Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ALA 1.A O no hydrogen 2.788 N/A HIS 6.A N CYS 3.A O no hydrogen 2.801 N/A CYS 8.A SG HIS 6.A ND1 no hydrogen 3.927 N/A LYS 12.A N LYS 9.A O no hydrogen 3.169 N/A LYS 12.A NZ GLU 64.A OE1 no hydrogen 3.167 N/A LYS 12.A NZ GLU 64.A OE2 no hydrogen 2.800 N/A VAL 13.A N VAL 25.A O no hydrogen 2.663 N/A CYS 14.A SG MET 23.A O no hydrogen 4.022 N/A GLU 15.A N MET 23.A O no hydrogen 2.656 N/A ASP 17.A N THR 21.A O no hydrogen 2.807 N/A ASN 19.A ND2 ASP 17.A OD2 no hydrogen 2.882 N/A ASN 20.A N ASP 17.A O no hydrogen 2.927 N/A THR 21.A N ASP 17.A OD1 no hydrogen 2.661 N/A THR 21.A OG1 ASP 17.A OD1 no hydrogen 3.082 N/A THR 21.A OG1 ASP 17.A OD2 no hydrogen 3.406 N/A MET 23.A N GLU 15.A O no hydrogen 2.642 N/A VAL 25.A N VAL 13.A O no hydrogen 2.647 N/A GLN 27.A N GLY 11.A O no hydrogen 2.864 N/A GLN 27.A NE2 SER 31.A O no hydrogen 3.255 N/A GLN 27.A NE2 SER 31.A OG no hydrogen 3.335 N/A THR 30.A N ASP 28.A OD1 no hydrogen 3.205 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 2.713 N/A SER 31.A N ASP 28.A O no hydrogen 2.691 N/A SER 31.A OG ASP 28.A O no hydrogen 2.471 N/A CYS 32.A N PRO 29.A O no hydrogen 2.993 N/A CYS 32.A SG ASP 28.A O no hydrogen 3.900 N/A ILE 36.A N GLU 40.A OE1 no hydrogen 2.812 N/A GLU 40.A N GLY 37.A O no hydrogen 3.088 N/A LYS 41.A N GLU 38.A O no hydrogen 2.934 N/A LYS 41.A NZ ASP 51.A OD1 no hydrogen 2.831 N/A VAL 42.A N PHE 50.A O no hydrogen 3.109 N/A CYS 43.A N TYR 76.A O no hydrogen 2.856 N/A CYS 43.A SG SER 44.A O no hydrogen 3.463 N/A CYS 43.A SG ASN 47.A OD1 no hydrogen 3.876 N/A CYS 43.A SG TYR 76.A OH no hydrogen 3.742 N/A SER 44.A N LYS 48.A O no hydrogen 2.850 N/A SER 44.A OG ASP 46.A OD1 no hydrogen 2.717 N/A SER 44.A OG LYS 48.A O no hydrogen 2.795 N/A ASN 45.A N HIS 73.A O no hydrogen 2.664 N/A ASN 45.A ND2 LYS 71.A O no hydrogen 2.830 N/A LYS 48.A N SER 44.A OG no hydrogen 3.008 N/A THR 49.A OG1 PHE 50.A O no hydrogen 3.499 N/A SER 52.A OG HIS 55.A ND1 no hydrogen 2.795 N/A HIS 55.A N SER 52.A OG no hydrogen 3.161 N/A PHE 56.A N SER 52.A O no hydrogen 2.919 N/A PHE 57.A N SER 53.A O no hydrogen 2.704 N/A ALA 58.A N CYS 54.A O no hydrogen 3.001 N/A THR 59.A N HIS 55.A O no hydrogen 2.982 N/A THR 59.A OG1 HIS 55.A O no hydrogen 3.211 N/A LYS 60.A N PHE 56.A O no hydrogen 2.854 N/A LYS 60.A NZ LEU 72.A O no hydrogen 2.485 N/A CYS 61.A N ALA 58.A O no hydrogen 3.261 N/A CYS 61.A SG GLY 11.A O no hydrogen 3.413 N/A THR 62.A N THR 59.A O no hydrogen 3.043 N/A THR 62.A OG1 THR 59.A O no hydrogen 2.820 N/A GLU 64.A N CYS 61.A O no hydrogen 2.976 N/A THR 66.A N LEU 63.A O no hydrogen 2.887 N/A HIS 70.A N THR 66.A O no hydrogen 2.920 N/A LYS 71.A N LYS 67.A O no hydrogen 3.034 N/A LEU 72.A N GLY 69.A O no hydrogen 3.168 N/A HIS 73.A N ASN 45.A OD1 no hydrogen 3.321 N/A HIS 73.A ND1 THR 173.A OG1 no hydrogen 2.897 N/A LEU 74.A N THR 173.A OG1 no hydrogen 3.241 N/A ASP 75.A N CYS 43.A O no hydrogen 2.774 N/A TYR 76.A N CYS 43.A O no hydrogen 3.196 N/A GLY 78.A N LYS 41.A O no hydrogen 2.528 N/A LYS 81.A N TYR 76.A OH no hydrogen 2.977 N/A CYS 86.A SG LEU 87.A O no hydrogen 3.613 N/A LEU 87.A N GLU 90.A OE1 no hydrogen 3.312 N/A LEU 91.A N LEU 87.A O no hydrogen 3.077 N/A THR 92.A N SER 89.A O no hydrogen 2.890 N/A THR 92.A OG1 ASP 88.A O no hydrogen 2.610 N/A THR 92.A OG1 SER 89.A O no hydrogen 2.840 N/A GLU 93.A N SER 89.A O no hydrogen 3.233 N/A GLU 93.A N GLU 90.A O no hydrogen 2.956 N/A PHE 94.A N GLU 90.A O no hydrogen 2.943 N/A ARG 97.A N GLU 93.A O no hydrogen 2.890 N/A ARG 97.A NE GLU 93.A OE1 no hydrogen 2.865 N/A ARG 97.A NH2 GLU 93.A OE1 no hydrogen 2.764 N/A ARG 97.A NH2 GLU 93.A OE2 no hydrogen 3.061 N/A MET 98.A N PHE 94.A O no hydrogen 2.765 N/A ARG 99.A N PRO 95.A O no hydrogen 3.054 N/A ARG 99.A NH1 PHE 213.A O no hydrogen 2.747 N/A TRP 101.A N ARG 97.A O no hydrogen 3.044 N/A LEU 102.A N MET 98.A O no hydrogen 2.784 N/A LYS 103.A N ARG 99.A O no hydrogen 3.184 N/A LYS 103.A NZ ASN 104.A OD1 no hydrogen 2.626 N/A LYS 103.A NZ GLU 134.A OE1 no hydrogen 3.009 N/A LYS 103.A NZ GLU 134.A OE2 no hydrogen 2.690 N/A ASN 104.A N ASP 100.A O no hydrogen 2.958 N/A VAL 105.A N TRP 101.A O no hydrogen 2.787 N/A LEU 106.A N LEU 102.A O no hydrogen 2.958 N/A VAL 107.A N LYS 103.A O no hydrogen 2.907 N/A THR 108.A N ASN 104.A O no hydrogen 3.180 N/A LEU 109.A N VAL 105.A O no hydrogen 3.067 N/A TYR 110.A N LEU 106.A O no hydrogen 2.993 N/A GLU 111.A N ASP 115.A OD2 no hydrogen 2.884 N/A ARG 112.A N ASP 115.A OD2 no hydrogen 2.700 N/A ASP 115.A N ARG 112.A O no hydrogen 2.746 N/A ASN 116.A N ARG 112.A O no hydrogen 2.991 N/A ASN 116.A ND2 ARG 112.A O no hydrogen 2.587 N/A ASN 117.A ND2 GLU 114.A O no hydrogen 2.798 N/A THR 120.A N GLN 123.A OE1 no hydrogen 3.087 N/A LYS 122.A NZ ASP 221.A OD1 no hydrogen 3.185 N/A LYS 122.A NZ ASP 221.A OD2 no hydrogen 2.636 N/A LYS 122.A NZ ASP 223.A OD2 no hydrogen 2.605 N/A GLN 123.A N THR 120.A OG1 no hydrogen 3.418 N/A GLN 123.A NE2 ASP 223.A O no hydrogen 2.930 N/A GLN 123.A NE2 ILE 226.A O no hydrogen 2.818 N/A LYS 124.A N THR 120.A O no hydrogen 2.889 N/A LYS 124.A NZ LEU 119.A O no hydrogen 2.712 N/A LYS 124.A NZ GLU 121.A OE2 no hydrogen 2.771 N/A LEU 125.A N GLU 121.A O no hydrogen 2.894 N/A ARG 126.A N LYS 122.A O no hydrogen 3.235 N/A VAL 127.A N GLN 123.A O no hydrogen 3.062 N/A LYS 128.A N LYS 124.A O no hydrogen 3.049 N/A LYS 128.A NZ GLU 132.A OE2 no hydrogen 2.526 N/A LYS 129.A N LEU 125.A O no hydrogen 3.057 N/A LYS 129.A NZ GLU 132.A OE1 no hydrogen 2.650 N/A LYS 129.A NZ GLU 132.A OE2 no hydrogen 3.220 N/A ILE 130.A N ARG 126.A O no hydrogen 2.948 N/A HIS 131.A N VAL 127.A O no hydrogen 2.814 N/A HIS 131.A NE2 TYR 110.A O no hydrogen 2.577 N/A GLU 132.A N LYS 128.A O no hydrogen 2.824 N/A ASN 133.A N LYS 129.A O no hydrogen 2.863 N/A GLU 134.A N ILE 130.A O no hydrogen 2.874 N/A LYS 135.A N HIS 131.A O no hydrogen 3.112 N/A ARG 136.A N GLU 132.A O no hydrogen 3.253 N/A ARG 136.A NH1 GLU 144.A OE1 no hydrogen 2.606 N/A ARG 136.A NH2 GLU 144.A OE1 no hydrogen 3.453 N/A ARG 136.A NH2 GLU 144.A OE2 no hydrogen 2.785 N/A LEU 137.A N ASN 133.A O no hydrogen 2.879 N/A GLU 138.A N GLU 134.A O no hydrogen 3.108 N/A GLU 138.A N LYS 135.A O no hydrogen 3.176 N/A ALA 139.A N ARG 136.A O no hydrogen 2.919 N/A GLY 140.A N ARG 136.A O no hydrogen 2.806 N/A ASN 146.A ND2 LYS 145.A O no hydrogen 3.215 N/A TYR 147.A OH ASP 219.A OD2 no hydrogen 2.747 N/A ASN 148.A ND2 ASN 146.A OD1 no hydrogen 3.138 N/A MET 149.A N ASN 146.A O no hydrogen 3.305 N/A TYR 150.A N TYR 147.A O no hydrogen 2.864 N/A TYR 150.A OH ASP 100.A OD1 no hydrogen 2.725 N/A ILE 151.A N ASN 148.A O no hydrogen 3.018 N/A VAL 154.A N TYR 150.A O no hydrogen 3.002 N/A HIS 155.A N ILE 151.A O no hydrogen 3.057 N/A TRP 156.A N PHE 152.A O no hydrogen 2.698 N/A TRP 156.A NE1 TYR 110.A OH no hydrogen 2.904 N/A GLN 157.A N PRO 153.A O no hydrogen 2.965 N/A PHE 158.A N VAL 154.A O no hydrogen 3.398 N/A GLY 159.A N HIS 155.A O no hydrogen 3.209 N/A GLN 160.A N TRP 156.A O no hydrogen 2.973 N/A LEU 161.A N GLN 157.A O no hydrogen 3.027 N/A ASP 162.A N PHE 158.A O no hydrogen 2.827 N/A GLN 163.A N GLU 174.A OE2 no hydrogen 3.017 N/A GLN 163.A NE2 GLY 159.A O no hydrogen 2.764 N/A GLN 163.A NE2 GLN 160.A O no hydrogen 3.314 N/A ASP 167.A N ASP 162.A OD1 no hydrogen 3.063 N/A GLY 168.A N ASP 162.A OD1 no hydrogen 3.243 N/A GLY 168.A N ASP 162.A OD2 no hydrogen 2.932 N/A TYR 169.A N ASP 167.A OD1 no hydrogen 2.983 N/A LEU 170.A N ILE 204.A O no hydrogen 2.907 N/A SER 171.A N GLU 174.A OE1 no hydrogen 2.976 N/A SER 171.A OG GLU 174.A OE1 no hydrogen 3.505 N/A HIS 172.A NE2 ASP 75.A OD1 no hydrogen 2.679 N/A THR 173.A OG1 HIS 73.A ND1 no hydrogen 2.897 N/A GLU 174.A N SER 171.A OG no hydrogen 3.351 N/A LEU 175.A N SER 171.A O no hydrogen 3.103 N/A ALA 176.A N THR 173.A O no hydrogen 2.956 N/A LEU 178.A N LEU 175.A O no hydrogen 2.813 N/A ARG 179.A N ALA 176.A O no hydrogen 2.858 N/A ARG 179.A NE THR 190.A OG1 no hydrogen 2.946 N/A ARG 179.A NH1 ASP 75.A O no hydrogen 2.814 N/A ARG 179.A NH1 HIS 172.A O no hydrogen 2.759 N/A ARG 179.A NH2 HIS 172.A O no hydrogen 3.203 N/A ALA 180.A N PRO 177.A O no hydrogen 3.452 N/A ILE 183.A N ALA 180.A O no hydrogen 2.980 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.719 N/A HIS 187.A NE2 GLU 90.A OE1 no hydrogen 2.659 N/A CYS 188.A N MET 185.A O no hydrogen 2.867 N/A THR 189.A N GLU 186.A O no hydrogen 2.938 N/A THR 189.A OG1 LEU 178.A O no hydrogen 3.012 N/A THR 189.A OG1 GLU 186.A O no hydrogen 2.793 N/A ARG 191.A NH1 CYS 86.A O no hydrogen 2.469 N/A ARG 191.A NH1 ASP 88.A OD1 no hydrogen 3.569 N/A ARG 191.A NH2 ASP 88.A OD2 no hydrogen 2.786 N/A PHE 192.A N CYS 188.A O no hydrogen 2.731 N/A PHE 193.A N THR 189.A O no hydrogen 2.829 N/A GLU 194.A N THR 190.A O no hydrogen 2.902 N/A THR 195.A N ARG 191.A O no hydrogen 3.000 N/A THR 195.A OG1 ARG 191.A O no hydrogen 3.440 N/A CYS 196.A N PHE 192.A O no hydrogen 3.009 N/A CYS 196.A SG PHE 192.A O no hydrogen 3.247 N/A ASP 197.A N PHE 193.A O no hydrogen 2.890 N/A ASP 197.A N GLU 194.A O no hydrogen 2.847 N/A LEU 198.A N CYS 196.A O no hydrogen 2.669 N/A ASN 200.A N ASP 197.A O no hydrogen 3.089 N/A ASN 200.A ND2 ASN 200.A O no hydrogen 2.865 N/A ASP 201.A N ASP 197.A OD1 no hydrogen 3.193 N/A LYS 202.A N ASP 197.A OD2 no hydrogen 2.873 N/A TYR 203.A N ASP 201.A OD1 no hydrogen 2.876 N/A ILE 204.A N LEU 170.A O no hydrogen 3.043 N/A ALA 205.A N GLU 208.A OE1 no hydrogen 2.859 N/A TRP 209.A N ALA 205.A O no hydrogen 2.769 N/A TRP 209.A NE1 VAL 154.A O no hydrogen 2.738 N/A ALA 210.A N LEU 206.A O no hydrogen 2.753 N/A GLY 211.A N ASP 207.A O no hydrogen 2.853 N/A CYS 212.A N GLU 208.A O no hydrogen 2.972 N/A PHE 213.A N ALA 210.A O no hydrogen 2.853 N/A GLY 214.A N GLY 211.A O no hydrogen 2.822 N/A ILE 215.A N ALA 210.A O no hydrogen 3.199 N/A LYS 216.A N TYR 147.A OH no hydrogen 2.807 N/A ASP 219.A N LYS 216.A O no hydrogen 2.909 N/A ILE 220.A N GLN 217.A O no hydrogen 3.415 N/A ASP 223.A N ASP 221.A OD1 no hydrogen 2.992 N/A VAL 225.A N LYS 222.A O no hydrogen 2.815 N/A ILE 226.A N ASP 223.A O no hydrogen 3.013 N/A