Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i13_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ILE 12.A O no hydrogen 2.846 N/A ASN 5.A N ILE 10.A O no hydrogen 2.774 N/A SER 11.A N THR 23.A O no hydrogen 2.865 N/A ILE 12.A N ILE 3.A O no hydrogen 2.795 N/A SER 13.A N VAL 21.A O no hydrogen 2.804 N/A GLN 14.A N THR 1.A O no hydrogen 2.858 N/A LEU 15.A N VAL 19.A O no hydrogen 2.762 N/A ASN 16.A N VAL 19.A O no hydrogen 3.104 N/A ASN 18.A N ASN 16.A OD1 no hydrogen 2.764 N/A VAL 19.A N ASN 16.A O no hydrogen 3.201 N/A TRP 20.A N VAL 32.A O no hydrogen 2.947 N/A VAL 21.A N SER 13.A O no hydrogen 2.823 N/A HIS 22.A N GLY 30.A O no hydrogen 2.896 N/A HIS 22.A ND1 GLU 24.A OE2 no hydrogen 2.461 N/A HIS 22.A NE2 ASP 43.A O no hydrogen 3.030 N/A THR 23.A N SER 11.A O no hydrogen 2.758 N/A THR 23.A OG1 ASN 29.A OD1 no hydrogen 2.739 N/A GLU 24.A N SER 28.A O no hydrogen 2.919 N/A LEU 25.A N THR 9.A O no hydrogen 3.089 N/A SER 28.A N GLU 24.A O no hydrogen 2.936 N/A ASN 29.A N GLY 196.A O no hydrogen 2.833 N/A ASN 29.A ND2 PRO 195.A O no hydrogen 2.908 N/A ASN 29.A ND2 GLY 198.A O no hydrogen 2.786 N/A GLY 30.A N HIS 22.A O no hydrogen 2.765 N/A LEU 31.A N VAL 42.A O no hydrogen 2.977 N/A VAL 32.A N TRP 20.A O no hydrogen 2.784 N/A LEU 33.A N VAL 40.A O no hydrogen 2.749 N/A ASN 34.A N ASN 18.A O no hydrogen 2.803 N/A THR 35.A N GLY 38.A O no hydrogen 3.102 N/A THR 35.A OG1 GLY 38.A O no hydrogen 2.701 N/A LYS 37.A N THR 35.A OG1 no hydrogen 3.061 N/A GLY 38.A N THR 35.A O no hydrogen 3.381 N/A LEU 39.A N ARG 65.A O no hydrogen 2.730 N/A VAL 40.A N LEU 33.A O no hydrogen 2.970 N/A LEU 41.A N ASP 68.A O no hydrogen 3.001 N/A VAL 42.A N LEU 31.A O no hydrogen 2.937 N/A ASP 43.A N ILE 70.A O no hydrogen 2.676 N/A SER 44.A OG SER 45.A O no hydrogen 3.297 N/A SER 44.A OG ARG 78.A O no hydrogen 2.733 N/A SER 45.A N THR 51.A OG1 no hydrogen 3.090 N/A SER 45.A OG GLU 24.A OE1 no hydrogen 2.775 N/A TRP 46.A N SER 45.A OG no hydrogen 2.812 N/A TRP 46.A NE1 GLU 24.A O no hydrogen 3.302 N/A LEU 50.A N ASP 47.A OD1 no hydrogen 2.927 N/A THR 51.A N ASP 47.A O no hydrogen 3.033 N/A THR 51.A OG1 ASP 47.A O no hydrogen 2.870 N/A LYS 52.A N ASP 48.A O no hydrogen 2.887 N/A GLU 53.A N LYS 49.A O no hydrogen 3.100 N/A LEU 54.A N LEU 50.A O no hydrogen 2.866 N/A ILE 55.A N THR 51.A O no hydrogen 2.963 N/A GLU 56.A N LYS 52.A O no hydrogen 2.936 N/A MET 57.A N GLU 53.A O no hydrogen 2.977 N/A VAL 58.A N LEU 54.A O no hydrogen 3.032 N/A GLU 59.A N ILE 55.A O no hydrogen 2.841 N/A LYS 60.A N GLU 56.A O no hydrogen 3.152 N/A LYS 61.A N MET 57.A O no hydrogen 3.136 N/A PHE 62.A N VAL 58.A O no hydrogen 2.901 N/A GLN 63.A N GLU 59.A O no hydrogen 2.844 N/A GLN 63.A NE2 LYS 60.A O no hydrogen 2.902 N/A LYS 64.A NZ ASN 34.A OD1 no hydrogen 2.888 N/A LYS 64.A NZ THR 35.A O no hydrogen 2.987 N/A ARG 65.A NH2 GLU 59.A OE1 no hydrogen 2.908 N/A VAL 66.A N GLU 59.A OE2 no hydrogen 2.861 N/A THR 67.A N LEU 39.A O no hydrogen 2.941 N/A THR 67.A OG1 LEU 39.A O no hydrogen 3.467 N/A THR 67.A OG1 ASP 68.A OD1 no hydrogen 2.660 N/A VAL 69.A N LYS 91.A O no hydrogen 2.865 N/A ILE 70.A N LEU 41.A O no hydrogen 2.806 N/A ILE 71.A N HIS 93.A O no hydrogen 2.923 N/A THR 72.A N ASP 43.A OD2 no hydrogen 2.813 N/A THR 72.A OG1 ASP 43.A OD1 no hydrogen 2.492 N/A THR 72.A OG1 ASP 43.A OD2 no hydrogen 3.097 N/A ALA 74.A N ASP 139.A OD2 no hydrogen 2.992 N/A HIS 75.A NE2 ASP 170.A OD2 no hydrogen 2.644 N/A ARG 78.A N HIS 75.A O no hydrogen 2.855 N/A ARG 78.A NH1 ASN 29.A O no hydrogen 3.553 N/A ARG 78.A NH1 GLY 196.A O no hydrogen 2.844 N/A ARG 78.A NH2 ASN 29.A O no hydrogen 2.732 N/A ILE 79.A N HIS 75.A O no hydrogen 2.913 N/A GLY 80.A N ALA 76.A O no hydrogen 2.840 N/A GLY 81.A N SER 44.A OG no hydrogen 3.138 N/A ILE 82.A N ILE 79.A O no hydrogen 2.948 N/A THR 84.A N ASP 48.A OD1 no hydrogen 2.995 N/A THR 84.A OG1 ASP 48.A OD1 no hydrogen 2.595 N/A LEU 85.A N GLY 81.A O no hydrogen 3.107 N/A LYS 86.A N ILE 82.A O no hydrogen 2.955 N/A LYS 86.A NZ GLU 109.A O no hydrogen 2.603 N/A GLU 87.A N LYS 83.A O no hydrogen 2.968 N/A ARG 88.A N THR 84.A O no hydrogen 3.062 N/A ARG 88.A N LEU 85.A O no hydrogen 3.145 N/A ARG 88.A NH1 GLU 56.A OE2 no hydrogen 3.279 N/A ARG 88.A NH2 GLU 56.A OE2 no hydrogen 2.962 N/A GLY 89.A N LYS 86.A O no hydrogen 3.237 N/A ILE 90.A N LEU 85.A O no hydrogen 3.036 N/A LYS 91.A N THR 67.A O no hydrogen 3.150 N/A HIS 93.A N VAL 69.A O no hydrogen 2.816 N/A HIS 93.A ND1 ASP 113.A OD2 no hydrogen 2.577 N/A HIS 93.A NE2 ASP 68.A OD2 no hydrogen 2.665 N/A SER 94.A N ASP 113.A OD1 no hydrogen 3.148 N/A SER 94.A OG THR 95.A O no hydrogen 2.836 N/A THR 95.A OG1 THR 98.A OG1 no hydrogen 2.971 N/A THR 98.A N THR 95.A OG1 no hydrogen 3.048 N/A THR 98.A OG1 THR 95.A OG1 no hydrogen 2.971 N/A THR 98.A OG1 ASP 139.A OD2 no hydrogen 2.810 N/A ALA 99.A N THR 95.A O no hydrogen 3.065 N/A GLU 100.A N ALA 96.A O no hydrogen 2.905 N/A LEU 101.A N LEU 97.A O no hydrogen 2.956 N/A ALA 102.A N THR 98.A O no hydrogen 2.853 N/A LYS 103.A N ALA 99.A O no hydrogen 2.801 N/A LYS 104.A N GLU 100.A O no hydrogen 2.841 N/A ASN 105.A N LEU 101.A O no hydrogen 2.995 N/A ASN 105.A N ALA 102.A O no hydrogen 3.151 N/A GLY 106.A N LYS 103.A O no hydrogen 3.205 N/A TYR 107.A N ALA 102.A O no hydrogen 2.960 N/A LEU 111.A N ALA 92.A O no hydrogen 2.784 N/A GLY 112.A N SER 94.A OG no hydrogen 3.189 N/A ASP 113.A N ASP 113.A OD1 no hydrogen 2.667 N/A LEU 114.A N SER 94.A O no hydrogen 2.901 N/A GLN 115.A N THR 118.A OG1 no hydrogen 2.813 N/A GLN 115.A NE2 ASP 113.A O no hydrogen 3.128 N/A THR 118.A N THR 129.A O no hydrogen 3.039 N/A ASN 119.A ND2 GLU 128.A OE1 no hydrogen 3.015 N/A LEU 120.A N VAL 127.A O no hydrogen 2.780 N/A PHE 122.A N MET 125.A O no hydrogen 2.874 N/A MET 125.A N PHE 122.A O no hydrogen 2.955 N/A LYS 126.A N GLN 147.A OE1 no hydrogen 3.067 N/A VAL 127.A N LEU 120.A O no hydrogen 2.910 N/A GLU 128.A N TRP 144.A O no hydrogen 2.812 N/A THR 129.A N THR 118.A O no hydrogen 2.858 N/A PHE 130.A N VAL 142.A O no hydrogen 2.989 N/A TYR 131.A N THR 116.A O no hydrogen 2.881 N/A TYR 131.A OH GLU 138.A O no hydrogen 2.675 N/A GLY 135.A N THR 137.A O no hydrogen 3.020 N/A THR 137.A N ASN 140.A OD1 no hydrogen 3.170 N/A THR 137.A OG1 ASP 139.A OD1 no hydrogen 2.787 N/A ASN 140.A ND2 GLY 133.A O no hydrogen 2.857 N/A ASN 140.A ND2 ASN 140.A O no hydrogen 2.805 N/A ILE 141.A N THR 72.A O no hydrogen 2.993 N/A VAL 142.A N PHE 130.A O no hydrogen 2.884 N/A VAL 143.A N VAL 152.A O no hydrogen 3.121 N/A TRP 144.A N GLU 128.A O no hydrogen 2.756 N/A LEU 145.A N ILE 150.A O no hydrogen 2.876 N/A GLN 147.A NE2 ASN 124.A O no hydrogen 2.838 N/A TYR 148.A N LEU 145.A O no hydrogen 3.084 N/A ASN 149.A ND2 ASN 189.A OD1 no hydrogen 3.137 N/A ILE 150.A N LEU 145.A O no hydrogen 3.432 N/A LEU 151.A N ALA 192.A O no hydrogen 2.880 N/A VAL 152.A N VAL 143.A O no hydrogen 2.686 N/A GLY 153.A N VAL 194.A O no hydrogen 2.801 N/A CYS 155.A SG.A ASP 77.A OD2 no hydrogen 3.713 N/A CYS 155.A SG.A HIS 197.A NE2 no hydrogen 3.212 N/A CYS 155.A SG.B ASP 77.A OD2 no hydrogen 3.477 N/A CYS 155.A SG.B HIS 197.A NE2 no hydrogen 3.839 N/A VAL 157.A N GLY 154.A O.A no hydrogen 3.061 N/A VAL 157.A N GLY 154.A O.B no hydrogen 3.174 N/A LYS 158.A N THR 209.A OG1 no hydrogen 2.946 N/A LYS 158.A NZ LEU 165.A O no hydrogen 3.083 N/A SER 159.A OG SER 161.A OG no hydrogen 2.863 N/A SER 161.A OG SER 159.A OG no hydrogen 2.863 N/A ALA 162.A N SER 159.A O no hydrogen 2.963 N/A LYS 163.A NZ THR 160.A O no hydrogen 2.728 N/A GLY 166.A N ASP 164.A OD1 no hydrogen 2.946 N/A ALA 169.A N ASN 167.A OD1 no hydrogen 3.189 N/A ALA 171.A N VAL 168.A O no hydrogen 3.243 N/A TYR 172.A N GLY 135.A O no hydrogen 2.796 N/A TRP 176.A N TYR 172.A O no hydrogen 2.883 N/A TRP 176.A NE1 LEU 156.A O no hydrogen 2.860 N/A SER 179.A N GLU 175.A O no hydrogen 2.972 N/A SER 179.A OG PRO 132.A O no hydrogen 3.450 N/A SER 179.A OG LYS 134.A O no hydrogen 2.716 N/A SER 179.A OG GLU 175.A O no hydrogen 3.178 N/A ILE 180.A N TRP 176.A O no hydrogen 3.005 N/A GLU 181.A N SER 177.A O no hydrogen 2.957 N/A ASN 182.A N THR 178.A O no hydrogen 2.808 N/A ASN 182.A ND2 PRO 132.A O no hydrogen 2.827 N/A VAL 183.A N SER 179.A O no hydrogen 3.106 N/A LEU 184.A N ILE 180.A O no hydrogen 2.896 N/A LYS 185.A N GLU 181.A O no hydrogen 2.914 N/A ARG 186.A N ASN 182.A O no hydrogen 3.082 N/A ARG 186.A NE GLU 128.A OE2 no hydrogen 2.928 N/A ARG 186.A NH2 GLU 128.A OE1 no hydrogen 3.011 N/A ARG 186.A NH2 GLU 128.A OE2 no hydrogen 3.329 N/A TYR 187.A N VAL 183.A O no hydrogen 2.913 N/A TYR 187.A OH GLU 128.A OE2 no hydrogen 2.646 N/A ASN 191.A N ASN 149.A O no hydrogen 2.769 N/A ASN 191.A ND2 TYR 148.A O no hydrogen 2.853 N/A VAL 193.A N GLY 201.A O no hydrogen 2.833 N/A VAL 194.A N LEU 151.A O no hydrogen 2.750 N/A GLY 196.A N GLY 154.A O.A no hydrogen 2.809 N/A GLY 196.A N GLY 154.A O.B no hydrogen 2.824 N/A HIS 197.A ND1 PRO 27.A O no hydrogen 2.447 N/A GLY 201.A N VAL 193.A O no hydrogen 2.962 N/A GLY 204.A N ASP 202.A OD1 no hydrogen 2.874 N/A LEU 205.A N ASP 202.A O no hydrogen 2.950 N/A LEU 206.A N LYS 203.A O no hydrogen 2.873 N/A LEU 207.A N LYS 203.A O no hydrogen 3.250 N/A HIS 208.A N GLY 204.A O no hydrogen 2.698 N/A HIS 208.A NE2 ALA 162.A O no hydrogen 2.758 N/A THR 209.A N LEU 205.A O no hydrogen 2.985 N/A THR 209.A OG1 LEU 205.A O no hydrogen 2.884 N/A LEU 210.A N LEU 206.A O no hydrogen 3.002 N/A ASP 211.A N LEU 207.A O no hydrogen 3.022 N/A LEU 212.A N HIS 208.A O no hydrogen 3.010 N/A LEU 213.A N THR 209.A O no hydrogen 3.174 N/A LEU 213.A N LEU 210.A O no hydrogen 3.291 N/A LYS 214.A N ASP 211.A O no hydrogen 3.048 N/A