Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tot_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ASP 56.A OD1 no hydrogen 2.719 N/A LYS 3.A N VAL 54.A O no hydrogen 2.887 N/A LYS 3.A NZ VAL 1.A O no hydrogen 2.729 N/A LYS 3.A NZ GLN 28.A OE1 no hydrogen 2.874 N/A LEU 4.A N GLN 28.A O no hydrogen 2.828 N/A ILE 5.A N CYS 52.A O no hydrogen 2.813 N/A GLY 6.A N VAL 30.A O no hydrogen 2.996 N/A SER 10.A N SER 7.A OG no hydrogen 3.033 N/A SER 10.A OG THR 13.A OG1 no hydrogen 2.870 N/A TYR 12.A OH ASP 103.A OD1 no hydrogen 2.607 N/A THR 13.A N SER 10.A OG no hydrogen 3.096 N/A THR 13.A OG1 SER 10.A OG no hydrogen 2.870 N/A ARG 14.A N SER 10.A O no hydrogen 2.957 N/A ARG 14.A NE THR 200.A OG1 no hydrogen 2.970 N/A ARG 14.A NH2 PHE 197.A O no hydrogen 2.730 N/A LYS 15.A N PRO 11.A O no hydrogen 2.989 N/A LYS 15.A NZ SER 64.A OG no hydrogen 2.974 N/A LYS 15.A NZ GLU 95.A OE2 no hydrogen 2.769 N/A LYS 15.A NZ ASP 99.A OD1 no hydrogen 2.910 N/A LYS 15.A NZ ASP 99.A OD2 no hydrogen 2.928 N/A VAL 16.A N TYR 12.A O no hydrogen 3.347 N/A ARG 17.A N THR 13.A O no hydrogen 2.898 N/A ARG 17.A NE TYR 27.A OH no hydrogen 3.542 N/A VAL 18.A N ARG 14.A O no hydrogen 2.788 N/A VAL 19.A N LYS 15.A O no hydrogen 3.018 N/A LEU 20.A N VAL 16.A O no hydrogen 2.818 N/A ALA 21.A N ARG 17.A O no hydrogen 2.961 N/A GLU 22.A N VAL 18.A O no hydrogen 2.883 N/A LYS 23.A N VAL 19.A O no hydrogen 2.861 N/A LYS 23.A NZ ASP 72.A O no hydrogen 3.034 N/A LYS 23.A NZ ASP 72.A OD1 no hydrogen 2.897 N/A LYS 23.A NZ SER 75.A O no hydrogen 2.946 N/A LYS 23.A NZ VAL 77.A O no hydrogen 2.867 N/A LYS 23.A NZ ALA 78.A O no hydrogen 2.842 N/A LYS 24.A N ALA 21.A O no hydrogen 3.166 N/A ILE 25.A N LEU 20.A O no hydrogen 2.981 N/A GLN 28.A N MET 2.A O no hydrogen 2.849 N/A VAL 30.A N LEU 4.A O no hydrogen 2.763 N/A GLU 32.A N GLY 6.A O no hydrogen 2.916 N/A TRP 35.A N ASP 33.A OD1 no hydrogen 3.201 N/A ASN 36.A N ASP 33.A O no hydrogen 3.183 N/A ASP 38.A N ASN 36.A OD1 no hydrogen 2.852 N/A THR 39.A N ASN 36.A O no hydrogen 2.999 N/A THR 39.A OG1 GLU 32.A OE2 no hydrogen 2.671 N/A GLN 40.A N GLU 32.A OE2 no hydrogen 3.019 N/A GLN 40.A NE2 GLU 32.A OE1 no hydrogen 3.131 N/A ILE 41.A N THR 39.A OG1 no hydrogen 3.101 N/A GLN 43.A N GLN 40.A O no hydrogen 2.958 N/A PHE 44.A N ILE 41.A O no hydrogen 2.886 N/A ASN 45.A N ILE 41.A O no hydrogen 2.831 N/A ASN 45.A ND2 LYS 49.A O no hydrogen 2.800 N/A LEU 47.A N ASN 45.A OD1 no hydrogen 2.994 N/A GLY 48.A N ASN 45.A O no hydrogen 2.901 N/A CYS 52.A N ILE 5.A O no hydrogen 3.132 N/A CYS 52.A SG LEU 61.A O no hydrogen 3.734 N/A LEU 53.A N LEU 61.A O no hydrogen 2.937 N/A VAL 54.A N LYS 3.A O no hydrogen 2.732 N/A MET 55.A N GLY 59.A O no hydrogen 2.806 N/A GLY 58.A N MET 55.A O no hydrogen 2.975 N/A GLY 59.A N ASP 57.A OD1 no hydrogen 3.035 N/A LEU 61.A N LEU 53.A O no hydrogen 2.788 N/A ARG 65.A N ASP 63.A OD1 no hydrogen 3.233 N/A ARG 65.A NE ASP 99.A OD2 no hydrogen 2.950 N/A ILE 67.A N ASP 63.A O no hydrogen 2.968 N/A ALA 68.A N SER 64.A O no hydrogen 2.928 N/A GLU 69.A N ARG 65.A O no hydrogen 3.046 N/A TYR 70.A N VAL 66.A O no hydrogen 2.963 N/A ALA 71.A N ILE 67.A O no hydrogen 2.824 N/A ASP 72.A N ALA 68.A O no hydrogen 3.096 N/A THR 73.A N TYR 70.A O no hydrogen 2.988 N/A THR 73.A OG1 TYR 70.A O no hydrogen 2.720 N/A LEU 74.A N ALA 71.A O no hydrogen 3.130 N/A SER 75.A OG LYS 23.A O no hydrogen 2.624 N/A VAL 77.A N SER 75.A OG no hydrogen 3.070 N/A ARG 79.A NE ILE 81.A O no hydrogen 2.871 N/A LEU 80.A N ASP 72.A OD1 no hydrogen 2.923 N/A ILE 81.A N ASP 72.A OD2 no hydrogen 3.032 N/A ARG 86.A NE GLU 90.A OE2 no hydrogen 2.857 N/A ARG 88.A N SER 84.A O.A no hydrogen 3.456 N/A ARG 88.A NE PRO 83.A O.A no hydrogen 2.984 N/A ARG 88.A NH1 PRO 83.A O.A no hydrogen 2.725 N/A VAL 89.A N GLY 85.A O.B no hydrogen 3.396 N/A GLU 90.A N ARG 86.A O no hydrogen 2.994 N/A VAL 91.A N GLU 87.A O no hydrogen 2.999 N/A ARG 92.A N ARG 88.A O no hydrogen 2.937 N/A CYS 93.A N VAL 89.A O no hydrogen 2.840 N/A TRP 94.A N GLU 90.A O no hydrogen 2.883 N/A GLU 95.A N VAL 91.A O no hydrogen 2.975 N/A ALA 96.A N ARG 92.A O no hydrogen 3.008 N/A LEU 97.A N CYS 93.A O no hydrogen 2.902 N/A ALA 98.A N TRP 94.A O no hydrogen 3.001 N/A ASP 99.A N GLU 95.A O no hydrogen 2.828 N/A GLY 100.A N ALA 96.A O no hydrogen 2.858 N/A LEU 101.A N LEU 97.A O no hydrogen 3.056 N/A LEU 102.A N ALA 98.A O no hydrogen 2.970 N/A ASP 103.A N ASP 99.A O no hydrogen 2.710 N/A ALA 104.A N GLY 100.A O no hydrogen 3.056 N/A ALA 105.A N LEU 101.A O no hydrogen 2.929 N/A VAL 106.A N LEU 102.A O no hydrogen 2.733 N/A ALA 107.A N ASP 103.A O no hydrogen 2.893 N/A LEU 108.A N ALA 104.A O no hydrogen 3.124 N/A ARG 109.A N ALA 105.A O no hydrogen 3.088 N/A VAL 110.A N VAL 106.A O no hydrogen 2.862 N/A GLU 111.A N ALA 107.A O no hydrogen 2.916 N/A GLN 112.A N LEU 108.A O no hydrogen 3.079 N/A THR 113.A N ARG 109.A O no hydrogen 2.901 N/A THR 113.A OG1 ARG 109.A O no hydrogen 3.190 N/A GLN 114.A N VAL 110.A O no hydrogen 2.837 N/A GLN 114.A NE2 THR 113.A OG1 no hydrogen 3.059 N/A THR 116.A N GLN 119.A OE1 no hydrogen 3.045 N/A THR 116.A OG1 GLU 118.A OE1 no hydrogen 3.509 N/A GLN 119.A N THR 116.A O no hydrogen 2.879 N/A ARG 120.A N PRO 117.A O no hydrogen 3.466 N/A ARG 120.A NE GLU 111.A O no hydrogen 3.147 N/A ARG 120.A NH2 GLN 112.A O no hydrogen 2.711 N/A SER 121.A N GLU 111.A OE2 no hydrogen 2.771 N/A SER 123.A OG SER 121.A OG no hydrogen 2.925 N/A TRP 124.A N SER 121.A OG no hydrogen 3.101 N/A ILE 125.A N SER 121.A O no hydrogen 3.084 N/A THR 126.A N GLU 122.A O no hydrogen 2.927 N/A THR 126.A OG1 GLU 122.A O no hydrogen 2.852 N/A ARG 127.A N SER 123.A O no hydrogen 2.983 N/A GLN 128.A N TRP 124.A O no hydrogen 3.122 N/A HIS 129.A N ILE 125.A O no hydrogen 3.036 N/A HIS 130.A N THR 126.A O no hydrogen 2.883 N/A LYS 131.A N ARG 127.A O no hydrogen 3.079 N/A ILE 132.A N GLN 128.A O no hydrogen 3.039 N/A ASP 133.A N HIS 129.A O no hydrogen 2.975 N/A GLU 134.A N HIS 130.A O no hydrogen 2.901 N/A ALA 135.A N LYS 131.A O no hydrogen 2.812 N/A LEU 136.A N ILE 132.A O no hydrogen 2.941 N/A LYS 137.A N ASP 133.A O no hydrogen 3.124 N/A ALA 138.A N GLU 134.A O no hydrogen 3.080 N/A MET 139.A N ALA 135.A O no hydrogen 2.858 N/A SER 140.A N LEU 136.A O no hydrogen 2.897 N/A SER 140.A OG ASN 183.A OD1 no hydrogen 2.690 N/A ARG 141.A N LYS 137.A O no hydrogen 2.879 N/A GLY 142.A N ALA 138.A O no hydrogen 2.824 N/A LEU 143.A N MET 139.A O no hydrogen 2.987 N/A ALA 144.A N SER 140.A O no hydrogen 3.081 N/A ARG 146.A N LEU 143.A O no hydrogen 2.914 N/A CYS 149.A N ASP 158.A OD1 no hydrogen 2.820 N/A CYS 149.A SG ASP 158.A OD1 no hydrogen 3.447 N/A ASN 150.A ND2 GLU 90.A OE1 no hydrogen 2.976 N/A THR 155.A N ASP 158.A OD2 no hydrogen 2.826 N/A THR 155.A OG1 ASP 158.A OD2 no hydrogen 3.483 N/A LEU 156.A N LEU 80.A O no hydrogen 2.893 N/A ALA 157.A N THR 155.A OG1 no hydrogen 3.161 N/A ILE 159.A N THR 155.A O no hydrogen 3.217 N/A ALA 160.A N LEU 156.A O no hydrogen 2.874 N/A VAL 161.A N ALA 157.A O no hydrogen 3.009 N/A GLY 162.A N ASP 158.A O no hydrogen 2.845 N/A CYS 163.A N ILE 159.A O no hydrogen 2.909 N/A CYS 163.A SG ILE 159.A O no hydrogen 3.324 N/A ALA 164.A N ALA 160.A O no hydrogen 2.997 N/A LEU 165.A N VAL 161.A O no hydrogen 2.925 N/A ALA 166.A N GLY 162.A O no hydrogen 2.992 N/A TYR 167.A N CYS 163.A O no hydrogen 2.881 N/A LEU 168.A N ALA 164.A O no hydrogen 3.069 N/A ASP 169.A N LEU 165.A O no hydrogen 3.108 N/A PHE 170.A N ALA 166.A O no hydrogen 3.074 N/A ARG 171.A N TYR 167.A O no hydrogen 2.910 N/A GLN 172.A N LEU 168.A O no hydrogen 2.784 N/A GLN 174.A N GLN 174.A OE1 no hydrogen 2.904 N/A VAL 175.A N GLN 172.A O no hydrogen 3.092 N/A TRP 177.A N VAL 175.A O no hydrogen 2.962 N/A TRP 177.A NE1 ASP 169.A OD1 no hydrogen 3.085 N/A ARG 178.A NH1 ASP 169.A OD1 no hydrogen 2.785 N/A ARG 178.A NH1 ASP 169.A OD2 no hydrogen 3.353 N/A ARG 178.A NH2 ASP 169.A OD2 no hydrogen 2.664 N/A GLU 179.A N ASP 176.A OD1 no hydrogen 3.215 N/A GLN 180.A N ASP 176.A O no hydrogen 3.221 N/A HIS 181.A N TRP 177.A O no hydrogen 2.895 N/A ASN 183.A ND2 SER 140.A O no hydrogen 2.788 N/A ASN 183.A ND2 ALA 144.A O no hydrogen 2.914 N/A ALA 185.A N HIS 181.A O no hydrogen 3.106 N/A ALA 186.A N ALA 182.A O no hydrogen 3.066 N/A PHE 187.A N ASN 183.A O no hydrogen 2.946 N/A TYR 188.A N LEU 184.A O no hydrogen 2.922 N/A THR 189.A N ALA 185.A O no hydrogen 3.099 N/A THR 189.A OG1 ALA 185.A O no hydrogen 3.074 N/A ARG 190.A N ALA 186.A O no hydrogen 3.149 N/A ARG 190.A NH2 THR 147.A O no hydrogen 2.893 N/A ILE 191.A N PHE 187.A O no hydrogen 3.008 N/A GLU 192.A N TYR 188.A O no hydrogen 2.889 N/A LYS 193.A NZ ARG 190.A O no hydrogen 3.563 N/A ARG 194.A N ILE 191.A O no hydrogen 3.118 N/A ARG 194.A NE GLU 22.A OE2 no hydrogen 2.827 N/A ARG 194.A NH2 GLU 22.A OE1 no hydrogen 2.849 N/A ARG 194.A NH2 GLU 22.A OE2 no hydrogen 3.385 N/A SER 196.A OG GLU 22.A OE2 no hydrogen 2.601 N/A LEU 198.A N ARG 194.A O no hydrogen 2.896 N/A GLU 199.A N PRO 195.A O no hydrogen 2.874 N/A THR 200.A N PHE 197.A O no hydrogen 3.184 N/A THR 200.A OG1 SER 196.A O no hydrogen 2.681 N/A THR 200.A OG1 PHE 197.A O no hydrogen 3.306 N/A GLN 201.A NE2 LEU 198.A O no hydrogen 2.861 N/A GLN 203.A N GLN 203.A OE1 no hydrogen 2.956 N/A ALA 204.A N GLN 201.A O no hydrogen 3.059 N/A GLU 205.A N PRO 202.A O no hydrogen 3.030 N/A ASN 206.A N GLN 203.A O no hydrogen 3.224 N/A LEU 207.A N ALA 204.A O no hydrogen 3.164 N/A TYR 208.A N ASN 206.A OD1 no hydrogen 3.029 N/A GLN 210.A N LEU 207.A O no hydrogen 2.913 N/A SER 211.A N TYR 208.A O no hydrogen 3.331 N/A