Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u3u_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 75.A OE2 no hydrogen 2.668 N/A CYS 4.A N ASN 2.A OD1 no hydrogen 3.014 N/A ARG 5.A N ASN 2.A O no hydrogen 2.906 N/A LEU 6.A N TYR 3.A O no hydrogen 3.401 N/A CYS 8.A SG ASN 12.A O no hydrogen 3.321 N/A ASP 11.A N CYS 8.A O no hydrogen 2.886 N/A HIS 14.A NE2 ASN 96.A O no hydrogen 2.815 N/A VAL 15.A N CYS 94.A O no hydrogen 2.861 N/A GLY 16.A N HIS 14.A ND1 no hydrogen 2.801 N/A CYS 17.A N HIS 14.A O no hydrogen 3.052 N/A TYR 22.A OH THR 32.A OG1 no hydrogen 2.921 N/A ALA 23.A N LYS 85.A O no hydrogen 2.900 N/A CYS 26.A N ALA 23.A O no hydrogen 2.963 N/A CYS 26.A SG LYS 85.A O no hydrogen 3.374 N/A GLY 27.A N GLN 24.A O no hydrogen 2.787 N/A ARG 31.A N THR 173.A O no hydrogen 2.769 N/A THR 32.A N TYR 22.A OH no hydrogen 2.684 N/A THR 32.A OG1 TYR 22.A OH no hydrogen 2.921 N/A THR 32.A OG1 THR 172.A OG1 no hydrogen 3.404 N/A ARG 33.A N LEU 171.A O no hydrogen 2.764 N/A ARG 33.A NH1 THR 173.A OG1 no hydrogen 3.032 N/A LEU 36.A N HIS 39.A ND1 no hydrogen 2.954 N/A ARG 40.A N LEU 36.A O no hydrogen 3.096 N/A ARG 40.A NH1 LEU 35.A O no hydrogen 3.246 N/A ASN 41.A N LYS 37.A O no hydrogen 3.004 N/A GLU 42.A N GLU 38.A O no hydrogen 2.971 N/A ILE 43.A N HIS 39.A O no hydrogen 3.160 N/A LEU 44.A N ARG 40.A O no hydrogen 2.971 N/A SER 45.A N ASN 41.A O no hydrogen 2.803 N/A LYS 46.A N GLU 42.A O no hydrogen 2.949 N/A LYS 46.A NZ GLU 42.A OE2 no hydrogen 2.630 N/A ILE 47.A N ILE 43.A O no hydrogen 3.144 N/A ASN 48.A N LEU 44.A O no hydrogen 2.910 N/A ASN 48.A ND2 VAL 70.A O no hydrogen 3.249 N/A ASP 49.A N SER 45.A O no hydrogen 2.727 N/A VAL 50.A N LYS 46.A O no hydrogen 3.188 N/A ARG 51.A N ILE 47.A O no hydrogen 3.151 N/A ARG 51.A NE LYS 68.A O no hydrogen 3.028 N/A ARG 51.A NH1 ALA 159.A O no hydrogen 2.715 N/A ARG 51.A NH1 SER 161.A O no hydrogen 2.825 N/A ARG 51.A NH2 LYS 68.A O no hydrogen 2.915 N/A ARG 51.A NH2 SER 161.A O no hydrogen 3.245 N/A ASP 52.A N ASN 48.A O no hydrogen 2.972 N/A HIS 53.A N ASP 49.A O no hydrogen 3.017 N/A VAL 54.A N VAL 50.A O no hydrogen 2.887 N/A ALA 55.A N ARG 51.A O no hydrogen 3.004 N/A LYS 56.A N HIS 53.A O no hydrogen 3.082 N/A GLY 57.A N VAL 54.A O no hydrogen 2.892 N/A SER 58.A OG HIS 53.A O no hydrogen 2.606 N/A ALA 64.A N ALA 55.A O no hydrogen 3.079 N/A ALA 65.A N LYS 200.A O no hydrogen 2.956 N/A ARG 66.A NE GLU 224.A OE2 no hydrogen 2.959 N/A ARG 66.A NH2 GLU 224.A OE2 no hydrogen 2.888 N/A LYS 68.A NZ ALA 222.A O no hydrogen 2.907 N/A LYS 68.A NZ GLU 224.A O no hydrogen 2.809 N/A VAL 69.A N CYS 220.A O no hydrogen 2.997 N/A VAL 70.A N ASN 48.A OD1 no hydrogen 2.963 N/A VAL 71.A N THR 165.A O no hydrogen 3.281 N/A ASP 73.A N VAL 167.A O no hydrogen 2.564 N/A LEU 76.A N ASP 73.A OD2 no hydrogen 3.004 N/A ALA 77.A N ASP 73.A O no hydrogen 2.926 N/A GLY 78.A N ALA 74.A O no hydrogen 2.919 N/A LEU 79.A N GLU 75.A O no hydrogen 3.136 N/A ALA 80.A N LEU 76.A O no hydrogen 2.852 N/A LYS 81.A N ALA 77.A O no hydrogen 2.716 N/A ARG 82.A N GLY 78.A O no hydrogen 2.871 N/A ARG 82.A NH1 GLY 18.A O no hydrogen 3.323 N/A ARG 82.A NH2 CYS 17.A O no hydrogen 2.978 N/A ARG 82.A NH2 GLY 18.A O no hydrogen 3.438 N/A HIS 83.A N LEU 79.A O no hydrogen 2.902 N/A HIS 83.A NE2 GLY 89.A O no hydrogen 2.899 N/A THR 84.A N ALA 80.A O no hydrogen 2.956 N/A THR 84.A OG1 LYS 81.A O no hydrogen 2.582 N/A THR 84.A OG1 THR 172.A OG1 no hydrogen 2.383 N/A LYS 85.A N LYS 81.A O no hydrogen 3.361 N/A LYS 85.A N ARG 82.A O no hydrogen 3.334 N/A LYS 85.A NZ THR 32.A OG1 no hydrogen 2.603 N/A GLY 86.A N HIS 83.A O no hydrogen 3.019 N/A CYS 87.A N THR 84.A O no hydrogen 2.839 N/A CYS 87.A SG THR 84.A O no hydrogen 3.782 N/A ALA 93.A N THR 91.A OG1 no hydrogen 3.422 N/A CYS 94.A N TYR 13.A O no hydrogen 2.658 N/A CYS 94.A SG ASN 12.A O no hydrogen 3.612 N/A ARG 95.A NE PRO 103.A O no hydrogen 2.795 N/A ARG 95.A NH2 PRO 103.A O no hydrogen 3.044 N/A ASN 96.A ND2 PRO 7.A O no hydrogen 3.271 N/A THR 97.A N PHE 100.A O no hydrogen 3.199 N/A THR 97.A OG1 PHE 100.A O no hydrogen 3.464 N/A ARG 99.A NH1 ASP 73.A OD1 no hydrogen 3.189 N/A ARG 99.A NH2 ASP 73.A OD1 no hydrogen 2.784 N/A ARG 99.A NH2 ASP 73.A OD2 no hydrogen 3.174 N/A ARG 99.A NH2 GLU 75.A OE1 no hydrogen 3.387 N/A PHE 100.A N THR 97.A OG1 no hydrogen 2.917 N/A TRP 101.A N ASN 229.A OD1 no hydrogen 2.721 N/A TRP 101.A NE1 GLU 98.A O no hydrogen 2.940 N/A GLY 104.A N SER 190.A O no hydrogen 2.915 N/A GLN 105.A NE2 ASN 187.A OD1 no hydrogen 3.039 N/A LEU 106.A N CYS 186.A O no hydrogen 2.919 N/A ASN 107.A ND2 GLU 90.A OE2 no hydrogen 3.250 N/A ASN 107.A ND2 GLN 105.A OE1 no hydrogen 3.067 N/A PHE 108.A N LEU 184.A O no hydrogen 2.829 N/A TYR 110.A N ALA 182.A O no hydrogen 2.804 N/A TYR 110.A OH LYS 114.A O no hydrogen 2.621 N/A GLY 112.A N ALA 180.A O no hydrogen 3.062 N/A LYS 119.A NZ GLU 38.A OE1 no hydrogen 2.707 N/A GLU 120.A N ARG 117.A O no hydrogen 2.915 N/A LEU 121.A N ARG 117.A O no hydrogen 3.165 N/A ILE 122.A N ILE 118.A O no hydrogen 3.114 N/A ASP 123.A N LYS 119.A O no hydrogen 3.061 N/A ASP 124.A N GLU 120.A O no hydrogen 2.882 N/A ALA 125.A N LEU 121.A O no hydrogen 3.065 N/A VAL 126.A N ILE 122.A O no hydrogen 2.775 N/A LYS 127.A N ASP 123.A O no hydrogen 2.714 N/A LYS 128.A N ASP 124.A O no hydrogen 2.794 N/A GLY 129.A N ALA 125.A O no hydrogen 3.114 N/A HIS 130.A N VAL 126.A O no hydrogen 3.026 N/A LEU 131.A N LYS 127.A O no hydrogen 3.034 N/A GLN 132.A N GLY 129.A O no hydrogen 3.072 N/A GLN 132.A NE2 GLU 155.A OE1 no hydrogen 2.977 N/A LYS 133.A N HIS 130.A O no hydrogen 3.310 N/A ASN 135.A N GLN 132.A O no hydrogen 2.671 N/A ASN 135.A ND2 ASP 152.A O no hydrogen 3.255 N/A ILE 136.A N GLN 132.A O no hydrogen 2.816 N/A THR 137.A OG1 GLU 139.A OE2 no hydrogen 3.308 N/A ILE 140.A N THR 137.A OG1 no hydrogen 3.017 N/A ILE 141.A N THR 137.A O no hydrogen 3.127 N/A GLU 142.A N ARG 138.A O no hydrogen 2.923 N/A GLU 142.A N GLU 139.A O no hydrogen 3.073 N/A ASN 143.A N GLU 139.A O no hydrogen 2.923 N/A TYR 144.A N ARG 196.A O no hydrogen 2.649 N/A TYR 144.A OH GLU 146.A OE2 no hydrogen 3.225 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.711 N/A LEU 156.A N GLN 132.A OE1 no hydrogen 2.823 N/A ALA 157.A N VAL 153.A O no hydrogen 2.792 N/A LEU 158.A N LYS 154.A O no hydrogen 3.013 N/A ALA 159.A N GLU 155.A O no hydrogen 3.232 N/A ILE 160.A N LEU 156.A O no hydrogen 3.139 N/A SER 161.A N LEU 158.A O no hydrogen 3.300 N/A SER 161.A OG ASN 192.A OD1 no hydrogen 3.432 N/A ASP 162.A N VAL 198.A O no hydrogen 3.245 N/A ARG 163.A N SER 161.A OG no hydrogen 3.185 N/A ARG 163.A NE LYS 230.A O no hydrogen 2.798 N/A ARG 163.A NH1 ASP 227.A O no hydrogen 2.776 N/A VAL 164.A N SER 161.A O no hydrogen 3.293 N/A THR 165.A N SER 189.A OG no hydrogen 2.814 N/A THR 165.A OG1 SER 189.A OG no hydrogen 2.874 N/A ALA 166.A N SER 189.A OG no hydrogen 3.143 N/A VAL 167.A N VAL 71.A O no hydrogen 2.878 N/A GLY 168.A N ASN 187.A O no hydrogen 2.850 N/A GLY 170.A N THR 185.A O no hydrogen 2.878 N/A THR 172.A N LEU 183.A O no hydrogen 3.177 N/A THR 172.A OG1 THR 32.A OG1 no hydrogen 3.404 N/A THR 172.A OG1 THR 84.A OG1 no hydrogen 2.383 N/A THR 173.A N ARG 31.A O no hydrogen 2.960 N/A TRP 174.A N ARG 181.A O no hydrogen 2.820 N/A ASP 176.A N LYS 179.A O no hydrogen 3.173 N/A LYS 179.A N ASP 176.A O no hydrogen 3.037 N/A LYS 179.A NZ ASP 113.A OD1 no hydrogen 2.316 N/A ALA 180.A N GLY 112.A O no hydrogen 2.720 N/A ARG 181.A N TRP 174.A O no hydrogen 2.850 N/A ARG 181.A NE ASP 176.A O no hydrogen 3.011 N/A ARG 181.A NH2 ASP 176.A O no hydrogen 3.336 N/A ALA 182.A N TYR 110.A O no hydrogen 3.158 N/A LEU 183.A N THR 172.A O no hydrogen 2.919 N/A LEU 184.A N PHE 108.A O no hydrogen 2.927 N/A THR 185.A N GLY 170.A O no hydrogen 2.966 N/A THR 185.A OG1 ASN 107.A OD1 no hydrogen 2.813 N/A CYS 186.A N LEU 106.A O no hydrogen 2.959 N/A ASN 187.A N GLY 168.A O no hydrogen 2.903 N/A ASN 187.A ND2 LEU 76.A O no hydrogen 3.231 N/A PHE 188.A N GLY 104.A O no hydrogen 2.877 N/A SER 189.A N ALA 166.A O no hydrogen 2.772 N/A SER 189.A OG THR 165.A OG1 no hydrogen 2.874 N/A SER 190.A OG PRO 228.A O no hydrogen 2.821 N/A ASN 192.A ND2 ALA 157.A O no hydrogen 2.697 N/A GLY 195.A N TYR 144.A O no hydrogen 2.742 N/A ARG 196.A N THR 193.A O no hydrogen 2.904 N/A ARG 196.A NE ASN 232.A O no hydrogen 2.537 N/A ARG 196.A NH2 ASN 232.A O no hydrogen 2.753 N/A VAL 198.A N ILE 141.A O no hydrogen 2.951 N/A TYR 199.A OH PRO 62.A O no hydrogen 2.370 N/A LYS 200.A N ASP 162.A OD2 no hydrogen 2.793 N/A GLY 202.A N VAL 63.A O no hydrogen 2.963 N/A ASN 203.A N GLU 207.A OE1 no hydrogen 3.157 N/A ASN 203.A N GLU 207.A OE2 no hydrogen 2.934 N/A SER 204.A N GLU 207.A OE1 no hydrogen 3.017 N/A SER 204.A OG PRO 205.A O no hydrogen 3.531 N/A GLY 206.A N ALA 64.A O no hydrogen 2.848 N/A GLU 207.A N SER 204.A O no hydrogen 3.185 N/A LYS 208.A N ALA 65.A O no hydrogen 2.826 N/A CYS 209.A N GLY 206.A O no hydrogen 2.838 N/A CYS 209.A SG GLY 206.A O no hydrogen 3.557 N/A ILE 210.A N GLU 224.A OE2 no hydrogen 2.780 N/A GLU 211.A N GLU 224.A OE1 no hydrogen 3.397 N/A LYS 212.A NZ PRO 205.A O no hydrogen 2.789 N/A ASP 213.A N LEU 219.A O no hydrogen 2.659 N/A THR 215.A N ASP 213.A OD2 no hydrogen 3.059 N/A TYR 216.A N ASP 213.A OD2 no hydrogen 2.841 N/A ASN 218.A N ASP 52.A OD1 no hydrogen 2.920 N/A ASN 218.A ND2 ASP 52.A O no hydrogen 3.686 N/A ASN 218.A ND2 ASP 52.A OD1 no hydrogen 3.432 N/A ASN 218.A ND2 ASP 52.A OD2 no hydrogen 2.903 N/A LEU 219.A N TYR 216.A O no hydrogen 2.745 N/A CYS 220.A N MET 67.A O no hydrogen 2.971 N/A CYS 220.A SG MET 67.A O no hydrogen 3.822 N/A SER 221.A N GLU 211.A O no hydrogen 2.738 N/A SER 221.A OG THR 223.A OG1 no hydrogen 3.339 N/A THR 223.A OG1 SER 221.A OG no hydrogen 3.339 N/A GLU 224.A N SER 221.A O no hydrogen 3.185 N/A ILE 226.A N GLU 224.A O no hydrogen 2.764 N/A ASN 229.A N ASP 227.A OD1 no hydrogen 3.020 N/A ASN 229.A ND2 ARG 99.A O no hydrogen 2.846 N/A SER 231.A OG ASN 232.A O no hydrogen 3.421 N/A ASN 232.A ND2 ASP 162.A OD1 no hydrogen 2.635 N/A ASN 232.A ND2 PRO 197.A O no hydrogen 3.046 N/A