Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pdt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N LEU 24.A O no hydrogen 2.800 N/A MET 4.A N ASP 140.A OD2 no hydrogen 3.010 N/A GLY 5.A N MET 22.A O no hydrogen 2.843 N/A ILE 6.A N GLU 137.A O no hydrogen 3.061 N/A LEU 7.A N LEU 20.A O no hydrogen 2.888 N/A TRP 8.A N VAL 135.A O no hydrogen 2.802 N/A TRP 8.A NE1 GLU 137.A OE2 no hydrogen 2.809 N/A GLU 9.A N ILE 18.A O no hydrogen 2.942 N/A ASP 11.A N LYS 16.A O no hydrogen 3.008 N/A ILE 13.A N ASP 11.A OD1 no hydrogen 3.161 N/A ILE 14.A N ASP 11.A O no hydrogen 3.267 N/A ASN 15.A N PRO 12.A O no hydrogen 3.205 N/A LYS 16.A N ASP 11.A O no hydrogen 3.486 N/A TRP 17.A N MET 66.A O no hydrogen 2.793 N/A ILE 18.A N GLU 9.A O no hydrogen 2.662 N/A ARG 19.A NH1 ASP 50.A OD2 no hydrogen 3.009 N/A ARG 19.A NH1 TYR 53.A O no hydrogen 2.679 N/A ARG 19.A NH2 TYR 53.A O no hydrogen 2.974 N/A LEU 20.A N LEU 7.A O no hydrogen 2.779 N/A SER 21.A N GLY 48.A O no hydrogen 3.061 N/A SER 21.A OG THR 49.A O no hydrogen 2.642 N/A MET 22.A N GLY 5.A O no hydrogen 2.963 N/A LYS 23.A N GLY 46.A O no hydrogen 2.946 N/A LEU 24.A N GLU 3.A O no hydrogen 2.839 N/A LYS 25.A N VAL 43.A O no hydrogen 2.905 N/A GLU 27.A N HIS 41.A O no hydrogen 3.003 N/A PHE 31.A N ALA 39.A O no hydrogen 2.803 N/A GLY 34.A N ARG 37.A O no hydrogen 2.821 N/A GLU 38.A N LEU 90.A O no hydrogen 2.912 N/A ALA 39.A N ALA 32.A O no hydrogen 2.809 N/A TYR 40.A N LEU 88.A O no hydrogen 2.771 N/A THR 42.A N PHE 86.A O no hydrogen 3.006 N/A THR 42.A OG1 TYR 40.A O no hydrogen 3.223 N/A VAL 43.A N LYS 25.A O no hydrogen 2.953 N/A SER 44.A N THR 84.A O no hydrogen 2.809 N/A SER 44.A OG LEU 80.A O no hydrogen 2.675 N/A LEU 45.A N LYS 23.A O no hydrogen 2.839 N/A GLY 46.A N SER 44.A OG no hydrogen 2.996 N/A GLY 48.A N SER 21.A O no hydrogen 2.783 N/A GLU 51.A N THR 49.A OG1 no hydrogen 3.255 N/A TYR 53.A N ASP 50.A O no hydrogen 3.016 N/A THR 57.A OG1 THR 58.A OG1 no hydrogen 3.374 N/A THR 58.A N THR 57.A OG1 no hydrogen 2.545 N/A THR 58.A OG1 THR 57.A OG1 no hydrogen 3.374 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.802 N/A MET 66.A N PRO 63.A O no hydrogen 2.818 N/A ILE 67.A N ILE 64.A O no hydrogen 3.166 N/A SER 68.A N TRP 17.A O no hydrogen 2.837 N/A SER 68.A OG ILE 70.A O no hydrogen 2.698 N/A ILE 70.A N SER 68.A OG no hydrogen 3.191 N/A ASN 74.A ND2 SER 71.A O no hydrogen 2.720 N/A GLU 75.A N GLU 9.A OE1 no hydrogen 3.158 N/A GLU 75.A N GLU 9.A OE2 no hydrogen 2.830 N/A ALA 76.A N GLU 9.A OE1 no hydrogen 3.005 N/A MET 77.A N ASN 74.A OD1 no hydrogen 2.772 N/A THR 78.A N GLU 75.A O no hydrogen 3.149 N/A GLN 79.A N GLU 75.A O no hydrogen 2.859 N/A GLN 79.A NE2 GLU 75.A OE1 no hydrogen 2.873 N/A LEU 80.A N ALA 76.A O no hydrogen 2.831 N/A LYS 81.A N THR 78.A O no hydrogen 3.467 N/A GLY 83.A N SER 44.A O no hydrogen 2.865 N/A THR 84.A N LYS 81.A O no hydrogen 2.910 N/A THR 84.A OG1 LYS 81.A O no hydrogen 2.641 N/A PHE 86.A N THR 42.A O no hydrogen 2.874 N/A VAL 87.A N GLU 155.A O no hydrogen 2.810 N/A LEU 88.A N TYR 40.A O no hydrogen 2.933 N/A LYS 89.A N SER 153.A O no hydrogen 2.738 N/A LYS 89.A NZ GLU 155.A OE1 no hydrogen 2.869 N/A LEU 90.A N GLU 38.A O no hydrogen 3.134 N/A TYR 91.A OH ASP 105.A OD2 no hydrogen 2.474 N/A LYS 92.A N LEU 36.A O no hydrogen 2.793 N/A LYS 92.A NZ GLY 34.A O no hydrogen 2.599 N/A LYS 92.A NZ ALA 35.A O no hydrogen 3.337 N/A ALA 97.A N GLU 94.A O no hydrogen 3.333 N/A SER 98.A OG GLU 100.A OE1 no hydrogen 3.453 N/A ARG 99.A NE PHE 61.A O no hydrogen 2.728 N/A ARG 99.A NH1 GLU 137.A OE1 no hydrogen 3.158 N/A ARG 99.A NH2 PHE 61.A O no hydrogen 3.042 N/A ARG 99.A NH2 GLU 137.A OE2 no hydrogen 2.893 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.806 N/A LEU 101.A N SER 98.A O no hydrogen 3.291 N/A TYR 102.A N ARG 99.A O no hydrogen 3.276 N/A GLU 104.A N GLU 100.A O no hydrogen 2.882 N/A ASP 105.A N LEU 101.A O no hydrogen 2.810 N/A VAL 106.A N TYR 102.A O no hydrogen 3.132 N/A LYS 107.A N PHE 103.A O no hydrogen 2.872 N/A MET 108.A N GLU 104.A O no hydrogen 2.977 N/A GLN 109.A N ASP 105.A O no hydrogen 3.132 N/A GLN 109.A NE2 LEU 131.A O no hydrogen 2.935 N/A GLN 109.A NE2 THR 207.A OG1 no hydrogen 3.023 N/A MET 110.A N VAL 106.A O no hydrogen 3.051 N/A VAL 111.A N LYS 107.A O no hydrogen 2.827 N/A CYS 112.A N MET 108.A O no hydrogen 3.007 N/A CYS 112.A SG MET 108.A O no hydrogen 3.415 N/A ARG 113.A N GLN 109.A O no hydrogen 3.017 N/A ARG 113.A NH1 PHE 130.A O no hydrogen 2.954 N/A ASP 114.A N MET 110.A O no hydrogen 3.201 N/A TRP 115.A N VAL 111.A O no hydrogen 3.113 N/A GLY 116.A N CYS 112.A O no hydrogen 2.843 N/A ASN 117.A N ARG 113.A O no hydrogen 3.015 N/A LYS 118.A N ASP 114.A O no hydrogen 2.922 N/A PHE 119.A N TRP 115.A O no hydrogen 2.870 N/A ASN 120.A N GLY 116.A O no hydrogen 2.917 N/A ASN 120.A ND2 ILE 128.A O no hydrogen 2.766 N/A GLN 121.A N ASN 117.A O no hydrogen 3.089 N/A LYS 122.A N PHE 119.A O no hydrogen 3.189 N/A LYS 123.A N ASN 120.A O no hydrogen 3.095 N/A ILE 128.A N ASN 120.A OD1 no hydrogen 2.944 N/A GLU 129.A N ASP 204.A O no hydrogen 2.960 N/A LEU 131.A N TYR 206.A O no hydrogen 2.953 N/A SER 133.A OG ILE 154.A O no hydrogen 3.489 N/A SER 133.A OG GLU 155.A OE2 no hydrogen 3.215 N/A TRP 134.A N ILE 154.A O no hydrogen 2.909 N/A TRP 134.A NE1 GLU 9.A OE1 no hydrogen 2.874 N/A VAL 135.A N TRP 8.A O no hydrogen 3.173 N/A VAL 136.A N CYS 152.A O no hydrogen 3.016 N/A GLU 137.A N ILE 6.A O no hydrogen 2.936 N/A LEU 138.A N ILE 150.A O no hydrogen 2.899 N/A ILE 139.A N GLU 137.A O no hydrogen 3.028 N/A ARG 141.A N LEU 138.A O no hydrogen 3.099 N/A ARG 141.A NE GLU 3.A OE1 no hydrogen 2.867 N/A ARG 141.A NH2 GLU 3.A OE2 no hydrogen 2.931 N/A SER 145.A OG PRO 143.A O no hydrogen 2.682 N/A SER 145.A OG GLN 148.A O no hydrogen 3.550 N/A GLY 147.A N SER 144.A O no hydrogen 3.065 N/A CYS 152.A N VAL 136.A O no hydrogen 2.970 N/A CYS 152.A SG VAL 136.A O no hydrogen 3.674 N/A SER 153.A N LYS 89.A O no hydrogen 3.107 N/A ILE 154.A N TRP 134.A O no hydrogen 2.937 N/A GLU 155.A N VAL 87.A O no hydrogen 2.929 N/A LYS 163.A N GLY 201.A O no hydrogen 2.871 N/A ASN 165.A N ILE 199.A O no hydrogen 2.833 N/A ASN 165.A ND2 ILE 199.A O no hydrogen 3.227 N/A ASN 166.A ND2 GLN 180.A OE1 no hydrogen 2.945 N/A ASN 166.A ND2 SER 183.A OG no hydrogen 3.212 N/A SER 167.A N ALA 171.A O no hydrogen 3.147 N/A ASN 168.A ND2 GLY 222.A O no hydrogen 2.983 N/A TYR 169.A N SER 167.A OG no hydrogen 3.081 N/A ALA 171.A N SER 167.A OG no hydrogen 3.071 N/A LEU 173.A N ASN 165.A O no hydrogen 2.823 N/A THR 174.A OG1 ASN 165.A OD1 no hydrogen 2.643 N/A ARG 176.A NH1 ASP 203.A O no hydrogen 3.396 N/A ARG 176.A NH1 ASP 204.A OD1 no hydrogen 3.069 N/A ARG 176.A NH2 ASP 204.A OD1 no hydrogen 2.856 N/A ARG 176.A NH2 ASP 204.A OD2 no hydrogen 3.052 N/A GLN 180.A NE2 ASN 165.A O no hydrogen 2.972 N/A ALA 181.A N SER 177.A O no hydrogen 2.890 N/A PHE 182.A N THR 178.A O no hydrogen 2.943 N/A SER 183.A N PRO 179.A O no hydrogen 3.207 N/A SER 183.A OG PRO 179.A O no hydrogen 3.471 N/A SER 183.A OG VAL 196.A O no hydrogen 2.667 N/A HIS 184.A N GLN 180.A O no hydrogen 3.052 N/A PHE 185.A N ALA 181.A O no hydrogen 2.772 N/A THR 186.A N PHE 182.A O no hydrogen 2.959 N/A THR 186.A OG1 SER 183.A O no hydrogen 2.717 N/A TYR 187.A N SER 183.A O no hydrogen 3.199 N/A GLU 188.A N HIS 184.A O no hydrogen 3.029 N/A LEU 189.A N PHE 185.A O no hydrogen 2.982 N/A SER 190.A N THR 186.A O no hydrogen 3.183 N/A SER 190.A OG THR 186.A O no hydrogen 2.858 N/A SER 190.A OG TYR 187.A O no hydrogen 3.123 N/A SER 190.A OG MET 194.A O no hydrogen 2.926 N/A ASN 191.A N GLU 188.A O no hydrogen 3.173 N/A LYS 192.A N TYR 187.A O no hydrogen 2.871 N/A GLN 193.A N SER 190.A O no hydrogen 3.112 N/A GLN 193.A N SER 190.A OG no hydrogen 3.173 N/A GLN 193.A NE2 ASN 191.A O no hydrogen 2.979 N/A MET 194.A N SER 190.A OG no hydrogen 3.140 N/A ILE 195.A N HIS 212.A O no hydrogen 3.084 N/A VAL 196.A N THR 186.A OG1 no hydrogen 2.978 N/A VAL 197.A N GLN 210.A O no hydrogen 2.781 N/A ASP 198.A N SER 167.A O no hydrogen 3.311 N/A ILE 199.A N ASN 166.A OD1 no hydrogen 2.928 N/A GLY 201.A N LYS 163.A O no hydrogen 2.975 N/A VAL 202.A N LEU 205.A O no hydrogen 3.054 N/A LEU 205.A N VAL 202.A O no hydrogen 2.942 N/A TYR 206.A N GLU 129.A O no hydrogen 2.816 N/A THR 207.A N GLN 200.A O no hydrogen 2.830 N/A ASP 208.A N GLN 109.A OE1 no hydrogen 3.267 N/A ASP 208.A N THR 207.A OG1 no hydrogen 2.929 N/A GLN 210.A N VAL 197.A O no hydrogen 2.862 N/A GLN 210.A NE2 ILE 211.A O no hydrogen 2.863 N/A GLN 210.A NE2 PHE 219.A O no hydrogen 2.777 N/A HIS 212.A N ILE 195.A O no hydrogen 3.094 N/A THR 213.A N ASN 223.A OD1 no hydrogen 2.980 N/A THR 213.A OG1 ASP 215.A OD1 no hydrogen 3.116 N/A THR 213.A OG1 LYS 217.A O no hydrogen 3.445 N/A GLY 216.A N THR 213.A O no hydrogen 3.001 N/A LYS 217.A N ASP 215.A OD1 no hydrogen 2.977 N/A GLY 220.A N GLU 104.A OE2 no hydrogen 2.562 N/A ASN 223.A ND2 THR 213.A OG1 no hydrogen 2.990 N/A ASN 223.A ND2 GLY 218.A O no hydrogen 2.974 N/A GLY 225.A N ASN 223.A OD1 no hydrogen 3.112 N/A GLY 228.A N LEU 224.A O no hydrogen 3.148 N/A ILE 229.A N GLY 225.A O no hydrogen 3.048 N/A ASN 230.A N LYS 226.A O no hydrogen 2.835 N/A LYS 231.A N ALA 227.A O no hydrogen 3.110 N/A PHE 232.A N GLY 228.A O no hydrogen 3.198 N/A ILE 233.A N ILE 229.A O no hydrogen 3.069 N/A THR 234.A N ASN 230.A O no hydrogen 2.945 N/A THR 234.A OG1 LYS 231.A O no hydrogen 2.810 N/A THR 235.A OG1 GLY 170.A O no hydrogen 2.545 N/A THR 235.A OG1 LYS 231.A O no hydrogen 3.487 N/A HIS 236.A N PHE 232.A O no hydrogen 3.048 N/A HIS 236.A N ILE 233.A O no hydrogen 3.391 N/A CYS 238.A SG HIS 184.A ND1 no hydrogen 3.499 N/A CYS 238.A SG HIS 236.A NE2 no hydrogen 3.611 N/A ASN 239.A ND2 SER 177.A O no hydrogen 3.012 N/A VAL 241.A N ASN 239.A OD1 no hydrogen 2.887 N/A CYS 242.A N ASN 239.A OD1 no hydrogen 3.082 N/A CYS 242.A SG HIS 184.A ND1 no hydrogen 3.805 N/A CYS 242.A SG HIS 236.A NE2 no hydrogen 3.556 N/A CYS 242.A SG ASN 239.A OD1 no hydrogen 3.728 N/A ALA 243.A N ASN 239.A O no hydrogen 3.127 N/A LEU 244.A N ALA 240.A O no hydrogen 3.094 N/A LEU 245.A N VAL 241.A O no hydrogen 3.039 N/A ASP 246.A N ALA 243.A O no hydrogen 2.971 N/A LEU 247.A N CYS 242.A O no hydrogen 3.093 N/A ASP 248.A N GLU 188.A OE1 no hydrogen 2.689 N/A