Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4irs_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASN 23.A O no hydrogen 2.937 N/A THR 4.A OG1 ASN 23.A O no hydrogen 3.182 N/A GLN 5.A NE2 TYR 88.A O no hydrogen 2.864 N/A GLN 5.A NE2 THR 105.A OG1 no hydrogen 2.883 N/A SER 6.A N SER 21.A O no hydrogen 3.072 N/A ARG 8.A NE GLY 104.A O no hydrogen 2.993 N/A LYS 10.A N ARG 106.A O no hydrogen 2.857 N/A ALA 12.A N LEU 108.A O no hydrogen 2.924 N/A THR 14.A N LEU 110.A O no hydrogen 2.923 N/A THR 14.A OG1 LEU 110.A O no hydrogen 3.224 N/A GLY 15.A N ALA 80.A O no hydrogen 2.999 N/A GLY 16.A N VAL 13.A O no hydrogen 3.176 N/A VAL 18.A N LEU 77.A O no hydrogen 2.942 N/A LEU 20.A N LEU 75.A O no hydrogen 2.657 N/A SER 21.A N SER 6.A O no hydrogen 2.960 N/A CYS 22.A N PHE 73.A O no hydrogen 2.810 N/A CYS 22.A SG THR 4.A O no hydrogen 3.623 N/A ASN 23.A N THR 4.A O no hydrogen 2.883 N/A GLN 24.A N GLU 71.A O no hydrogen 3.034 N/A GLN 24.A NE2 HIS 28.A O no hydrogen 3.690 N/A ASN 26.A ND2 ALA 2.A O no hydrogen 3.259 N/A HIS 28.A ND1 SER 92.A OG no hydrogen 2.800 N/A ASN 30.A N GLY 93.A O no hydrogen 3.146 N/A ASN 30.A ND2 GLY 93.A O no hydrogen 3.107 N/A ASN 30.A ND2 ASP 94.A O no hydrogen 2.871 N/A MET 31.A N SER 48.A O no hydrogen 2.958 N/A TYR 32.A N ALA 91.A O no hydrogen 2.727 N/A TRP 33.A N HIS 46.A O no hydrogen 3.067 N/A TYR 34.A N PHE 89.A O no hydrogen 2.644 N/A TYR 34.A OH GLN 99.A OE1 no hydrogen 2.715 N/A ARG 35.A N ARG 43.A O no hydrogen 3.202 N/A ARG 35.A NE ASP 37.A OD2 no hydrogen 2.889 N/A ARG 35.A NH1 SER 83.A O no hydrogen 3.164 N/A ARG 35.A NH2 ASP 37.A OD1 no hydrogen 3.175 N/A ARG 35.A NH2 SER 83.A O no hydrogen 2.858 N/A GLN 36.A N VAL 87.A O no hydrogen 2.794 N/A HIS 40.A N ASP 37.A O no hydrogen 2.798 N/A ARG 43.A N ARG 35.A O no hydrogen 3.051 N/A ARG 43.A NH2 ASP 37.A OD2 no hydrogen 2.994 N/A ILE 45.A N TRP 33.A O no hydrogen 2.925 N/A HIS 46.A NE2 TYR 63.A O no hydrogen 2.914 N/A TYR 47.A N GLU 55.A O no hydrogen 2.860 N/A SER 48.A N MET 31.A O no hydrogen 2.830 N/A SER 48.A OG SER 53.A O no hydrogen 2.561 N/A GLY 50.A N SER 48.A OG no hydrogen 3.309 N/A GLY 52.A N ARG 67.A O no hydrogen 2.772 N/A SER 53.A N GLY 50.A O no hydrogen 2.936 N/A GLU 55.A N TYR 47.A O no hydrogen 2.611 N/A GLY 57.A N ILE 45.A O no hydrogen 2.582 N/A ILE 59.A N LEU 44.A O no hydrogen 2.931 N/A TYR 63.A N PRO 60.A O no hydrogen 3.113 N/A TYR 63.A OH TYR 88.A OH no hydrogen 2.529 N/A LYS 64.A N ILE 76.A O no hydrogen 2.903 N/A SER 66.A N SER 74.A O no hydrogen 3.064 N/A ARG 67.A NE SER 69.A O no hydrogen 2.988 N/A ARG 67.A NH1 ASN 29.A O no hydrogen 3.097 N/A ARG 67.A NH1 SER 48.A OG no hydrogen 2.755 N/A ARG 67.A NH2 ASN 29.A O no hydrogen 3.441 N/A ARG 67.A NH2 GLN 70.A O no hydrogen 2.645 N/A SER 69.A OG GLU 71.A OE1 no hydrogen 3.297 N/A GLN 70.A NE2 ASN 27.A O no hydrogen 3.224 N/A GLN 70.A NE2 ASN 27.A OD1 no hydrogen 3.291 N/A GLN 70.A NE2 ASN 29.A OD1 no hydrogen 2.807 N/A PHE 73.A N CYS 22.A O no hydrogen 3.063 N/A SER 74.A N SER 66.A O no hydrogen 3.042 N/A LEU 75.A N LEU 20.A O no hydrogen 2.633 N/A ILE 76.A N LYS 64.A O no hydrogen 2.816 N/A LEU 77.A N VAL 18.A O no hydrogen 2.778 N/A ALA 80.A N GLY 16.A O no hydrogen 3.048 N/A THR 81.A N GLN 84.A OE1 no hydrogen 3.064 N/A SER 83.A OG THR 81.A OG1 no hydrogen 2.981 N/A GLN 84.A N THR 81.A O no hydrogen 2.802 N/A GLN 84.A NE2 GLY 62.A O no hydrogen 3.285 N/A THR 85.A N PRO 82.A O no hydrogen 2.951 N/A THR 85.A OG1 PRO 82.A O no hydrogen 3.121 N/A SER 86.A N LEU 107.A O no hydrogen 3.074 N/A SER 86.A OG GLN 36.A O no hydrogen 2.977 N/A SER 86.A OG ASP 37.A OD1 no hydrogen 2.667 N/A SER 86.A OG VAL 87.A O no hydrogen 3.556 N/A TYR 88.A N THR 105.A O no hydrogen 2.804 N/A TYR 88.A OH TYR 63.A OH no hydrogen 2.529 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.489 N/A PHE 89.A N TYR 34.A O no hydrogen 2.749 N/A CYS 90.A N GLN 5.A OE1 no hydrogen 3.269 N/A CYS 90.A SG TYR 32.A O no hydrogen 3.745 N/A CYS 90.A SG ALA 91.A O no hydrogen 3.983 N/A ALA 91.A N TYR 32.A O no hydrogen 2.688 N/A SER 92.A N TYR 100.A O no hydrogen 3.034 N/A SER 92.A OG HIS 28.A ND1 no hydrogen 2.800 N/A GLY 93.A N ASN 30.A O no hydrogen 2.853 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.709 N/A GLY 96.A N ASP 94.A OD1 no hydrogen 3.124 N/A TYR 100.A N SER 92.A O no hydrogen 2.785 N/A GLY 102.A N CYS 90.A O no hydrogen 2.728 N/A GLY 104.A N GLN 5.A OE1 no hydrogen 2.998 N/A THR 105.A N TYR 88.A O no hydrogen 3.000 N/A THR 105.A OG1 PRO 7.A O no hydrogen 2.802 N/A ARG 106.A N ARG 8.A O no hydrogen 3.161 N/A LEU 107.A N SER 86.A O no hydrogen 2.801 N/A LEU 108.A N LYS 10.A O no hydrogen 2.957 N/A VAL 109.A N THR 85.A OG1 no hydrogen 2.818 N/A LEU 110.A N ALA 12.A O no hydrogen 2.757 N/A ARG 114.A N ASP 112.A OD1 no hydrogen 3.336 N/A VAL 116.A N LEU 113.A O no hydrogen 3.173 N/A THR 117.A N TYR 147.A O no hydrogen 2.864 N/A THR 117.A OG1 ASN 115.A O no hydrogen 2.846 N/A LYS 120.A N THR 144.A O no hydrogen 2.888 N/A SER 122.A N LEU 142.A O no hydrogen 2.900 N/A PHE 124.A N VAL 140.A O no hydrogen 2.664 N/A ALA 129.A N SER 127.A OG no hydrogen 3.155 N/A GLU 130.A N SER 127.A OG no hydrogen 3.352 N/A ILE 131.A N SER 127.A O no hydrogen 3.056 N/A SER 132.A N LYS 128.A O no hydrogen 3.161 N/A SER 132.A OG LYS 128.A O no hydrogen 3.237 N/A SER 132.A OG ALA 129.A O no hydrogen 2.857 N/A HIS 133.A N ALA 129.A O no hydrogen 2.934 N/A HIS 133.A N GLU 130.A O no hydrogen 3.248 N/A THR 134.A N GLU 130.A O no hydrogen 3.002 N/A THR 134.A OG1 GLU 130.A O no hydrogen 2.654 N/A GLN 135.A N ILE 131.A O no hydrogen 2.896 N/A LYS 136.A N THR 134.A OG1 no hydrogen 2.930 N/A LYS 136.A NZ THR 134.A O no hydrogen 3.354 N/A ALA 137.A N VAL 192.A O no hydrogen 2.684 N/A THR 138.A N GLU 130.A OE1 no hydrogen 2.960 N/A THR 138.A OG1 GLU 130.A OE1 no hydrogen 3.429 N/A THR 138.A OG1 GLU 130.A OE2 no hydrogen 2.342 N/A LEU 139.A N LEU 190.A O no hydrogen 2.876 N/A VAL 140.A N PHE 124.A O no hydrogen 3.130 N/A CYS 141.A N SER 188.A O no hydrogen 2.934 N/A CYS 141.A SG SER 122.A O no hydrogen 3.725 N/A LEU 142.A N SER 122.A O no hydrogen 2.892 N/A ALA 143.A N LEU 186.A O no hydrogen 2.768 N/A THR 144.A N LYS 120.A O no hydrogen 3.018 N/A GLY 145.A N GLU 175.A OE2 no hydrogen 2.852 N/A PHE 146.A N TYR 184.A O no hydrogen 3.324 N/A TYR 147.A N THR 117.A O no hydrogen 3.065 N/A HIS 150.A ND1 ASN 9.A OD1 no hydrogen 2.517 N/A GLU 152.A N GLN 209.A O no hydrogen 3.014 N/A SER 154.A N GLN 207.A O no hydrogen 2.731 N/A TRP 155.A NE1 SER 188.A OG no hydrogen 2.995 N/A TRP 156.A N ARG 205.A O no hydrogen 2.890 N/A TRP 156.A NE1 SER 154.A OG no hydrogen 2.905 N/A VAL 157.A N LYS 160.A O no hydrogen 2.776 N/A ASN 158.A N HIS 203.A O no hydrogen 2.989 N/A ASN 158.A ND2 ASN 202.A OD1 no hydrogen 3.284 N/A LYS 160.A N VAL 157.A O no hydrogen 3.033 N/A VAL 162.A N TRP 155.A O no hydrogen 2.903 N/A VAL 166.A N HIS 163.A O no hydrogen 3.284 N/A CYS 167.A N ARG 189.A O no hydrogen 2.988 N/A THR 168.A OG1 SER 188.A OG no hydrogen 2.631 N/A ASP 169.A N SER 187.A O no hydrogen 3.328 N/A GLN 171.A NE2 PRO 172.A O no hydrogen 3.432 N/A LEU 173.A N SER 185.A O no hydrogen 2.766 N/A GLU 175.A N ARG 183.A O no hydrogen 3.036 N/A LEU 179.A N GLN 176.A O no hydrogen 2.940 N/A SER 182.A OG ARG 183.A O no hydrogen 2.646 N/A TYR 184.A N PHE 146.A O no hydrogen 2.619 N/A SER 185.A N LEU 173.A O no hydrogen 2.861 N/A SER 185.A OG GLU 175.A OE2 no hydrogen 2.195 N/A SER 185.A OG TYR 184.A O no hydrogen 3.046 N/A LEU 186.A N ALA 143.A O no hydrogen 2.774 N/A SER 187.A N ASP 169.A OD2 no hydrogen 2.879 N/A SER 187.A OG ASP 169.A OD1 no hydrogen 2.950 N/A SER 187.A OG ASP 169.A OD2 no hydrogen 2.791 N/A SER 188.A N CYS 141.A O no hydrogen 2.977 N/A SER 188.A OG CYS 167.A O no hydrogen 3.134 N/A SER 188.A OG THR 168.A OG1 no hydrogen 2.631 N/A ARG 189.A N CYS 167.A O no hydrogen 2.863 N/A LEU 190.A N LEU 139.A O no hydrogen 3.082 N/A ARG 191.A N GLY 165.A O no hydrogen 2.878 N/A ARG 191.A NE GLU 130.A OE2 no hydrogen 3.293 N/A ARG 191.A NH1 GLU 130.A OE2 no hydrogen 3.448 N/A VAL 192.A N ALA 137.A O no hydrogen 2.837 N/A ALA 194.A N GLN 135.A O no hydrogen 3.085 N/A PHE 196.A N SER 193.A O no hydrogen 2.810 N/A PHE 196.A N SER 193.A OG no hydrogen 3.223 N/A TRP 197.A N SER 193.A O no hydrogen 3.181 N/A GLN 198.A N ALA 194.A O no hydrogen 2.738 N/A ASN 199.A N PHE 196.A O no hydrogen 3.372 N/A ARG 201.A N ASN 199.A OD1 no hydrogen 2.954 N/A ASN 202.A N ASN 199.A O no hydrogen 3.199 N/A ASN 202.A ND2 PHE 196.A O no hydrogen 3.093 N/A HIS 203.A N ASN 158.A OD1 no hydrogen 3.127 N/A HIS 203.A NE2 GLU 234.A OE1 no hydrogen 2.926 N/A PHE 204.A N ALA 235.A O no hydrogen 2.777 N/A ARG 205.A N TRP 156.A O no hydrogen 2.926 N/A ARG 205.A NH2 SER 232.A OG no hydrogen 2.662 N/A CYS 206.A N ALA 233.A O no hydrogen 2.851 N/A GLN 207.A N SER 154.A O no hydrogen 2.852 N/A VAL 208.A N VAL 231.A O no hydrogen 2.866 N/A GLN 209.A N GLU 152.A O no hydrogen 2.780 N/A PHE 210.A N GLN 229.A O no hydrogen 2.843 N/A TYR 211.A N HIS 150.A O no hydrogen 3.147 N/A TYR 211.A OH GLU 152.A OE1 no hydrogen 3.078 N/A GLY 212.A N THR 228.A OG1 no hydrogen 3.148 N/A LEU 213.A N PRO 226.A O no hydrogen 3.028 N/A SER 214.A N ASP 217.A OD2 no hydrogen 2.874 N/A SER 214.A OG ASN 216.A OD1 no hydrogen 3.144 N/A ASN 216.A N SER 214.A OG no hydrogen 3.317 N/A ASP 217.A N SER 214.A O no hydrogen 3.147 N/A TRP 219.A NE1 ARG 223.A O no hydrogen 2.883 N/A GLN 221.A NE2 ARG 114.A O no hydrogen 2.922 N/A ARG 223.A NE GLN 221.A OE1 no hydrogen 3.088 N/A ARG 223.A NH1 VAL 116.A O no hydrogen 2.648 N/A ARG 223.A NH2 ARG 114.A O no hydrogen 2.967 N/A ARG 223.A NH2 VAL 116.A O no hydrogen 2.759 N/A LYS 225.A NZ GLU 215.A O no hydrogen 3.128 N/A LYS 225.A NZ ASP 217.A O no hydrogen 2.680 N/A VAL 227.A N LYS 225.A O no hydrogen 2.649 N/A THR 228.A N LEU 213.A O no hydrogen 2.900 N/A THR 228.A OG1 LEU 213.A O no hydrogen 3.343 N/A GLN 229.A N PHE 210.A O no hydrogen 3.146 N/A VAL 231.A N VAL 208.A O no hydrogen 2.962 N/A ALA 233.A N CYS 206.A O no hydrogen 2.973 N/A ALA 235.A N PHE 204.A O no hydrogen 2.827 N/A GLY 237.A N ASN 202.A O no hydrogen 2.873 N/A ARG 238.A NE GLU 125.A OE1 no hydrogen 2.777 N/A