Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD2 no hydrogen 2.742 N/A ASP 1.A N ASP 4.A OD2 no hydrogen 2.620 N/A LYS 3.A N ASP 1.A OD2 no hydrogen 3.306 N/A ASP 5.A N TYR 2.A O no hydrogen 3.278 N/A ASP 6.A N TYR 2.A O no hydrogen 2.784 N/A ASP 7.A N LYS 3.A O no hydrogen 2.742 N/A LEU 9.A N ASP 5.A O no hydrogen 3.232 N/A HIS 10.A N ASP 6.A O no hydrogen 2.723 N/A SER 11.A N ASP 7.A O no hydrogen 2.926 N/A SER 11.A OG LYS 8.A O no hydrogen 3.229 N/A GLN 12.A N LYS 8.A O no hydrogen 2.973 N/A ALA 13.A N LEU 9.A O no hydrogen 2.870 N/A ASN 14.A N HIS 10.A O no hydrogen 2.952 N/A LEU 15.A N SER 11.A O no hydrogen 3.339 N/A MET 16.A N GLN 12.A O no hydrogen 2.938 N/A ARG 17.A N ALA 13.A O no hydrogen 2.864 N/A ARG 17.A NH1 GLU 80.A O no hydrogen 3.350 N/A ARG 17.A NH2 ASN 14.A OD1 no hydrogen 3.521 N/A ARG 17.A NH2 GLU 80.A O no hydrogen 2.692 N/A LEU 18.A N ASN 14.A O no hydrogen 2.991 N/A LYS 19.A N LEU 15.A O no hydrogen 2.890 N/A SER 20.A N MET 16.A O no hydrogen 2.841 N/A ASP 21.A N ARG 17.A O no hydrogen 2.834 N/A LEU 22.A N LEU 18.A O no hydrogen 2.791 N/A PHE 23.A N LYS 19.A O no hydrogen 2.820 N/A ASN 24.A N SER 20.A O no hydrogen 3.131 N/A THR 33.A N ASP 36.A O no hydrogen 3.350 N/A ASP 36.A N THR 33.A O no hydrogen 3.065 N/A LEU 38.A N GLU 162.A O no hydrogen 2.907 N/A VAL 40.A N ASP 164.A O no hydrogen 2.788 N/A THR 41.A N ARG 68.A O no hydrogen 2.793 N/A LEU 42.A N LYS 166.A O no hydrogen 2.830 N/A GLY 43.A N GLN 66.A O no hydrogen 3.152 N/A PHE 44.A N GLN 190.A OE1 no hydrogen 2.748 N/A THR 45.A N TYR 64.A O no hydrogen 2.971 N/A THR 45.A OG1 ASP 173.A OD2 no hydrogen 3.037 N/A LEU 46.A N ASP 173.A O no hydrogen 3.122 N/A GLN 47.A N VAL 62.A O no hydrogen 2.904 N/A ASP 48.A N VAL 62.A O no hydrogen 3.203 N/A ILE 49.A N TYR 177.A OH no hydrogen 3.226 N/A VAL 50.A N ASP 60.A O no hydrogen 2.959 N/A ASP 53.A N GLU 58.A O no hydrogen 2.824 N/A SER 55.A N ASP 53.A OD1 no hydrogen 2.898 N/A SER 55.A OG ASP 53.A OD1 no hydrogen 2.491 N/A THR 56.A N ASP 53.A OD1 no hydrogen 3.266 N/A THR 56.A OG1 GLU 58.A OE1 no hydrogen 2.878 N/A GLU 58.A N ASP 53.A O no hydrogen 3.222 N/A VAL 59.A N PHE 134.A O no hydrogen 2.968 N/A ASP 60.A N LYS 51.A O no hydrogen 2.906 N/A LEU 61.A N LEU 132.A O no hydrogen 2.956 N/A VAL 62.A N ASP 48.A O no hydrogen 2.885 N/A TYR 63.A N GLN 130.A O no hydrogen 3.071 N/A TYR 63.A OH GLN 130.A OE1 no hydrogen 3.031 N/A TYR 64.A N THR 45.A O no hydrogen 2.775 N/A GLU 65.A N PRO 128.A O no hydrogen 3.104 N/A GLN 66.A N GLY 43.A O no hydrogen 2.898 N/A GLN 67.A N PHE 126.A O no hydrogen 2.771 N/A GLN 67.A NE2 GLU 65.A OE2 no hydrogen 2.733 N/A ARG 68.A N THR 41.A O no hydrogen 3.114 N/A TRP 69.A N VAL 124.A O no hydrogen 3.320 N/A LEU 71.A N GLY 122.A O no hydrogen 2.848 N/A LEU 74.A N LEU 71.A O no hydrogen 3.063 N/A MET 75.A N ASN 72.A O no hydrogen 3.089 N/A TRP 76.A N HIS 120.A O no hydrogen 2.949 N/A TRP 76.A NE1 ILE 84.A O no hydrogen 2.884 N/A ASN 79.A N ASP 77.A OD1 no hydrogen 3.185 N/A GLU 80.A N ASP 77.A O no hydrogen 2.891 N/A TYR 81.A N PRO 78.A O no hydrogen 3.041 N/A TYR 81.A OH ASP 21.A OD2 no hydrogen 2.677 N/A ASN 83.A N PRO 78.A O no hydrogen 2.715 N/A ILE 84.A N TYR 81.A O no hydrogen 3.076 N/A THR 85.A OG1 ASP 86.A OD1 no hydrogen 2.733 N/A PHE 87.A N VAL 118.A O no hydrogen 2.882 N/A THR 89.A N ALA 116.A O no hydrogen 3.024 N/A THR 89.A OG1 ASP 93.A OD2 no hydrogen 3.100 N/A ALA 91.A N GLN 114.A O no hydrogen 2.920 N/A ALA 92.A N SER 90.A OG no hydrogen 3.236 N/A ASP 93.A N SER 90.A O no hydrogen 2.890 N/A ILE 94.A N ALA 91.A O no hydrogen 3.473 N/A THR 100.A N GLY 154.A O no hydrogen 2.777 N/A THR 100.A OG1 ASP 98.A O no hydrogen 3.052 N/A TYR 102.A N LYS 152.A O no hydrogen 2.802 N/A TYR 102.A OH SER 155.A O no hydrogen 2.823 N/A THR 105.A N SER 133.A O no hydrogen 2.690 N/A THR 105.A OG1 GLU 58.A OE2 no hydrogen 2.778 N/A GLN 109.A N ARG 131.A O no hydrogen 3.031 N/A LEU 111.A N ALA 129.A O no hydrogen 2.759 N/A SER 112.A OG PRO 113.A O no hydrogen 3.348 N/A ALA 116.A N THR 89.A O no hydrogen 2.851 N/A VAL 117.A N MET 125.A O no hydrogen 2.927 N/A VAL 118.A N PHE 87.A O no hydrogen 2.856 N/A THR 119.A N SER 123.A O no hydrogen 2.884 N/A HIS 120.A N THR 85.A O no hydrogen 2.941 N/A GLY 122.A N THR 119.A O no hydrogen 2.705 N/A SER 123.A N ASP 121.A OD1 no hydrogen 3.017 N/A SER 123.A OG ASP 121.A OD1 no hydrogen 2.416 N/A SER 123.A OG ASP 121.A OD2 no hydrogen 3.076 N/A VAL 124.A N TRP 69.A O no hydrogen 2.768 N/A MET 125.A N VAL 117.A O no hydrogen 2.857 N/A PHE 126.A N GLN 67.A O no hydrogen 3.076 N/A ALA 129.A N SER 112.A OG no hydrogen 2.911 N/A GLN 130.A N TYR 63.A O no hydrogen 2.938 N/A ARG 131.A N GLN 109.A O no hydrogen 2.873 N/A ARG 131.A NE ASP 60.A OD2 no hydrogen 3.378 N/A ARG 131.A NH2 ASP 60.A OD2 no hydrogen 2.920 N/A LEU 132.A N LEU 61.A O no hydrogen 2.877 N/A SER 133.A OG ASP 60.A OD1 no hydrogen 2.881 N/A PHE 134.A N VAL 59.A O no hydrogen 2.992 N/A MET 135.A N SER 103.A O no hydrogen 3.051 N/A CYS 136.A N ASN 57.A O no hydrogen 2.997 N/A THR 139.A N ASP 137.A OD1 no hydrogen 3.331 N/A THR 139.A OG1 ASP 137.A OD1 no hydrogen 3.060 N/A VAL 141.A N PRO 138.A O no hydrogen 3.209 N/A SER 143.A N GLY 140.A O no hydrogen 2.948 N/A SER 143.A OG GLY 140.A O no hydrogen 2.717 N/A SER 143.A OG GLU 145.A OE2 no hydrogen 3.366 N/A ALA 147.A N PHE 213.A O no hydrogen 2.762 N/A CYS 149.A N VAL 211.A O no hydrogen 2.813 N/A CYS 149.A SG ASP 137.A O no hydrogen 3.845 N/A VAL 151.A N LEU 209.A O no hydrogen 2.903 N/A PHE 153.A N VAL 207.A O no hydrogen 2.793 N/A GLY 154.A N THR 100.A O no hydrogen 2.912 N/A SER 155.A OG ASP 98.A OD1 no hydrogen 2.706 N/A SER 155.A OG ASP 98.A OD2 no hydrogen 3.280 N/A TRP 156.A N ASP 98.A OD2 no hydrogen 2.995 N/A VAL 157.A N ASP 98.A OD2 no hydrogen 3.138 N/A TYR 158.A N SER 155.A OG no hydrogen 2.935 N/A SER 159.A N GLU 162.A OE1 no hydrogen 2.730 N/A SER 159.A OG GLU 162.A OE1 no hydrogen 2.937 N/A GLY 160.A N PRO 203.A O no hydrogen 2.743 N/A PHE 161.A N SER 159.A OG no hydrogen 3.188 N/A GLU 162.A N SER 159.A O no hydrogen 2.969 N/A ILE 163.A N SER 159.A O no hydrogen 2.908 N/A ASP 164.A N LEU 38.A O no hydrogen 2.802 N/A LYS 166.A N VAL 40.A O no hydrogen 3.047 N/A THR 167.A OG1 THR 169.A O no hydrogen 3.458 N/A GLN 171.A N THR 169.A OG1 no hydrogen 3.266 N/A VAL 172.A N ALA 188.A O no hydrogen 3.075 N/A ASP 173.A N PHE 44.A O no hydrogen 2.893 N/A SER 175.A N ASP 173.A OD1 no hydrogen 3.114 N/A SER 175.A OG ASP 173.A OD1 no hydrogen 2.716 N/A SER 175.A OG ASP 173.A OD2 no hydrogen 3.536 N/A TYR 177.A N LEU 174.A O no hydrogen 3.251 N/A TYR 177.A OH SER 181.A OG no hydrogen 3.261 N/A TYR 177.A OH TYR 183.A O no hydrogen 2.623 N/A TYR 178.A N GLN 47.A O no hydrogen 2.659 N/A SER 181.A N TYR 178.A O no hydrogen 3.181 N/A SER 181.A OG ASP 48.A OD1 no hydrogen 2.736 N/A SER 181.A OG ILE 49.A O no hydrogen 3.298 N/A SER 181.A OG TYR 177.A OH no hydrogen 3.261 N/A SER 181.A OG TYR 183.A O no hydrogen 3.016 N/A TYR 183.A N SER 181.A OG no hydrogen 3.082 N/A GLU 184.A N ARG 214.A O no hydrogen 2.910 N/A LEU 186.A N LYS 212.A O no hydrogen 2.649 N/A SER 187.A N LYS 212.A O no hydrogen 3.253 N/A THR 189.A N VAL 210.A O no hydrogen 2.986 N/A GLN 190.A N ASP 170.A O no hydrogen 2.763 N/A GLN 190.A NE2 THR 169.A O no hydrogen 2.832 N/A THR 191.A N ASN 208.A O no hydrogen 3.043 N/A ARG 192.A NE LEU 165.A O no hydrogen 2.789 N/A ARG 192.A NH2 ASP 164.A OD1 no hydrogen 2.820 N/A GLN 193.A N ASP 206.A O no hydrogen 2.829 N/A GLN 193.A NE2 ASP 206.A OD1 no hydrogen 2.536 N/A GLN 195.A N TYR 204.A O no hydrogen 2.772 N/A CYS 200.A N TYR 197.A O no hydrogen 3.114 N/A GLU 202.A N GLU 202.A OE1 no hydrogen 2.726 N/A TYR 204.A N GLN 195.A O no hydrogen 2.951 N/A TYR 204.A OH GLU 202.A OE2 no hydrogen 2.704 N/A ASP 206.A N GLN 193.A O no hydrogen 3.082 N/A VAL 207.A N PHE 153.A O no hydrogen 2.734 N/A ASN 208.A N THR 191.A O no hydrogen 2.627 N/A LEU 209.A N VAL 151.A O no hydrogen 2.838 N/A VAL 210.A N THR 189.A O no hydrogen 2.946 N/A VAL 211.A N CYS 149.A O no hydrogen 2.770 N/A LYS 212.A N SER 187.A O no hydrogen 2.849 N/A PHE 213.A N ALA 147.A O no hydrogen 2.939 N/A ARG 214.A N GLU 184.A O no hydrogen 3.182 N/A ARG 214.A NH2 GLU 144.A O no hydrogen 3.305 N/A GLU 215.A N VAL 141.A O no hydrogen 2.766 N/A ARG 216.A N LYS 182.A O no hydrogen 3.022 N/A ARG 216.A NH1 SER 181.A O no hydrogen 3.497 N/A