Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q2g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N SER 46.A O no hydrogen 2.926 N/A TYR 4.A N LEU 203.A O no hydrogen 2.791 N/A VAL 5.A N SER 48.A O no hydrogen 2.809 N/A GLU 6.A N ASP 96.A OD2 no hydrogen 3.288 N/A THR 7.A N VAL 50.A O no hydrogen 2.874 N/A THR 7.A OG1 VAL 5.A O no hydrogen 2.963 N/A THR 7.A OG1 VAL 50.A O no hydrogen 3.443 N/A MET 8.A N THR 97.A O no hydrogen 2.910 N/A LEU 9.A N LYS 53.A O no hydrogen 3.008 N/A VAL 10.A N ILE 99.A O no hydrogen 2.855 N/A ALA 11.A N LEU 55.A O no hydrogen 3.112 N/A ASP 12.A N PHE 101.A O no hydrogen 3.176 N/A SER 14.A OG ASP 12.A OD1 no hydrogen 2.853 N/A SER 14.A OG ASP 12.A OD2 no hydrogen 2.739 N/A SER 14.A OG THR 102.A OG1 no hydrogen 3.206 N/A MET 15.A N ASP 12.A O no hydrogen 2.895 N/A ALA 16.A N ASP 12.A O no hydrogen 3.205 N/A GLU 17.A N GLN 13.A O no hydrogen 3.048 N/A PHE 18.A N SER 14.A O no hydrogen 3.050 N/A HIS 19.A N MET 15.A O no hydrogen 2.806 N/A HIS 19.A NE2 ASP 135.A OD1 no hydrogen 2.884 N/A GLY 20.A N ALA 16.A O no hydrogen 2.838 N/A LEU 23.A N GLY 20.A O no hydrogen 2.984 N/A HIS 25.A NE2 SER 221.A OG no hydrogen 2.559 N/A TYR 26.A N GLY 22.A O no hydrogen 3.246 N/A TYR 26.A OH ASP 135.A OD2 no hydrogen 2.404 N/A LEU 27.A N LEU 23.A O no hydrogen 3.019 N/A LEU 28.A N LYS 24.A O no hydrogen 3.121 N/A THR 29.A N HIS 25.A O no hydrogen 2.868 N/A THR 29.A OG1 HIS 25.A O no hydrogen 2.700 N/A LEU 30.A N TYR 26.A O no hydrogen 3.072 N/A PHE 31.A N LEU 27.A O no hydrogen 3.067 N/A SER 32.A N LEU 28.A O no hydrogen 2.884 N/A SER 32.A OG LEU 28.A O no hydrogen 3.448 N/A SER 32.A OG THR 29.A O no hydrogen 2.886 N/A VAL 33.A N THR 29.A O no hydrogen 3.366 N/A ALA 34.A N LEU 30.A O no hydrogen 3.260 N/A ALA 35.A N PHE 31.A O no hydrogen 2.852 N/A ARG 36.A N SER 32.A O no hydrogen 3.041 N/A ARG 36.A NH2 ASP 216.A O no hydrogen 3.162 N/A LEU 37.A N VAL 33.A O no hydrogen 3.038 N/A TYR 38.A N ALA 34.A O no hydrogen 3.155 N/A TYR 38.A N ALA 35.A O no hydrogen 3.164 N/A TYR 38.A OH ALA 145.A O no hydrogen 2.668 N/A LYS 39.A N ALA 35.A O no hydrogen 3.158 N/A LYS 39.A N ARG 36.A O no hydrogen 3.014 N/A HIS 40.A N LEU 37.A O no hydrogen 3.204 N/A HIS 40.A ND1 SER 42.A OG no hydrogen 2.745 N/A SER 42.A N HIS 40.A ND1 no hydrogen 3.138 N/A SER 42.A OG HIS 40.A ND1 no hydrogen 2.745 N/A ILE 43.A N HIS 40.A O no hydrogen 3.221 N/A ARG 44.A N PRO 41.A O no hydrogen 3.210 N/A ASN 45.A ND2 ILE 43.A O no hydrogen 2.992 N/A ASN 45.A ND2 THR 192.A OG1 no hydrogen 2.754 N/A SER 48.A N ARG 3.A O no hydrogen 2.744 N/A VAL 50.A N VAL 5.A O no hydrogen 3.100 N/A VAL 52.A N THR 7.A O no hydrogen 3.105 N/A LYS 53.A NZ HIS 84.A O no hydrogen 2.922 N/A LEU 55.A N LEU 9.A O no hydrogen 3.001 N/A ILE 57.A N ALA 11.A O no hydrogen 2.951 N/A GLN 61.A N ASP 59.A OD1 no hydrogen 3.160 N/A LYS 62.A N ASP 59.A O no hydrogen 2.778 N/A GLY 63.A N GLU 60.A O no hydrogen 2.899 N/A THR 67.A N THR 73.A OG1 no hydrogen 3.013 N/A ALA 70.A N CYS 107.A O no hydrogen 3.083 N/A LEU 72.A N ASN 69.A OD1 no hydrogen 3.163 N/A THR 73.A N ASN 69.A O no hydrogen 2.915 N/A THR 73.A OG1 THR 67.A O no hydrogen 2.848 N/A THR 73.A OG1 ASN 69.A O no hydrogen 2.694 N/A LEU 74.A N ALA 70.A O no hydrogen 3.061 N/A ARG 75.A N ALA 71.A O no hydrogen 3.201 N/A ASN 76.A N LEU 72.A O no hydrogen 2.929 N/A ASN 76.A ND2 GLU 65.A O no hydrogen 3.142 N/A PHE 77.A N THR 73.A O no hydrogen 2.927 N/A CYS 78.A N LEU 74.A O no hydrogen 2.718 N/A CYS 78.A SG SER 127.A O no hydrogen 2.929 N/A ASN 79.A N ARG 75.A O no hydrogen 3.080 N/A TRP 80.A N ASN 76.A O no hydrogen 3.130 N/A GLN 81.A N PHE 77.A O no hydrogen 2.944 N/A GLN 81.A NE2 CYS 78.A O no hydrogen 2.673 N/A GLN 81.A NE2 PRO 126.A O no hydrogen 3.069 N/A LYS 82.A N ASN 79.A O no hydrogen 3.338 N/A LYS 82.A NZ ASN 79.A OD1 no hydrogen 3.297 N/A GLN 83.A NE2 TRP 80.A O no hydrogen 3.579 N/A HIS 84.A N GLN 81.A O no hydrogen 3.216 N/A ASN 85.A N LYS 82.A O no hydrogen 3.282 N/A ASN 85.A ND2 TYR 95.A O no hydrogen 3.016 N/A ARG 90.A N SER 88.A OG no hydrogen 2.748 N/A ASP 91.A N SER 88.A O no hydrogen 3.196 N/A GLU 93.A N ASP 91.A OD1 no hydrogen 3.065 N/A HIS 94.A N ASP 91.A O no hydrogen 3.435 N/A HIS 94.A ND1 PRO 86.A O no hydrogen 2.497 N/A TYR 95.A N ASN 85.A OD1 no hydrogen 3.072 N/A TYR 95.A OH GLN 81.A O no hydrogen 2.539 N/A THR 97.A N GLU 6.A O no hydrogen 2.980 N/A THR 97.A OG1 SER 129.A O no hydrogen 3.091 N/A THR 97.A OG1 SER 129.A OG no hydrogen 2.631 N/A ALA 98.A N SER 129.A O no hydrogen 3.071 N/A ILE 99.A N MET 8.A O no hydrogen 2.941 N/A LEU 100.A N SER 131.A O no hydrogen 2.919 N/A PHE 101.A N VAL 10.A O no hydrogen 2.775 N/A THR 102.A N ILE 133.A O no hydrogen 3.277 N/A THR 102.A OG1 ASP 12.A OD2 no hydrogen 2.708 N/A THR 102.A OG1 SER 14.A OG no hydrogen 3.206 N/A ARG 103.A N SER 14.A OG no hydrogen 3.004 N/A ARG 103.A NH1 PHE 230.A O no hydrogen 2.999 N/A ARG 103.A NH2 ASP 135.A OD1 no hydrogen 2.930 N/A ARG 103.A NH2 PHE 230.A O no hydrogen 2.828 N/A GLN 104.A N THR 102.A OG1 no hydrogen 2.998 N/A LEU 106.A N GLU 134.A OE2 no hydrogen 2.670 N/A CYS 107.A N SER 68.A O no hydrogen 2.740 N/A CYS 107.A SG ASP 105.A O no hydrogen 3.616 N/A GLY 108.A N THR 111.A O no hydrogen 3.008 N/A SER 109.A OG GLN 110.A OE1 no hydrogen 3.205 N/A MET 117.A N VAL 132.A O no hydrogen 2.953 N/A GLY 121.A N HIS 150.A O no hydrogen 3.066 N/A THR 122.A N VAL 151.A O no hydrogen 3.141 N/A THR 122.A OG1 ARG 128.A O no hydrogen 3.210 N/A CYS 124.A SG HIS 199.A O no hydrogen 3.450 N/A ASP 125.A N THR 122.A O no hydrogen 2.989 N/A SER 127.A N ASP 125.A OD1 no hydrogen 3.139 N/A SER 127.A OG ASP 125.A OD1 no hydrogen 2.840 N/A SER 127.A OG ASP 125.A OD2 no hydrogen 3.528 N/A ARG 128.A N ASP 125.A O no hydrogen 2.938 N/A SER 129.A N ASP 125.A O no hydrogen 2.784 N/A SER 129.A OG ASP 96.A O no hydrogen 2.761 N/A SER 129.A OG THR 97.A OG1 no hydrogen 2.631 N/A SER 129.A OG VAL 123.A O no hydrogen 3.128 N/A CYS 130.A N ARG 128.A O no hydrogen 2.797 N/A SER 131.A N ALA 98.A O no hydrogen 3.022 N/A VAL 132.A N MET 117.A O no hydrogen 2.939 N/A ILE 133.A N LEU 100.A O no hydrogen 2.692 N/A GLU 134.A N LEU 115.A O no hydrogen 2.730 N/A ASP 135.A N THR 102.A O no hydrogen 2.883 N/A GLY 137.A N ASP 135.A OD2 no hydrogen 3.376 N/A GLN 139.A N GLN 139.A OE1 no hydrogen 2.970 N/A ALA 140.A N GLY 137.A O no hydrogen 2.909 N/A ALA 141.A N LEU 138.A O no hydrogen 2.907 N/A PHE 142.A N GLN 139.A O no hydrogen 2.889 N/A THR 143.A N GLN 139.A O no hydrogen 3.367 N/A THR 144.A N ALA 140.A O no hydrogen 2.837 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.613 N/A ALA 145.A N ALA 141.A O no hydrogen 3.207 N/A HIS 146.A N PHE 142.A O no hydrogen 2.956 N/A HIS 146.A ND1 MET 169.A O no hydrogen 2.607 N/A GLU 147.A N THR 143.A O no hydrogen 2.918 N/A LEU 148.A N THR 144.A O no hydrogen 3.129 N/A GLY 149.A N ALA 145.A O no hydrogen 2.940 N/A HIS 150.A N HIS 146.A O no hydrogen 3.131 N/A HIS 150.A ND1 MET 154.A O no hydrogen 2.809 N/A VAL 151.A N GLU 147.A O no hydrogen 2.918 N/A PHE 152.A N LEU 148.A O no hydrogen 2.793 N/A ASN 153.A N HIS 150.A O no hydrogen 2.792 N/A MET 154.A N GLY 149.A O no hydrogen 2.759 N/A ASP 157.A N MET 170.A O no hydrogen 2.677 N/A ALA 159.A N HIS 156.A O no hydrogen 3.037 N/A GLN 161.A N GLN 161.A OE1 no hydrogen 2.778 N/A CYS 162.A N ALA 159.A O no hydrogen 2.980 N/A CYS 162.A SG HIS 156.A O no hydrogen 3.730 N/A ALA 163.A N LYS 160.A O no hydrogen 3.105 N/A ASN 166.A N CYS 162.A O no hydrogen 3.068 N/A ASN 166.A N ALA 163.A O no hydrogen 3.277 N/A ASN 166.A ND2 ASP 157.A O no hydrogen 3.105 N/A ASN 166.A ND2 ASP 157.A OD1 no hydrogen 3.207 N/A HIS 168.A ND1 GLN 181.A O no hydrogen 2.485 N/A MET 169.A N PRO 182.A O no hydrogen 2.682 N/A ALA 171.A N HIS 168.A O no hydrogen 3.370 N/A SER 172.A OG ASP 158.A OD1 no hydrogen 2.782 N/A SER 172.A OG ASP 158.A OD2 no hydrogen 3.561 N/A ASP 178.A N SER 167.A O no hydrogen 2.799 N/A SER 180.A N ASP 178.A OD1 no hydrogen 2.913 N/A SER 180.A OG ASP 178.A OD1 no hydrogen 2.768 N/A SER 180.A OG ASP 178.A OD2 no hydrogen 3.547 N/A GLN 181.A N ASP 178.A O no hydrogen 3.190 N/A GLN 181.A NE2 SER 180.A O no hydrogen 2.995 N/A TRP 183.A N SER 42.A OG no hydrogen 3.169 N/A TRP 183.A NE1 LEU 37.A O no hydrogen 2.706 N/A SER 184.A OG ASP 157.A OD1 no hydrogen 2.514 N/A SER 184.A OG ASN 166.A OD1 no hydrogen 3.538 N/A CYS 186.A N ASN 166.A OD1 no hydrogen 3.138 N/A SER 187.A N SER 184.A OG no hydrogen 3.110 N/A ALA 188.A N SER 184.A O no hydrogen 3.033 N/A TYR 189.A N PRO 185.A O no hydrogen 2.960 N/A MET 190.A N CYS 186.A O no hydrogen 2.853 N/A ILE 191.A N SER 187.A O no hydrogen 3.095 N/A THR 192.A N ALA 188.A O no hydrogen 2.852 N/A THR 192.A OG1 ALA 188.A O no hydrogen 2.568 N/A SER 193.A N TYR 189.A O no hydrogen 2.805 N/A SER 193.A OG TYR 189.A O no hydrogen 2.921 N/A PHE 194.A N MET 190.A O no hydrogen 3.151 N/A LEU 195.A N ILE 191.A O no hydrogen 3.074 N/A ASP 196.A N THR 192.A O no hydrogen 2.933 N/A ASN 197.A N SER 193.A O no hydrogen 2.853 N/A GLY 198.A N LEU 195.A O no hydrogen 3.156 N/A HIS 199.A N PHE 194.A O no hydrogen 3.306 N/A CYS 202.A SG VAL 123.A O no hydrogen 3.822 N/A LEU 203.A N GLY 200.A O no hydrogen 3.204 N/A GLN 208.A NE2 ARG 90.A O no hydrogen 2.725 N/A ILE 211.A N VAL 51.A O no hydrogen 2.726 N/A GLY 219.A N ASP 261.A O no hydrogen 2.989 N/A THR 220.A N LEU 217.A O no hydrogen 3.037 N/A SER 221.A N PRO 218.A O no hydrogen 3.092 N/A SER 221.A OG HIS 25.A NE2 no hydrogen 2.559 N/A TYR 222.A N PRO 218.A O no hydrogen 3.111 N/A ARG 226.A N ASP 223.A OD2 no hydrogen 3.124 N/A ARG 226.A NH1 GLN 229.A OE1 no hydrogen 3.052 N/A GLN 227.A N ASP 223.A O no hydrogen 3.008 N/A GLN 227.A NE2 TYR 222.A O no hydrogen 3.126 N/A GLN 227.A NE2 THR 263.A OG1 no hydrogen 2.550 N/A CYS 228.A N ALA 224.A O no hydrogen 3.069 N/A CYS 228.A SG ALA 224.A O no hydrogen 3.543 N/A CYS 228.A SG TRP 246.A O no hydrogen 3.585 N/A GLN 229.A N ASN 225.A O no hydrogen 3.057 N/A GLN 229.A NE2 GLU 234.A O no hydrogen 2.860 N/A PHE 230.A N ARG 226.A O no hydrogen 2.806 N/A THR 231.A N GLN 227.A O no hydrogen 3.235 N/A THR 231.A OG1 ASP 136.A O no hydrogen 2.873 N/A THR 231.A OG1 GLN 227.A O no hydrogen 3.123 N/A PHE 232.A N CYS 228.A O no hydrogen 2.775 N/A GLY 233.A N GLN 229.A O no hydrogen 2.773 N/A SER 236.A N GLY 233.A O no hydrogen 3.014 N/A SER 236.A OG THR 248.A O no hydrogen 2.877 N/A LYS 237.A N THR 248.A OG1 no hydrogen 2.951 N/A HIS 238.A N ASN 225.A OD1 no hydrogen 2.950 N/A CYS 239.A N TRP 246.A O no hydrogen 2.908 N/A SER 243.A N THR 241.A O no hydrogen 2.674 N/A LEU 245.A N PHE 257.A O no hydrogen 2.762 N/A CYS 247.A N GLN 253.A O no hydrogen 2.730 N/A THR 248.A N LYS 237.A O no hydrogen 2.762 N/A THR 248.A OG1 LYS 237.A O no hydrogen 3.405 N/A GLN 253.A N CYS 247.A O no hydrogen 2.589 N/A GLN 253.A NE2 THR 248.A O no hydrogen 2.873 N/A THR 254.A OG1 LEU 245.A O no hydrogen 2.627 N/A LYS 255.A NZ ASP 136.A OD2 no hydrogen 2.914 N/A HIS 256.A N THR 254.A OG1 no hydrogen 2.947 N/A TRP 259.A N CYS 242.A O no hydrogen 2.912 N/A TRP 259.A NE1 THR 244.A O no hydrogen 3.152 N/A ALA 260.A N GLN 227.A OE1 no hydrogen 3.015 N/A GLY 262.A N CYS 271.A O no hydrogen 2.873 N/A THR 263.A N ALA 260.A O no hydrogen 3.010 N/A THR 263.A OG1 ALA 260.A O no hydrogen 2.603 N/A CYS 265.A N LYS 269.A O no hydrogen 3.090 N/A LYS 269.A N GLY 266.A O no hydrogen 3.208 N/A TRP 270.A N VAL 277.A O no hydrogen 3.082 N/A CYS 271.A N THR 263.A O no hydrogen 2.821 N/A CYS 271.A SG THR 263.A O no hydrogen 3.383 N/A ILE 272.A N LYS 275.A O no hydrogen 2.958 N/A ASN 273.A N ASP 261.A OD1 no hydrogen 2.861 N/A LYS 275.A N ILE 272.A O no hydrogen 3.223 N/A CYS 276.A SG CYS 265.A O no hydrogen 3.203 N/A VAL 277.A N TRP 270.A O no hydrogen 3.120 N/A LYS 279.A N GLY 268.A O no hydrogen 2.885 N/A