Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aba_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 122.A O no hydrogen 3.418 N/A ILE 1.A N ASN 123.A O no hydrogen 2.936 N/A ILE 1.A N ASP 176.A OD1 no hydrogen 3.521 N/A ILE 1.A N ASP 176.A OD2 no hydrogen 2.693 N/A VAL 2.A N ASP 171.A O no hydrogen 2.765 N/A TYR 5.A N CYS 137.A O no hydrogen 2.866 N/A CYS 7.A N LEU 135.A O no hydrogen 3.107 N/A CYS 7.A SG LEU 135.A O no hydrogen 3.472 N/A THR 11.A N GLY 8.A O no hydrogen 3.222 N/A THR 11.A OG1 CYS 7.A O no hydrogen 3.196 N/A THR 11.A OG1 GLY 8.A O no hydrogen 2.816 N/A GLN 15.A N VAL 12.A O no hydrogen 3.022 N/A GLN 15.A NE2 VAL 16.A O.A no hydrogen 3.200 N/A GLN 15.A NE2 VAL 16.A O.B no hydrogen 3.043 N/A VAL 16.A N.A GLY 27.A O no hydrogen 2.976 N/A VAL 16.A N.B GLY 27.A O no hydrogen 2.884 N/A SER 17.A N ARG 49.A O no hydrogen 2.995 N/A SER 17.A OG HIS 23.A ND1 no hydrogen 2.736 N/A LEU 18.A N CYS 25.A O no hydrogen 2.839 N/A ASN 19.A N GLN 47.A O no hydrogen 2.881 N/A SER 20.A N TYR 22.A O no hydrogen 2.990 N/A SER 20.A OG TYR 22.A OH no hydrogen 3.229 N/A HIS 23.A ND1 SER 17.A OG no hydrogen 2.736 N/A HIS 23.A NE2 GLY 175.A O no hydrogen 2.998 N/A PHE 24.A N LEU 18.A O no hydrogen 2.970 N/A CYS 25.A SG PHE 24.A O no hydrogen 3.000 N/A GLY 26.A N SER 177.A O.A no hydrogen 2.815 N/A GLY 26.A N SER 177.A O.B no hydrogen 2.784 N/A GLY 27.A N VAL 16.A O.A no hydrogen 3.085 N/A GLY 27.A N VAL 16.A O.B no hydrogen 3.282 N/A SER 28.A N VAL 36.A O.A no hydrogen 2.850 N/A SER 28.A N VAL 36.A O.B no hydrogen 2.915 N/A SER 28.A N VAL 36.A O.C no hydrogen 2.922 N/A LEU 29.A N TYR 14.A O no hydrogen 2.884 N/A ILE 30.A N TRP 34.A O no hydrogen 2.931 N/A ASN 31.A N TRP 34.A O no hydrogen 3.491 N/A GLN 33.A N.A ASN 31.A OD1 no hydrogen 2.860 N/A GLN 33.A N.B ASN 31.A OD1 no hydrogen 2.840 N/A TRP 34.A N ASN 31.A O no hydrogen 3.433 N/A VAL 35.A N ILE 88.A O.A no hydrogen 2.850 N/A VAL 35.A N ILE 88.A O.B no hydrogen 2.892 N/A VAL 36.A N.A SER 28.A O no hydrogen 2.815 N/A VAL 36.A N.B SER 28.A O no hydrogen 2.870 N/A VAL 36.A N.C SER 28.A O no hydrogen 2.839 N/A SER 37.A N MET 86.A O.A no hydrogen 2.930 N/A SER 37.A N MET 86.A O.B no hydrogen 2.818 N/A SER 37.A OG GLY 26.A O no hydrogen 2.815 N/A ALA 38.A N SER 37.A OG no hydrogen 2.784 N/A HIS 40.A N ASP 84.A OD1 no hydrogen 2.844 N/A HIS 40.A ND1 ASP 84.A OD2 no hydrogen 2.765 N/A HIS 40.A NE2 SER 177.A OG.A no hydrogen 2.940 N/A HIS 40.A NE2 SER 177.A OG.B no hydrogen 2.841 N/A CYS 41.A N ALA 38.A O no hydrogen 2.972 N/A CYS 41.A SG SER 177.A O.A no hydrogen 3.564 N/A TYR 42.A N ALA 39.A O no hydrogen 2.950 N/A LYS 43.A NZ.A SER 20.A OG no hydrogen 2.902 N/A LYS 43.A NZ.B SER 20.A OG no hydrogen 2.811 N/A LYS 43.A NZ.B TYR 22.A OH no hydrogen 2.794 N/A GLN 47.A N ASN 19.A O no hydrogen 2.853 N/A VAL 48.A N ILE 65.A O no hydrogen 2.834 N/A ARG 49.A N SER 17.A O no hydrogen 2.836 N/A ARG 49.A NE GLN 47.A OE1 no hydrogen 2.832 N/A ARG 49.A NH2 GLN 47.A OE1 no hydrogen 2.961 N/A LEU 50.A N.A GLN 63.A O no hydrogen 2.869 N/A LEU 50.A N.B GLN 63.A O no hydrogen 2.872 N/A ASN 54.A N GLU 59.A OE1 no hydrogen 2.914 N/A ILE 55.A N ASP 133.A O.A no hydrogen 2.968 N/A ILE 55.A N ASP 133.A O.B no hydrogen 2.885 N/A ASN 56.A N ASN 54.A OD1 no hydrogen 2.813 N/A ASN 56.A ND2.A ASP 133.A OD1.B no hydrogen 2.976 N/A VAL 57.A N ASN 54.A O no hydrogen 3.354 N/A GLU 59.A N GLU 62.A OE2 no hydrogen 2.817 N/A GLY 60.A N GLU 62.A OE1 no hydrogen 2.851 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.892 N/A GLN 63.A N LEU 50.A O.A no hydrogen 2.950 N/A GLN 63.A N LEU 50.A O.B no hydrogen 2.915 N/A GLN 63.A NE2 SER 95.A O.A no hydrogen 2.849 N/A GLN 63.A NE2 SER 95.A O.B no hydrogen 2.910 N/A ILE 65.A N VAL 48.A O no hydrogen 2.897 N/A ALA 67.A N ILE 46.A O no hydrogen 2.981 N/A SER 68.A N LYS 89.A O no hydrogen 2.773 N/A SER 68.A OG LYS 89.A O no hydrogen 3.336 N/A LYS 69.A NZ.A ASN 223.A OD1 no hydrogen 2.817 N/A LYS 69.A NZ.B ASN 223.A OXT no hydrogen 2.697 N/A ILE 71.A N LEU 87.A O no hydrogen 2.785 N/A HIS 73.A N ILE 85.A O no hydrogen 3.055 N/A SER 75.A N HIS 73.A ND1 no hydrogen 2.950 N/A TYR 76.A N HIS 73.A O no hydrogen 3.074 N/A ASN 77.A N ASN 82.A O no hydrogen 3.046 N/A ASN 79.A N ASN 77.A OD1 no hydrogen 2.776 N/A THR 80.A N ASN 77.A OD1 no hydrogen 2.976 N/A ASN 82.A N THR 80.A OG1 no hydrogen 3.135 N/A ASN 83.A ND2 SER 75.A O no hydrogen 3.007 N/A ILE 85.A N ASN 83.A O no hydrogen 2.902 N/A MET 86.A N.A SER 37.A O no hydrogen 2.945 N/A MET 86.A N.B SER 37.A O no hydrogen 2.966 N/A LEU 87.A N ILE 71.A O no hydrogen 2.872 N/A ILE 88.A N.A VAL 35.A O no hydrogen 2.842 N/A ILE 88.A N.B VAL 35.A O no hydrogen 2.793 N/A LYS 89.A N LYS 69.A O no hydrogen 2.861 N/A LYS 89.A NZ ASN 223.A O no hydrogen 3.506 N/A LYS 89.A NZ ASN 223.A OXT no hydrogen 2.790 N/A LEU 90.A N GLN 33.A O.A no hydrogen 2.775 N/A LEU 90.A N GLN 33.A O.B no hydrogen 2.885 N/A LYS 91.A N SER 66.A O no hydrogen 2.867 N/A ALA 94.A N SER 32.A O no hydrogen 2.833 N/A SER 95.A N.A GLN 63.A OE1 no hydrogen 2.849 N/A SER 95.A N.B GLN 63.A OE1 no hydrogen 2.895 N/A ASN 97.A N VAL 100.A O no hydrogen 2.828 N/A ARG 99.A N.A ASN 97.A OD1 no hydrogen 2.833 N/A ARG 99.A N.B ASN 97.A OD1 no hydrogen 2.782 N/A VAL 100.A N ASN 97.A O no hydrogen 3.340 N/A ALA 101.A N PRO 13.A O no hydrogen 3.098 N/A ILE 103.A N LEU 29.A O no hydrogen 2.878 N/A SER 104.A OG.B LEU 105.A O no hydrogen 2.982 N/A ALA 110.A N GLN 188.A OE1.B no hydrogen 3.026 N/A GLY 113.A N ILE 142.A O no hydrogen 2.797 N/A THR 114.A N.A SER 111.A O no hydrogen 3.010 N/A THR 114.A N.B SER 111.A O no hydrogen 3.135 N/A THR 114.A OG1.A SER 111.A O no hydrogen 2.659 N/A CYS 116.A N ALA 140.A O no hydrogen 2.877 N/A CYS 116.A SG THR 114.A O.A no hydrogen 3.727 N/A CYS 116.A SG THR 114.A O.B no hydrogen 3.958 N/A LEU 117.A N VAL 182.A O no hydrogen 2.756 N/A ILE 118.A N LEU 138.A O no hydrogen 2.858 N/A SER 119.A OG GLN 15.A OE1 no hydrogen 2.726 N/A GLY 120.A N LYS 136.A O no hydrogen 2.942 N/A TRP 121.A NE1 ASP 53.A O no hydrogen 2.873 N/A GLY 122.A N ASP 176.A OD1 no hydrogen 2.757 N/A ASN 123.A N GLN 174.A O.A no hydrogen 2.827 N/A ASN 123.A N GLN 174.A O.B no hydrogen 2.843 N/A ASN 123.A N GLN 174.A O.C no hydrogen 2.822 N/A ASN 123.A ND2 GLY 128.A O no hydrogen 3.099 N/A THR 124.A N SER 130.A O no hydrogen 2.901 N/A THR 124.A OG1 SER 130.A O no hydrogen 3.217 N/A LYS 125.A N.A ASN 123.A OD1 no hydrogen 2.995 N/A LYS 125.A N.B ASN 123.A OD1 no hydrogen 2.960 N/A SER 130.A N ASN 123.A OD1 no hydrogen 3.009 N/A TYR 131.A OH GLN 174.A OE1.A no hydrogen 2.528 N/A LEU 135.A N ASP 53.A OD1 no hydrogen 3.382 N/A LYS 136.A N GLY 120.A O no hydrogen 3.068 N/A LYS 136.A NZ THR 6.A OG1 no hydrogen 2.794 N/A CYS 137.A N TYR 5.A O no hydrogen 2.793 N/A LEU 138.A N ILE 118.A O no hydrogen 2.836 N/A ALA 140.A N CYS 116.A O no hydrogen 2.920 N/A ILE 142.A N THR 114.A O.A no hydrogen 2.960 N/A ILE 142.A N THR 114.A O.B no hydrogen 2.937 N/A LEU 143.A N CYS 162.A O no hydrogen 2.857 N/A SER 144.A OG.A SER 146.A OG no hydrogen 3.316 N/A SER 144.A OG.A SER 147.A OG.A no hydrogen 2.993 N/A SER 146.A OG SER 144.A OG.A no hydrogen 3.316 N/A SER 147.A N.A SER 144.A OG.A no hydrogen 3.033 N/A SER 147.A N.B SER 144.A OG.A no hydrogen 2.968 N/A SER 147.A OG.A SER 144.A O.A no hydrogen 3.148 N/A SER 147.A OG.A SER 144.A O.B no hydrogen 3.126 N/A SER 147.A OG.A SER 144.A OG.A no hydrogen 2.993 N/A SER 147.A OG.B SER 144.A OG.A no hydrogen 3.050 N/A CYS 148.A N SER 144.A O.A no hydrogen 2.930 N/A CYS 148.A N SER 144.A O.B no hydrogen 2.887 N/A LYS 149.A N.A ASP 145.A O no hydrogen 2.957 N/A LYS 149.A N.B ASP 145.A O no hydrogen 2.860 N/A LYS 149.A NZ.A ASP 145.A OD2.A no hydrogen 2.997 N/A SER 150.A N.A SER 146.A O no hydrogen 3.067 N/A SER 150.A N.B SER 146.A O no hydrogen 2.789 N/A SER 150.A OG.A SER 146.A O no hydrogen 3.039 N/A ALA 151.A N SER 147.A O.A no hydrogen 2.942 N/A ALA 151.A N SER 147.A O.B no hydrogen 2.973 N/A TYR 152.A N CYS 148.A O no hydrogen 3.057 N/A TYR 152.A N LYS 149.A O.B no hydrogen 3.291 N/A TYR 152.A OH PRO 203.A O no hydrogen 2.705 N/A GLN 155.A N.A TYR 152.A O no hydrogen 3.158 N/A GLN 155.A N.B TYR 152.A O no hydrogen 3.143 N/A GLN 155.A NE2.A PRO 153.A O no hydrogen 2.951 N/A THR 157.A OG1 ASN 82.A OD1 no hydrogen 2.752 N/A ASN 159.A N THR 157.A OG1 no hydrogen 3.070 N/A ASN 159.A ND2 ASN 82.A OD1 no hydrogen 3.035 N/A MET 160.A N THR 157.A O no hydrogen 3.122 N/A PHE 161.A N TYR 206.A O no hydrogen 2.942 N/A ALA 163.A N GLY 204.A O no hydrogen 3.080 N/A GLY 164.A N PRO 141.A O no hydrogen 2.950 N/A GLU 167.A N.A GLU 167.A OE1.A no hydrogen 2.773 N/A GLY 168.A N TYR 165A.A O no hydrogen 2.947 N/A GLY 169.A N ALA 198.A O no hydrogen 2.883 N/A ASP 171.A N VAL 2.A O no hydrogen 2.968 N/A SER 172.A OG TYR 206.A OH no hydrogen 2.793 N/A CYS 173.A N ASP 176.A OD2 no hydrogen 2.815 N/A CYS 173.A SG GLN 174.A OE1.C no hydrogen 3.543 N/A GLN 174.A NE2.C TYR 131.A OH no hydrogen 3.075 N/A ASP 176.A N CYS 173.A O no hydrogen 2.937 N/A SER 177.A OG.A HIS 40.A NE2 no hydrogen 2.940 N/A SER 177.A OG.B HIS 40.A NE2 no hydrogen 2.841 N/A GLY 178.A N VAL 191.A O no hydrogen 2.866 N/A GLY 179.A N ASP 176.A O no hydrogen 2.989 N/A VAL 181.A N GLY 189.A O no hydrogen 2.949 N/A VAL 182.A N LEU 117.A O no hydrogen 2.938 N/A CYS 183.A N LYS 186.A O no hydrogen 2.891 N/A LYS 186.A N CYS 183.A O no hydrogen 2.985 N/A LYS 186.A NZ SER 104.A OG.B no hydrogen 3.299 N/A LEU 187.A N SER 104.A O.A no hydrogen 2.903 N/A LEU 187.A N SER 104.A O.B no hydrogen 2.871 N/A GLN 188.A N.A VAL 181.A O no hydrogen 2.917 N/A GLN 188.A N.B VAL 181.A O no hydrogen 2.880 N/A GLN 188.A NE2.A SER 108.A O no hydrogen 3.009 N/A GLN 188.A NE2.B SER 108.A O no hydrogen 3.131 N/A GLY 189.A N VAL 181.A O no hydrogen 3.044 N/A ILE 190.A N.A THR 207.A O no hydrogen 3.273 N/A ILE 190.A N.B THR 207.A O no hydrogen 3.252 N/A VAL 191.A N GLY 179.A O no hydrogen 2.880 N/A SER 192.A N VAL 205.A O no hydrogen 3.193 N/A SER 192.A OG ASP 84.A OD2 no hydrogen 2.673 N/A TRP 193.A N VAL 205.A O no hydrogen 3.033 N/A SER 195.A N.B TYR 152.A OH no hydrogen 3.174 N/A CYS 197.A SG SER 172.A O no hydrogen 3.795 N/A ALA 198.A N ASP 171.A OD2 no hydrogen 2.845 N/A ASN 201.A N LEU 166.A O no hydrogen 2.746 N/A LYS 202.A N GLN 199A.A O no hydrogen 3.161 N/A LYS 202.A NZ ALA 151.A O no hydrogen 2.842 N/A VAL 205.A N TRP 193.A O no hydrogen 2.777 N/A TYR 206.A N PHE 161.A O no hydrogen 2.806 N/A TYR 206.A OH SER 172.A OG no hydrogen 2.793 N/A THR 207.A N ILE 190.A O.A no hydrogen 2.957 N/A THR 207.A N ILE 190.A O.B no hydrogen 3.027 N/A THR 207.A OG1 ASP 84.A O no hydrogen 2.824 N/A LYS 208.A N ASN 159.A O no hydrogen 2.906 N/A VAL 209.A N GLN 188.A O.A no hydrogen 3.030 N/A VAL 209.A N GLN 188.A O.B no hydrogen 3.086 N/A CYS 210.A SG ASN 211.A OD1 no hydrogen 3.631 N/A ASN 211.A N LYS 208.A O no hydrogen 3.056 N/A ASN 211.A ND2 SER 158.A O no hydrogen 2.931 N/A ASN 211.A ND2 ASN 159.A OD1 no hydrogen 2.871 N/A TYR 212.A N VAL 209.A O no hydrogen 2.849 N/A TYR 212.A OH ASN 83.A OD1 no hydrogen 2.652 N/A ILE 216.A N TYR 212.A O no hydrogen 2.833 N/A LYS 217.A N VAL 213.A O no hydrogen 2.903 N/A GLN 218.A N.A SER 214.A O.A no hydrogen 3.089 N/A GLN 218.A N.A SER 214.A O.B no hydrogen 2.873 N/A GLN 218.A N.A SER 214.A O.C no hydrogen 2.916 N/A GLN 218.A N.B SER 214.A O.A no hydrogen 3.082 N/A GLN 218.A N.B SER 214.A O.B no hydrogen 2.865 N/A GLN 218.A N.B SER 214.A O.C no hydrogen 2.908 N/A THR 219.A N TRP 215.A O no hydrogen 2.884 N/A THR 219.A OG1 TRP 215.A O no hydrogen 2.818 N/A ILE 220.A N ILE 216.A O no hydrogen 2.926 N/A ALA 221.A N LYS 217.A O no hydrogen 2.975 N/A SER 222.A N THR 219.A O no hydrogen 3.249 N/A ASN 223.A N ILE 220.A O no hydrogen 3.412 N/A ASN 223.A ND2 THR 219.A O no hydrogen 2.869 N/A TYR 165A.A OH LYS 139.A O no hydrogen 2.792 N/A GLN 199A.A NE2 CYS 197.A O no hydrogen 3.039 N/A