Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dcd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N TRP 204.A O no hydrogen 2.828 N/A ALA 7.A N LEU 202.A O no hydrogen 2.973 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 2.853 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 3.059 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.358 N/A ARG 8.A NH2 ASP 6.A OD2 no hydrogen 2.807 N/A GLU 9.A N ASP 6.A O no hydrogen 2.906 N/A GLN 10.A N ASP 6.A O no hydrogen 3.054 N/A TRP 11.A N ALA 7.A O no hydrogen 3.135 N/A CYS 14.A N TRP 11.A O no hydrogen 2.987 N/A THR 16.A OG1 ASP 40.A OD1 no hydrogen 2.933 N/A ILE 17.A N CYS 14.A O no hydrogen 3.058 N/A LYS 18.A N PRO 15.A O no hydrogen 3.059 N/A GLU 19.A N THR 16.A O no hydrogen 3.090 N/A ARG 21.A NH1 VAL 52.A O no hydrogen 2.872 N/A ARG 21.A NH2 VAL 52.A O no hydrogen 3.286 N/A GLN 23.A N SER 218.A O no hydrogen 2.941 N/A GLN 23.A NE2 CYS 26.A O no hydrogen 2.579 N/A GLY 24.A N ASP 22.A OD2 no hydrogen 2.656 N/A CYS 26.A N GLY 24.A O no hydrogen 2.938 N/A GLY 27.A N CYS 69.A O no hydrogen 2.854 N/A SER 28.A OG TYR 101.A OH no hydrogen 3.060 N/A TRP 30.A NE1 GLY 68.A O no hydrogen 2.865 N/A ALA 31.A N SER 28.A O no hydrogen 3.019 N/A PHE 32.A N SER 28.A O no hydrogen 3.011 N/A GLY 33.A N CYS 29.A O no hydrogen 2.890 N/A VAL 35.A N ALA 31.A O no hydrogen 3.025 N/A GLU 36.A N PHE 32.A O no hydrogen 3.028 N/A ALA 37.A N GLY 33.A O no hydrogen 3.480 N/A ILE 38.A N ALA 34.A O no hydrogen 2.801 N/A SER 39.A N VAL 35.A O no hydrogen 2.873 N/A SER 39.A OG VAL 35.A O no hydrogen 2.657 N/A SER 39.A OG VAL 50.A O no hydrogen 3.426 N/A ASP 40.A N GLU 36.A O no hydrogen 2.983 N/A ARG 41.A N ALA 37.A O no hydrogen 2.866 N/A ARG 41.A NE PRO 167.A O no hydrogen 2.940 N/A ARG 41.A NH1 TYR 149.A OH no hydrogen 3.254 N/A ARG 41.A NH1 GLU 161.A OE2 no hydrogen 3.130 N/A ARG 41.A NH1 GLY 247.A O no hydrogen 2.865 N/A ARG 41.A NH2 GLU 161.A OE2 no hydrogen 2.706 N/A ARG 41.A NH2 GLY 166.A O no hydrogen 2.927 N/A ILE 42.A N ILE 38.A O no hydrogen 2.917 N/A CYS 43.A N SER 39.A O no hydrogen 3.301 N/A CYS 43.A SG ASN 13.A O no hydrogen 3.403 N/A CYS 43.A SG ASN 47.A OD1 no hydrogen 3.887 N/A CYS 43.A SG ASN 49.A OD1 no hydrogen 3.802 N/A ILE 44.A N ASP 40.A O no hydrogen 2.941 N/A HIS 45.A N ARG 41.A O no hydrogen 2.867 N/A SER 46.A OG ILE 42.A O no hydrogen 2.387 N/A VAL 52.A N SER 39.A OG no hydrogen 3.004 N/A SER 53.A N VAL 87.A O no hydrogen 2.889 N/A SER 53.A OG ARG 99.A O no hydrogen 2.784 N/A ASP 56.A N SER 53.A OG no hydrogen 2.938 N/A MET 57.A N SER 53.A O no hydrogen 3.414 N/A LEU 58.A N ALA 54.A O no hydrogen 2.807 N/A THR 59.A N GLU 55.A O no hydrogen 2.956 N/A THR 59.A OG1 GLU 55.A O no hydrogen 2.683 N/A THR 59.A OG1 LYS 125.A O no hydrogen 3.519 N/A CYS 60.A N ASP 56.A O no hydrogen 3.032 N/A CYS 60.A SG ASP 56.A OD2 no hydrogen 3.716 N/A CYS 60.A SG TYR 138.A OH no hydrogen 3.915 N/A CYS 61.A SG GLY 62.A O no hydrogen 4.016 N/A CYS 61.A SG GLU 64.A OE1 no hydrogen 3.602 N/A CYS 65.A N GLY 62.A O no hydrogen 2.892 N/A CYS 65.A SG GLU 64.A OE1 no hydrogen 3.822 N/A GLY 66.A N GLY 63.A O no hydrogen 2.878 N/A ASP 67.A N GLY 71.A O no hydrogen 2.771 N/A CYS 69.A N THR 123.A OG1 no hydrogen 2.835 N/A CYS 69.A SG ASP 122.A O no hydrogen 3.546 N/A ASN 70.A N ASP 67.A O no hydrogen 2.767 N/A GLY 71.A N GLY 68.A O no hydrogen 3.059 N/A PHE 73.A N CYS 65.A O no hydrogen 2.743 N/A GLY 76.A N PHE 73.A O no hydrogen 2.844 N/A ALA 77.A N PHE 73.A O no hydrogen 3.170 N/A TRP 78.A N PRO 74.A O no hydrogen 3.311 N/A TRP 78.A NE1 GLU 169.A OE2 no hydrogen 2.939 N/A ASN 79.A N SER 75.A O no hydrogen 3.215 N/A ASN 79.A N GLY 76.A O no hydrogen 3.097 N/A ASN 79.A ND2 GLU 64.A OE2 no hydrogen 3.326 N/A PHE 80.A N GLY 76.A O no hydrogen 3.029 N/A TRP 81.A N ALA 77.A O no hydrogen 3.246 N/A THR 82.A N ASN 79.A O no hydrogen 2.988 N/A THR 82.A OG1 ASN 79.A O no hydrogen 2.707 N/A LYS 83.A N ASN 79.A O no hydrogen 2.847 N/A LYS 84.A N PHE 80.A O no hydrogen 2.721 N/A GLY 85.A N PHE 80.A O no hydrogen 3.050 N/A LEU 86.A N HIS 143.A O no hydrogen 2.872 N/A VAL 87.A N ASP 56.A OD1 no hydrogen 3.139 N/A SER 88.A N ASP 141.A OD2 no hydrogen 2.884 N/A SER 88.A OG TYR 134.A OH no hydrogen 3.215 N/A SER 88.A OG ASP 141.A OD2 no hydrogen 2.887 N/A GLY 89.A N GLU 51.A O no hydrogen 2.707 N/A GLY 90.A N VAL 96.A O no hydrogen 2.868 N/A SER 94.A N LEU 91.A O no hydrogen 3.091 N/A SER 94.A OG LEU 91.A O no hydrogen 2.678 N/A HIS 95.A ND1 ASN 93.A O no hydrogen 3.157 N/A VAL 96.A N SER 94.A OG no hydrogen 3.231 N/A CYS 98.A N SER 88.A OG no hydrogen 3.132 N/A ARG 99.A N SER 88.A O no hydrogen 2.791 N/A ARG 99.A NH1 ASP 56.A OD2 no hydrogen 3.106 N/A ARG 99.A NH1 THR 59.A OG1 no hydrogen 3.189 N/A ARG 99.A NH2 THR 59.A OG1 no hydrogen 3.154 N/A ARG 99.A NH2 LYS 125.A O no hydrogen 3.089 N/A TYR 101.A N GLY 90.A O no hydrogen 2.858 N/A TYR 101.A OH GLN 23.A O no hydrogen 2.549 N/A TYR 101.A OH SER 28.A OG no hydrogen 3.060 N/A SER 102.A N GLU 55.A OE1 no hydrogen 3.025 N/A SER 102.A OG GLU 55.A OE1 no hydrogen 3.308 N/A SER 102.A OG GLU 55.A OE2 no hydrogen 2.724 N/A CYS 106.A N ASP 22.A OD1 no hydrogen 2.954 N/A CYS 106.A SG SER 25.A OG no hydrogen 3.636 N/A CYS 106.A SG HIS 108.A NE2 no hydrogen 3.726 N/A GLU 107.A N PRO 115.A O no hydrogen 2.911 N/A HIS 108.A NE2 ASP 22.A OD2 no hydrogen 2.695 N/A ARG 114.A N GLU 107.A OE2 no hydrogen 3.046 N/A ARG 114.A NH2 ASP 222.A OD1 no hydrogen 2.810 N/A CYS 117.A N GLU 107.A O no hydrogen 3.077 N/A CYS 117.A SG GLU 107.A O no hydrogen 3.187 N/A THR 118.A N SER 25.A OG no hydrogen 2.862 N/A THR 118.A OG1 GLU 120.A O no hydrogen 3.420 N/A GLU 120.A N THR 118.A O no hydrogen 2.365 N/A SER 127.A OG THR 129.A OG1 no hydrogen 3.041 N/A THR 129.A OG1 SER 127.A OG no hydrogen 3.041 N/A CYS 130.A SG PRO 136.A O no hydrogen 3.612 N/A GLU 131.A N CYS 98.A O no hydrogen 2.803 N/A TYR 134.A N GLU 131.A O no hydrogen 3.228 N/A TYR 134.A OH ASP 141.A OD1 no hydrogen 2.554 N/A SER 137.A N GLU 140.A OE1 no hydrogen 3.431 N/A SER 137.A OG GLU 140.A OE1 no hydrogen 3.259 N/A TYR 138.A OH ASP 56.A OD2 no hydrogen 2.635 N/A ASP 141.A N TYR 138.A O no hydrogen 3.131 N/A LYS 142.A NZ ASP 56.A OD1 no hydrogen 2.763 N/A LYS 142.A NZ GLY 85.A O no hydrogen 2.917 N/A LYS 142.A NZ TYR 138.A OH no hydrogen 2.949 N/A HIS 143.A N LEU 86.A O no hydrogen 2.682 N/A GLY 145.A N TRP 81.A O no hydrogen 2.948 N/A CYS 146.A N MET 248.A O no hydrogen 2.733 N/A SER 148.A OG ASN 79.A OD1 no hydrogen 2.774 N/A TYR 149.A N ALA 246.A O no hydrogen 2.807 N/A TYR 149.A OH GLU 161.A OE2 no hydrogen 2.770 N/A VAL 151.A N ILE 244.A O no hydrogen 2.816 N/A ASN 153.A ND2 ASP 236.A OD2 no hydrogen 3.468 N/A ASN 154.A N ALA 152.A O no hydrogen 2.619 N/A GLU 157.A N ASN 154.A OD1 no hydrogen 3.010 N/A ILE 158.A N ASN 154.A O no hydrogen 2.880 N/A MET 159.A N GLU 155.A O no hydrogen 3.011 N/A ALA 160.A N LYS 156.A O no hydrogen 2.864 N/A GLU 161.A N GLU 157.A O no hydrogen 2.868 N/A ILE 162.A N ILE 158.A O no hydrogen 3.126 N/A TYR 163.A N MET 159.A O no hydrogen 2.794 N/A LYS 164.A N ALA 160.A O no hydrogen 2.999 N/A ASN 165.A N GLU 161.A O no hydrogen 2.785 N/A ASN 165.A ND2 HIS 45.A NE2 no hydrogen 3.299 N/A GLY 166.A N ILE 162.A O no hydrogen 2.853 N/A VAL 168.A N ILE 201.A O no hydrogen 3.162 N/A GLU 169.A N VAL 245.A O no hydrogen 3.077 N/A GLY 170.A N ILE 199.A O no hydrogen 2.988 N/A PHE 172.A N HIS 197.A O no hydrogen 3.089 N/A SER 173.A N CYS 238.A O no hydrogen 2.813 N/A VAL 174.A N GLY 195.A O no hydrogen 2.896 N/A SER 176.A N GLU 192.A O no hydrogen 3.030 N/A PHE 178.A N TYR 175.A O no hydrogen 2.912 N/A LEU 179.A N SER 176.A O no hydrogen 3.208 N/A TYR 181.A N PHE 178.A O no hydrogen 3.068 N/A TYR 181.A OH GLY 184.A O no hydrogen 2.535 N/A TYR 186.A N LYS 230.A O no hydrogen 2.745 N/A TYR 186.A OH ASP 177.A OD2 no hydrogen 2.634 N/A VAL 189.A N ASP 177.A OD1 no hydrogen 2.940 N/A SER 190.A N ASP 177.A OD1 no hydrogen 3.222 N/A MET 194.A N VAL 174.A O no hydrogen 2.819 N/A HIS 197.A N PHE 172.A O no hydrogen 2.995 N/A HIS 197.A NE2 ASN 217.A OD1 no hydrogen 2.804 N/A ILE 199.A N GLY 170.A O no hydrogen 2.831 N/A ARG 200.A N GLY 216.A O no hydrogen 3.423 N/A ARG 200.A NE ASP 40.A OD2 no hydrogen 3.135 N/A ARG 200.A NH1 GLU 36.A OE1 no hydrogen 3.539 N/A ARG 200.A NH2 ILE 17.A O no hydrogen 2.715 N/A ILE 201.A N VAL 168.A O no hydrogen 2.999 N/A LEU 202.A N LEU 214.A O no hydrogen 2.911 N/A TRP 204.A N PHE 5.A O no hydrogen 2.902 N/A TRP 204.A NE1 PRO 2.A O no hydrogen 3.190 N/A GLY 205.A N TYR 212.A O no hydrogen 3.158 N/A GLU 207.A N THR 210.A O no hydrogen 2.894 N/A THR 210.A N GLU 207.A O no hydrogen 3.025 N/A TYR 212.A N GLY 205.A O no hydrogen 2.943 N/A TRP 213.A N ILE 231.A O no hydrogen 2.824 N/A TRP 213.A NE1 GLU 241.A OE2 no hydrogen 2.836 N/A LEU 214.A N GLY 203.A O no hydrogen 2.790 N/A VAL 215.A N PHE 229.A O no hydrogen 2.948 N/A GLY 216.A N ARG 200.A O no hydrogen 2.828 N/A ASN 217.A N GLY 227.A O no hydrogen 3.038 N/A SER 218.A N ASN 217.A OD1 no hydrogen 2.656 N/A SER 218.A OG GLN 23.A OE1 no hydrogen 2.781 N/A ASN 220.A N ARG 21.A O no hydrogen 3.135 N/A ASN 220.A ND2 ASP 22.A OD1 no hydrogen 2.805 N/A THR 221.A N ASN 220.A OD1 no hydrogen 2.806 N/A TRP 223.A NE1 LEU 179.A O no hydrogen 3.157 N/A ASP 225.A N PHE 228.A O no hydrogen 3.005 N/A GLY 227.A N TRP 223.A O no hydrogen 2.863 N/A PHE 228.A N ASP 225.A O no hydrogen 3.062 N/A PHE 229.A N VAL 215.A O no hydrogen 2.875 N/A LYS 230.A N TYR 181.A OH no hydrogen 3.177 N/A LYS 230.A NZ GLU 207.A OE1 no hydrogen 2.939 N/A ILE 231.A N TRP 213.A O no hydrogen 3.283 N/A LEU 232.A N TYR 186.A O no hydrogen 3.186 N/A ARG 233.A N PRO 211.A O no hydrogen 2.974 N/A ARG 233.A NE TYR 212.A O no hydrogen 2.902 N/A ARG 233.A NH1 GLU 155.A OE1 no hydrogen 2.666 N/A ARG 233.A NH2 GLY 205.A O no hydrogen 2.933 N/A GLY 234.A N GLU 241.A OE2 no hydrogen 3.000 N/A ASP 236.A N GLU 241.A OE1 no hydrogen 2.932 N/A CYS 238.A SG SER 173.A O no hydrogen 3.666 N/A GLY 239.A N ASP 236.A O no hydrogen 2.815 N/A ILE 240.A N HIS 237.A O no hydrogen 3.074 N/A GLU 241.A N ASP 236.A OD1 no hydrogen 3.029 N/A SER 242.A N GLY 239.A O no hydrogen 3.057 N/A SER 242.A OG GLY 239.A O no hydrogen 2.779 N/A VAL 245.A N GLU 169.A O no hydrogen 2.912 N/A ALA 246.A N TYR 149.A O no hydrogen 2.916 N/A MET 248.A N SER 147.A O no hydrogen 3.163 N/A MET 248.A N SER 147.A OG no hydrogen 3.098 N/A CYS 250.A N PHE 144.A O no hydrogen 3.246 N/A CYS 250.A SG PHE 144.A O no hydrogen 3.698 N/A THR 251.A OG1 CYS 250.A O no hydrogen 2.618 N/A