Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ffk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASN 56.A OD1 no hydrogen 2.668 N/A LEU 5.A N GLU 52.A OE2 no hydrogen 2.551 N/A ARG 7.A NH1.A LEU 5.A O no hydrogen 2.652 N/A ARG 7.A NH1.A GLU 52.A OE1 no hydrogen 3.168 N/A ARG 7.A NH1.A GLU 52.A OE2 no hydrogen 2.696 N/A ARG 7.A NH2.A ASP 49.A OD2 no hydrogen 3.439 N/A ARG 7.A NH2.A GLU 52.A OE1 no hydrogen 2.591 N/A TYR 8.A N ASN 45.A OD1 no hydrogen 2.588 N/A TYR 15.A OH TRP 85.A O no hydrogen 2.714 N/A TYR 17.A OH ASP 34.A OD2 no hydrogen 2.634 N/A ALA 19.A N ASN 16.A O no hydrogen 2.951 N/A GLU 21.A N ASP 18.A O no hydrogen 3.197 N/A ILE 23.A N LEU 20.A O no hydrogen 2.958 N/A ILE 24.A N LEU 20.A O no hydrogen 3.101 N/A SER 25.A N ASP 176.A OD1 no hydrogen 2.917 N/A SER 25.A OG THR 28.A OG1 no hydrogen 3.141 N/A SER 25.A OG ASP 176.A OD1 no hydrogen 3.241 N/A SER 25.A OG ASP 176.A OD2 no hydrogen 2.582 N/A ALA 26.A N GLU 21.A OE2 no hydrogen 2.942 N/A THR 28.A N SER 25.A OG no hydrogen 2.931 N/A THR 28.A OG1 SER 25.A OG no hydrogen 3.141 N/A THR 28.A OG1 ASP 176.A OD1 no hydrogen 2.643 N/A LEU 29.A N SER 25.A O no hydrogen 2.857 N/A ARG 30.A N ALA 26.A O no hydrogen 2.826 N/A TYR 31.A N GLU 27.A O no hydrogen 2.947 N/A HIS 32.A N THR 28.A O no hydrogen 2.664 N/A HIS 32.A NE2 HIS 81.A NE2 no hydrogen 2.968 N/A HIS 33.A N LEU 29.A O no hydrogen 2.734 N/A HIS 33.A ND1 ASP 34.A OD2 no hydrogen 2.900 N/A HIS 33.A NE2 PRO 11.A O no hydrogen 2.680 N/A ASP 34.A N ARG 30.A O no hydrogen 2.885 N/A LYS 35.A N TYR 31.A O no hydrogen 2.952 N/A HIS 36.A N TYR 31.A O no hydrogen 2.888 N/A HIS 37.A N HIS 32.A O no hydrogen 2.844 N/A HIS 37.A NE2 HIS 78.A ND1 no hydrogen 2.923 N/A LEU 38.A N HIS 33.A O no hydrogen 3.353 N/A GLY 39.A N LYS 35.A O no hydrogen 2.857 N/A TYR 40.A N HIS 36.A O no hydrogen 3.124 N/A VAL 41.A N HIS 37.A O no hydrogen 3.032 N/A ASN 42.A N LEU 38.A O no hydrogen 2.813 N/A GLY 43.A N GLY 39.A O no hydrogen 2.732 N/A ALA 44.A N TYR 40.A O no hydrogen 2.830 N/A ASN 45.A N VAL 41.A O no hydrogen 2.917 N/A ASN 45.A ND2 TYR 8.A O no hydrogen 3.022 N/A ALA 46.A N ASN 42.A O no hydrogen 2.806 N/A ALA 47.A N GLY 43.A O no hydrogen 3.185 N/A LEU 48.A N ALA 44.A O no hydrogen 3.140 N/A ASP 49.A N ASN 45.A O no hydrogen 2.806 N/A LYS 50.A N ALA 46.A O no hydrogen 3.127 N/A LEU 51.A N ALA 47.A O no hydrogen 2.979 N/A GLU 52.A N LEU 48.A O no hydrogen 2.882 N/A LYS 53.A N ASP 49.A O no hydrogen 2.984 N/A TYR 54.A N LYS 50.A O no hydrogen 2.947 N/A LEU 55.A N LEU 51.A O no hydrogen 2.787 N/A ASN 56.A N GLU 52.A O no hydrogen 2.750 N/A ASN 56.A ND2 VAL 3.A O no hydrogen 2.716 N/A GLY 57.A N TYR 54.A O no hydrogen 3.122 N/A GLN 58.A N LYS 53.A O no hydrogen 2.711 N/A LEU 59.A N LYS 53.A O no hydrogen 3.195 N/A ALA 66.A N ASP 63.A OD1 no hydrogen 3.014 N/A VAL 67.A N ASP 63.A O no hydrogen 2.918 N/A SER 68.A N VAL 64.A O no hydrogen 2.916 N/A SER 68.A OG VAL 64.A O no hydrogen 2.550 N/A ARG 69.A N ARG 65.A O no hydrogen 2.866 N/A ASP 70.A N ALA 66.A O no hydrogen 2.871 N/A PHE 71.A N VAL 67.A O no hydrogen 2.784 N/A GLU 72.A N SER 68.A O no hydrogen 2.848 N/A PHE 73.A N ARG 69.A O no hydrogen 2.918 N/A ASN 74.A N ASP 70.A O no hydrogen 3.097 N/A ASN 74.A ND2 ASP 70.A O no hydrogen 2.714 N/A TYR 75.A N PHE 71.A O no hydrogen 2.663 N/A GLY 76.A N GLU 72.A O no hydrogen 2.809 N/A GLY 77.A N PHE 73.A O no hydrogen 2.893 N/A HIS 78.A N ASN 74.A O no hydrogen 2.789 N/A HIS 78.A ND1 HIS 37.A NE2 no hydrogen 2.923 N/A ILE 79.A N TYR 75.A O no hydrogen 2.890 N/A LEU 80.A N GLY 76.A O no hydrogen 2.861 N/A HIS 81.A N GLY 77.A O no hydrogen 2.946 N/A HIS 81.A ND1 GLY 77.A O no hydrogen 2.646 N/A HIS 81.A NE2 HIS 32.A NE2 no hydrogen 2.968 N/A THR 82.A N HIS 78.A O no hydrogen 2.887 N/A THR 82.A OG1 HIS 78.A O no hydrogen 2.679 N/A LEU 83.A N ILE 79.A O no hydrogen 3.008 N/A TYR 84.A N LEU 80.A O no hydrogen 2.802 N/A TYR 84.A OH TYR 184.A OH no hydrogen 2.722 N/A TRP 85.A N HIS 81.A O no hydrogen 2.871 N/A TRP 85.A NE1 HIS 37.A ND1 no hydrogen 2.837 N/A LEU 86.A N THR 82.A O no hydrogen 3.276 N/A ASN 87.A N LEU 83.A O no hydrogen 2.826 N/A ASN 87.A N TYR 84.A O no hydrogen 3.248 N/A ASN 87.A ND2 LEU 163.A O no hydrogen 3.097 N/A ASN 87.A ND2 ASP 196.A OD2 no hydrogen 2.733 N/A MET 88.A N TRP 85.A O no hydrogen 3.232 N/A ALA 89.A N LEU 191.A O no hydrogen 2.735 N/A LYS 91.A N ALA 19.A O no hydrogen 3.171 N/A GLY 94.A N PRO 90.A O no hydrogen 3.022 N/A GLY 95.A N ILE 192.A O no hydrogen 2.515 N/A ALA 101.A N GLU 198.A OE2 no hydrogen 3.354 N/A ILE 102.A N GLU 198.A OE1 no hydrogen 2.684 N/A GLY 103.A N GLY 99.A O no hydrogen 3.168 N/A ASP 104.A N GLY 100.A O no hydrogen 3.176 N/A ALA 105.A N ALA 101.A O no hydrogen 2.611 N/A ILE 106.A N ILE 102.A O no hydrogen 2.773 N/A ASN 107.A N GLY 103.A O no hydrogen 2.981 N/A LYS 108.A N ASP 104.A O no hydrogen 2.765 N/A PHE 109.A N ALA 105.A O no hydrogen 2.888 N/A PHE 110.A N ILE 106.A O no hydrogen 2.870 N/A GLY 111.A N ASN 107.A O no hydrogen 2.765 N/A LYS 115.A N SER 112.A OG no hydrogen 3.008 N/A PHE 116.A N SER 112.A O no hydrogen 3.048 N/A LYS 117.A N PHE 113.A O no hydrogen 2.661 N/A LYS 118.A N ASP 114.A O no hydrogen 2.910 N/A LYS 118.A NZ ASP 122.A OD1 no hydrogen 3.025 N/A LYS 118.A NZ ASP 122.A OD2 no hydrogen 2.774 N/A LEU 119.A N LYS 115.A O no hydrogen 2.979 N/A PHE 120.A N PHE 116.A O no hydrogen 2.600 N/A GLY 121.A N LYS 117.A O no hydrogen 2.790 N/A ASP 122.A N LYS 118.A O no hydrogen 2.995 N/A ALA 123.A N LEU 119.A O no hydrogen 2.831 N/A ALA 124.A N PHE 120.A O no hydrogen 2.907 N/A LYS 125.A N GLY 121.A O no hydrogen 2.840 N/A LYS 125.A NZ ASP 186.A OD1 no hydrogen 2.677 N/A ASN 126.A N ASP 122.A O no hydrogen 2.859 N/A ASN 126.A ND2 ASP 122.A O no hydrogen 2.776 N/A VAL 127.A N ALA 124.A O no hydrogen 3.315 N/A TRP 132.A N VAL 149.A O no hydrogen 2.929 N/A TRP 132.A NE1 HIS 152.A ND1 no hydrogen 2.977 N/A ALA 133.A N VAL 166.A O no hydrogen 3.050 N/A ILE 134.A N LEU 147.A O no hydrogen 2.897 N/A LEU 135.A N LEU 164.A O no hydrogen 2.808 N/A ALA 136.A N ARG 145.A O no hydrogen 2.766 N/A TYR 137.A N ILE 161.A O no hydrogen 2.615 N/A ASP 138.A N ASP 143.A O no hydrogen 2.785 N/A VAL 140.A N ASP 138.A OD1 no hydrogen 2.926 N/A THR 141.A N ASP 138.A O no hydrogen 3.091 N/A THR 141.A OG1 ASP 138.A OD2 no hydrogen 2.679 N/A GLY 142.A N ASP 138.A O no hydrogen 2.755 N/A ASP 143.A N THR 141.A OG1 no hydrogen 3.003 N/A ARG 145.A N ALA 136.A O no hydrogen 2.730 N/A ARG 145.A NH1 ASP 143.A OD2 no hydrogen 2.737 N/A ARG 145.A NH2 ASP 143.A OD2 no hydrogen 3.235 N/A LEU 147.A N ILE 134.A O no hydrogen 2.764 N/A GLN 148.A NE2 ALA 123.A O no hydrogen 2.796 N/A VAL 149.A N TRP 132.A O no hydrogen 2.822 N/A GLU 150.A N ASN 154.A O no hydrogen 2.758 N/A LYS 151.A N VAL 130.A O no hydrogen 2.853 N/A ASN 153.A N GLU 150.A O no hydrogen 3.230 N/A ASN 154.A N GLU 150.A O no hydrogen 2.886 N/A THR 158.A N THR 157.A OG1 no hydrogen 2.872 N/A LEU 160.A N THR 158.A O no hydrogen 2.772 N/A ILE 161.A N TYR 137.A O no hydrogen 2.801 N/A LEU 163.A N LEU 135.A O no hydrogen 2.674 N/A LEU 164.A N LEU 135.A O no hydrogen 3.223 N/A ALA 165.A N ASN 87.A OD1 no hydrogen 2.816 N/A VAL 166.A N ALA 133.A O no hydrogen 2.865 N/A VAL 168.A N GLY 131.A O no hydrogen 2.815 N/A PHE 169.A N ASP 167.A OD1 no hydrogen 2.994 N/A HIS 171.A NE2 HIS 32.A NE2 no hydrogen 3.012 N/A ALA 172.A N PHE 169.A O no hydrogen 2.892 N/A TYR 173.A N GLU 170.A O no hydrogen 2.975 N/A TYR 174.A N GLU 170.A O no hydrogen 2.695 N/A ASP 176.A N TYR 173.A O no hydrogen 3.024 N/A TYR 177.A N TYR 173.A O no hydrogen 2.669 N/A TYR 177.A OH ILE 23.A O no hydrogen 2.628 N/A ARG 178.A N TYR 174.A O no hydrogen 2.947 N/A ARG 178.A NH1 TYR 174.A O no hydrogen 2.871 N/A ASP 180.A N TYR 177.A O no hydrogen 2.927 N/A ARG 181.A N ASN 179.A O no hydrogen 2.805 N/A ARG 181.A NE TYR 173.A OH no hydrogen 3.016 N/A ARG 181.A NH1 ALA 124.A O no hydrogen 3.527 N/A ARG 181.A NH1 LYS 125.A O no hydrogen 3.293 N/A ARG 181.A NH1 VAL 127.A O no hydrogen 2.697 N/A ARG 181.A NH2 GLY 129.A O no hydrogen 2.694 N/A ARG 181.A NH2 TYR 173.A OH no hydrogen 3.538 N/A LYS 183.A N ASP 180.A O no hydrogen 3.152 N/A LYS 183.A N ASP 180.A OD1 no hydrogen 3.051 N/A TYR 184.A N ASP 180.A O no hydrogen 3.068 N/A TYR 184.A OH TYR 84.A OH no hydrogen 2.722 N/A TYR 184.A OH ASP 167.A O no hydrogen 2.584 N/A VAL 185.A N ARG 181.A O no hydrogen 2.815 N/A ASP 186.A N ALA 182.A O no hydrogen 2.886 N/A SER 187.A N LYS 183.A O no hydrogen 3.072 N/A SER 187.A OG LYS 183.A O no hydrogen 2.779 N/A TRP 188.A N TYR 184.A O no hydrogen 2.782 N/A ASP 190.A N SER 187.A O no hydrogen 2.843 N/A LEU 191.A N TRP 188.A O no hydrogen 2.818 N/A ILE 192.A N TRP 189.A O no hydrogen 3.370 N/A ASN 193.A N ASN 87.A O no hydrogen 2.701 N/A VAL 197.A N ASN 193.A O no hydrogen 3.165 N/A GLU 198.A N TRP 194.A O no hydrogen 2.847 N/A ALA 199.A N ASP 195.A O no hydrogen 2.738 N/A ARG 200.A N ASP 196.A O no hydrogen 2.931 N/A ARG 200.A NH1 LEU 163.A O no hydrogen 3.056 N/A ARG 200.A NH1 ASP 196.A OD2 no hydrogen 2.762 N/A ARG 200.A NH2 ASP 196.A OD1 no hydrogen 2.839 N/A ARG 200.A NH2 ASP 196.A OD2 no hydrogen 3.465 N/A TYR 201.A N VAL 197.A O no hydrogen 2.718 N/A GLN 202.A N GLU 198.A O no hydrogen 2.760 N/A GLN 202.A NE2 GLU 198.A OE2 no hydrogen 2.672 N/A LYS 203.A N ALA 199.A O no hydrogen 3.053 N/A ALA 204.A N ARG 200.A O no hydrogen 2.771 N/A LEU 205.A N TYR 201.A O no hydrogen 2.836 N/A ASN 206.A N GLN 202.A O no hydrogen 3.216 N/A ASN 206.A N LYS 203.A O no hydrogen 3.178 N/A THR 207.A N ALA 204.A O no hydrogen 3.119 N/A THR 207.A OG1 ALA 204.A O no hydrogen 2.769 N/A LYS 209.A NZ PRO 139.A O no hydrogen 2.829 N/A LYS 209.A NZ VAL 140.A O no hydrogen 2.611 N/A LYS 209.A NZ LEU 212.A O no hydrogen 3.445 N/A