 49.A OE1 no hydrogen 2.757 N/A TYR 65.A N ALA 72.A O no hydrogen 3.101 N/A ASP 67.A N MET 70.A O no hydrogen 2.997 N/A MET 70.A N ASP 67.A O no hydrogen 3.307 N/A ALA 72.A N TYR 65.A O no hydrogen 2.824 N/A ALA 74.A N LEU 63.A O no hydrogen 2.714 N/A ARG 76.A N THR 61.A O no hydrogen 3.044 N/A ARG 76.A NE THR 92.A OG1 no hydrogen 3.074 N/A ARG 76.A NH1 ARG 76.A O no hydrogen 2.945 N/A LEU 79.A N ARG 76.A O no hydrogen 3.116 N/A PHE 80.A N GLY 110.A O no hydrogen 2.876 N/A ARG 82.A N THR 108.A O no hydrogen 2.837 N/A THR 83.A N ALA 85.A O no hydrogen 3.124 N/A THR 83.A OG1 PRO 102.A O no hydrogen 3.041 N/A SER 84.A OG LYS 103.A O no hydrogen 2.636 N/A CYS 87.A N VAL 81.A O no hydrogen 2.793 N/A THR 88.A N ARG 100.A O no hydrogen 2.977 N/A THR 88.A OG1 ARG 100.A O no hydrogen 3.080 N/A THR 90.A N LEU 98.A O no hydrogen 2.791 N/A MET 93.A N PHE 96.A O no hydrogen 3.219 N/A GLY 94.A N ILE 50.A O no hydrogen 2.802 N/A HIS 95.A ND1 VAL 46.A O no hydrogen 2.802 N/A PHE 96.A N MET 93.A O no hydrogen 3.151 N/A ILE 97.A N ILE 44.A O no hydrogen 2.930 N/A LEU 98.A N GLY 91.A O no hydrogen 2.725 N/A ALA 99.A N LEU 42.A O no hydrogen 3.107 N/A ARG 100.A N THR 88.A O no hydrogen 2.919 N/A ARG 100.A NH1 ASP 39.A O no hydrogen 3.043 N/A ARG 100.A NH2 ASP 39.A O no hydrogen 2.821 N/A GLY 104.A N HIS 127.A O no hydrogen 2.891 N/A LEU 107.A N HIS 123.A O no hydrogen 2.880 N/A THR 108.A N ARG 82.A O no hydrogen 2.739 N/A THR 108.A OG1 THR 122.A OG1 no hydrogen 2.761 N/A VAL 109.A N CYS 121.A O no hydrogen 3.238 N/A GLY 110.A N PHE 80.A O no hydrogen 2.876 N/A PHE 111.A N HIS 119.A O no hydrogen 2.989 N/A SER 114.A OG ASP 73.A O no hydrogen 3.443 N/A HIS 119.A N PHE 111.A O no hydrogen 3.012 N/A HIS 119.A NE2 ASP 113.A OD2 no hydrogen 2.749 N/A CYS 121.A N VAL 109.A O no hydrogen 3.013 N/A THR 122.A N ASP 17.A O no hydrogen 2.798 N/A THR 122.A OG1 THR 108.A OG1 no hydrogen 2.761 N/A HIS 123.A N LEU 107.A O no hydrogen 3.038 N/A PHE 125.A N GLU 105.A O no hydrogen 2.970 N/A HIS 126.A ND1 GLU 105.A OE1 no hydrogen 3.227 N/A HIS 126.A ND1 GLU 105.A OE2 no hydrogen 2.881 N/A HIS 127.A N GLY 104.A O no hydrogen 2.924 N/A HIS 127.A NE2 CYS 101.A O no hydrogen 2.867 N/A ARG 134.A N ASN 328.A OD1 no hydrogen 2.814 N/A ARG 134.A NE GLY 327.A O no hydrogen 2.930 N/A ARG 134.A NH2 SER 292.A OG no hydrogen 2.781 N/A ARG 134.A NH2 THR 325.A O no hydrogen 3.009 N/A LYS 136.A N PRO 288.A O no hydrogen 3.089 N/A PHE 137.A N GLU 135.A O no hydrogen 3.251 N/A LYS 145.A N VAL 264.A O no hydrogen 2.941 N/A LEU 147.A N CYS 262.A O no hydrogen 3.311 N/A CYS 149.A N VAL 260.A O no hydrogen 3.211 N/A SER 150.A N THR 38.A OG1 no hydrogen 2.861 N/A SER 150.A OG GLU 36.A O no hydrogen 3.448 N/A SER 150.A OG THR 38.A OG1 no hydrogen 3.422 N/A THR 151.A N ALA 258.A O no hydrogen 3.188 N/A THR 151.A OG1 ASP 39.A OD1 no hydrogen 3.280 N/A THR 151.A OG1 ASP 39.A OD2 no hydrogen 2.863 N/A TYR 152.A OH GLU 36.A OE1 no hydrogen 2.811 N/A VAL 153.A N PRO 256.A O no hydrogen 3.254 N/A ILE 163.A N ILE 251.A O no hydrogen 3.085 N/A VAL 165.A N GLY 249.A O no hydrogen 2.753 N/A HIS 166.A N GLN 232.A O no hydrogen 2.798 N/A HIS 166.A ND1 MET 167.A O no hydrogen 3.072 N/A HIS 166.A NE2 ASN 234.A OD1 no hydrogen 2.857 N/A THR 171.A N VAL 225.A O no hydrogen 2.928 N/A THR 171.A OG1 ASN 227.A OD1 no hydrogen 3.383 N/A ASP 173.A N ALA 223.A O no hydrogen 3.025 N/A ARG 174.A NH1 CYS 221.A O no hydrogen 2.899 N/A ARG 174.A NH2 CYS 221.A O no hydrogen 3.423 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 2.723 N/A THR 175.A OG1 ASP 173.A OD2 no hydrogen 3.012 N/A MET 177.A N ARG 174.A O no hydrogen 3.323 N/A SER 178.A N LYS 185.A O no hydrogen 2.900 N/A SER 178.A OG LYS 185.A O no hydrogen 3.452 N/A ASN 183.A ND2 GLN 180.A O no hydrogen 3.088 N/A VAL 184.A N ILE 213.A O no hydrogen 2.896 N/A LYS 185.A N SER 178.A O no hydrogen 2.758 N/A ILE 186.A N LYS 211.A O no hydrogen 2.892 N/A THR 187.A N LEU 176.A O no hydrogen 2.976 N/A VAL 188.A N ASP 210.A OD1 no hydrogen 2.810 N/A GLN 191.A N VAL 188.A O no hydrogen 3.278 N/A VAL 193.A N THR 207.A O no hydrogen 3.049 N/A ARG 194.A N ALA 224.A O no hydrogen 2.768 N/A ARG 194.A NE ASP 170.A OD1 no hydrogen 3.053 N/A TYR 195.A N GLY 205.A O no hydrogen 3.390 N/A LYS 196.A N HIS 222.A O no hydrogen 2.907 N/A ASN 198.A N GLN 220.A O no hydrogen 2.870 N/A CYS 199.A SG ASN 215.A O no hydrogen 3.765 N/A ASN 203.A ND2 CYS 199.A O no hydrogen 2.855 N/A THR 207.A N VAL 193.A O no hydrogen 2.941 N/A THR 207.A OG1 THR 209.A O no hydrogen 2.808 N/A THR 209.A N THR 207.A OG1 no hydrogen 3.353 N/A LYS 211.A N ILE 186.A O no hydrogen 3.198 N/A LYS 211.A NZ THR 207.A OG1 no hydrogen 3.224 N/A ILE 213.A N VAL 184.A O no hydrogen 2.740 N/A ASN 215.A N ASN 183.A OD1 no hydrogen 2.750 N/A LYS 217.A N GLN 220.A OE1 no hydrogen 3.406 N/A GLN 220.A N LYS 217.A O no hydrogen 3.129 N/A CYS 221.A N VAL 218.A O no hydrogen 3.474 N/A CYS 221.A SG LYS 217.A O no hydrogen 3.942 N/A HIS 222.A N LYS 196.A O no hydrogen 2.754 N/A ALA 224.A N ARG 194.A O no hydrogen 2.956 N/A VAL 225.A N THR 171.A O no hydrogen 2.856 N/A THR 226.A N THR 192.A O no hydrogen 2.745 N/A THR 226.A OG1 THR 192.A O no hydrogen 3.444 N/A LYS 230.A NZ LYS 6.A O no hydrogen 2.343 N/A TRP 231.A N ALA 7.A O no hydrogen 2.704 N/A GLN 232.A N HIS 166.A O no hydrogen 2.785 N/A ASN 234.A N GLU 164.A O no hydrogen 2.806 N/A ASN 234.A ND2 GLU 164.A OE1 no hydrogen 3.022 N/A SER 235.A N TYR 233.A O no hydrogen 2.686 N/A SER 235.A OG GLU 31.A OE1 no hydrogen 3.130 N/A SER 235.A OG GLU 31.A OE2 no hydrogen 2.686 N/A LEU 237.A N SER 235.A OG no hydrogen 3.097 N/A VAL 238.A N SER 235.A O no hydrogen 3.359 N/A ASN 241.A ND2 PRO 168.A O no hydrogen 2.934 N/A GLU 243.A N ASN 241.A OD1 no hydrogen 3.298 N/A GLY 249.A N VAL 165.A O no hydrogen 2.611 N/A ILE 251.A N ILE 163.A O no hydrogen 3.129 N/A HIS 252.A ND1 GLU 161.A O no hydrogen 3.122 N/A ILE 253.A N GLU 161.A O no hydrogen 3.021 N/A LEU 257.A N GLU 161.A OE2 no hydrogen 3.221 N/A ALA 258.A N THR 151.A O no hydrogen 3.059 N/A VAL 260.A N CYS 149.A O no hydrogen 2.724 N/A CYS 262.A N LEU 147.A O no hydrogen 3.026 N/A VAL 264.A N LYS 145.A O no hydrogen 3.212 N/A ALA 267.A N GLU 135.A OE2 no hydrogen 3.040 N/A THR 273.A N ILE 280.A O no hydrogen 3.010 N/A THR 273.A OG1 ILE 280.A O no hydrogen 3.233 N/A GLY 275.A N GLN 278.A O no hydrogen 2.995 N/A GLN 278.A N GLY 275.A O no hydrogen 3.385 N/A VAL 279.A N LEU 315.A O no hydrogen 2.716 N/A ILE 280.A N THR 273.A O no hydrogen 2.852 N/A MET 281.A N VAL 313.A O no hydrogen 3.015 N/A LEU 282.A N THR 271.A O no hydrogen 3.363 N/A LEU 283.A N LYS 311.A O no hydrogen 3.015 N/A HIS 287.A NE2 GLU 135.A OE1 no hydrogen 2.814 N/A THR 289.A N VAL 307.A O no hydrogen 2.937 N/A THR 289.A OG1 HIS 287.A O no hydrogen 2.838 N/A LEU 290.A N ARG 134.A O no hydrogen 3.168 N/A LEU 291.A N GLU 305.A O no hydrogen 2.917 N/A SER 292.A N THR 325.A O no hydrogen 2.955 N/A TYR 293.A N GLN 303.A O no hydrogen 3.140 N/A ARG 294.A N GLU 323.A O no hydrogen 3.028 N/A ARG 294.A NE GLU 323.A OE1 no hydrogen 2.809 N/A ARG 294.A NH2 GLU 323.A OE2 no hydrogen 3.170 N/A ASN 295.A N PRO 300.A O no hydrogen 2.747 N/A ASN 295.A ND2 GLU 299.A O no hydrogen 3.138 N/A MET 296.A N GLY 321.A O no hydrogen 2.751 N/A GLN 303.A N TYR 293.A O no hydrogen 3.256 N/A GLU 305.A N LEU 291.A O no hydrogen 2.997 N/A VAL 307.A N THR 289.A O no hydrogen 2.765 N/A LYS 311.A N LEU 283.A O no hydrogen 3.237 N/A LYS 311.A NZ GLU 305.A OE1 no hydrogen 2.710 N/A VAL 313.A N MET 281.A O no hydrogen 2.926 N/A LEU 315.A N VAL 279.A O no hydrogen 2.878 N/A VAL 317.A N ASN 277.A O no hydrogen 2.758 N/A THR 319.A OG1 GLU 320.A OE1 no hydrogen 3.139 N/A GLU 320.A N GLU 320.A OE1 no hydrogen 2.879 N/A GLY 321.A N PRO 318.A O no hydrogen 2.922 N/A LEU 322.A N TYR 334.A O no hydrogen 2.836 N/A GLU 323.A N ARG 294.A O no hydrogen 2.897 N/A VAL 324.A N TYR 332.A O no hydrogen 2.764 N/A THR 325.A N SER 292.A O no hydrogen 2.780 N/A TRP 326.A NE1 ARG 268.A O no hydrogen 3.214 N/A GLY 327.A N LEU 290.A O no hydrogen 2.820 N/A ASN 328.A N GLU 135.A OE2 no hydrogen 2.789 N/A ASN 328.A ND2 PRO 265.A O no hydrogen 2.820 N/A ASN 329.A N TRP 326.A O no hydrogen 3.429 N/A ASN 329.A ND2 ALA 267.A O no hydrogen 2.692 N/A ASN 329.A ND2 TRP 326.A O no hydrogen 2.770 N/A TYR 332.A N VAL 324.A O no hydrogen 2.690 N/A TYR 332.A OH ASN 269.A OD1 no hydrogen 2.798 N/A TYR 334.A N LEU 322.A O no hydrogen 2.771 N/A