Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ajo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N SER 2.A OG no hydrogen 3.224 N/A ARG 5.A N SER 2.A O no hydrogen 3.175 N/A ARG 5.A NE TYR 8.A O no hydrogen 2.912 N/A ARG 5.A NH1 GLU 13.A OE2 no hydrogen 2.960 N/A ARG 5.A NH2 TYR 8.A O no hydrogen 2.908 N/A ARG 5.A NH2 GLU 13.A OE2 no hydrogen 2.806 N/A ASN 7.A ND2 ASN 121.A O no hydrogen 2.958 N/A TYR 8.A OH GLN 69.A OE1 no hydrogen 2.704 N/A ASP 11.A N HIS 9.A ND1 no hydrogen 2.860 N/A GLU 13.A N HIS 9.A O no hydrogen 3.044 N/A ALA 14.A N GLN 10.A O no hydrogen 3.036 N/A ALA 15.A N ASP 11.A O no hydrogen 2.947 N/A ILE 16.A N SER 12.A O no hydrogen 2.836 N/A ASN 17.A N GLU 13.A O no hydrogen 3.131 N/A ASN 17.A ND2 ARG 75.A O no hydrogen 3.051 N/A ARG 18.A N ALA 14.A O no hydrogen 2.980 N/A GLN 19.A N ALA 15.A O no hydrogen 2.915 N/A GLN 19.A NE2 GLU 23.A OE1 no hydrogen 2.847 N/A ILE 20.A N ILE 16.A O no hydrogen 2.879 N/A ASN 21.A N ASN 17.A O no hydrogen 3.216 N/A ASN 21.A ND2 ASP 80.A O no hydrogen 2.939 N/A LEU 22.A N ARG 18.A O no hydrogen 3.087 N/A GLU 23.A N GLN 19.A O no hydrogen 2.926 N/A LEU 24.A N ILE 20.A O no hydrogen 3.055 N/A TYR 25.A N ASN 21.A O no hydrogen 2.841 N/A ALA 26.A N LEU 22.A O no hydrogen 2.870 N/A SER 27.A N GLU 23.A O no hydrogen 2.943 N/A SER 27.A OG SER 55.A O no hydrogen 2.855 N/A SER 27.A OG SER 55.A OG no hydrogen 3.198 N/A TYR 28.A N LEU 24.A O no hydrogen 3.045 N/A VAL 29.A N TYR 25.A O no hydrogen 2.925 N/A TYR 30.A N ALA 26.A O no hydrogen 3.067 N/A TYR 30.A OH GLU 103.A OE2 no hydrogen 2.639 N/A LEU 31.A N SER 27.A O no hydrogen 2.977 N/A SER 32.A N TYR 28.A O no hydrogen 2.969 N/A MET 33.A N VAL 29.A O no hydrogen 2.913 N/A SER 34.A N TYR 30.A O no hydrogen 2.890 N/A SER 34.A OG ALA 48.A O no hydrogen 2.698 N/A TYR 35.A N LEU 31.A O no hydrogen 3.256 N/A TYR 36.A N SER 32.A O no hydrogen 3.132 N/A PHE 37.A N MET 33.A O no hydrogen 3.427 N/A PHE 37.A N SER 34.A O no hydrogen 3.080 N/A ASP 38.A N TYR 35.A O no hydrogen 3.109 N/A ARG 39.A N TYR 36.A O no hydrogen 3.147 N/A ARG 39.A NE ASP 41.A OD2 no hydrogen 2.887 N/A ARG 39.A NH2 ASP 41.A OD1 no hydrogen 2.898 N/A ARG 39.A NH2 ASP 41.A OD2 no hydrogen 3.390 N/A VAL 42.A N ARG 39.A O no hydrogen 3.040 N/A LEU 44.A N PHE 37.A O no hydrogen 2.945 N/A ASN 46.A N ASP 167.A OD1 no hydrogen 2.828 N/A ASN 46.A ND2 ASP 167.A O no hydrogen 3.132 N/A ASN 46.A ND2 ASP 167.A OD2 no hydrogen 3.033 N/A PHE 47.A N ASP 167.A OD1 no hydrogen 3.011 N/A ALA 48.A N LEU 44.A O no hydrogen 3.083 N/A LYS 49.A N LYS 45.A O no hydrogen 2.911 N/A LYS 49.A NZ.B LEU 171.A O no hydrogen 2.829 N/A TYR 50.A N ASN 46.A O no hydrogen 2.843 N/A TYR 50.A OH GLU 143.A OE1 no hydrogen 2.629 N/A PHE 51.A N PHE 47.A O no hydrogen 3.016 N/A LEU 52.A N ALA 48.A O no hydrogen 2.979 N/A HIS 53.A N LYS 49.A O no hydrogen 2.998 N/A GLN 54.A N TYR 50.A O no hydrogen 3.082 N/A SER 55.A N PHE 51.A O no hydrogen 2.884 N/A SER 55.A OG SER 27.A O no hydrogen 2.759 N/A SER 55.A OG SER 27.A OG no hydrogen 3.198 N/A HIS 56.A N LEU 52.A O no hydrogen 3.041 N/A GLU 57.A N HIS 53.A O no hydrogen 2.964 N/A GLU 58.A N GLN 54.A O no hydrogen 3.072 N/A ARG 59.A N SER 55.A O no hydrogen 3.178 N/A ARG 59.A NH1 GLU 63.A OE1 no hydrogen 3.062 N/A GLU 60.A N HIS 56.A O no hydrogen 3.115 N/A HIS 61.A N GLU 57.A O no hydrogen 2.930 N/A HIS 61.A ND1 GLU 58.A OE2 no hydrogen 3.053 N/A ALA 62.A N GLU 58.A O no hydrogen 2.937 N/A GLU 63.A N ARG 59.A O no hydrogen 2.935 N/A LYS 64.A N GLU 60.A O no hydrogen 3.003 N/A LYS 64.A NZ HIS 132.A ND1 no hydrogen 3.119 N/A LEU 65.A N HIS 61.A O no hydrogen 3.265 N/A MET 66.A N ALA 62.A O no hydrogen 2.974 N/A LYS 67.A N GLU 63.A O no hydrogen 2.903 N/A LEU 68.A N LYS 64.A O no hydrogen 2.928 N/A GLN 69.A N LEU 65.A O no hydrogen 2.926 N/A GLN 69.A NE2 GLU 13.A O no hydrogen 3.038 N/A GLN 69.A NE2 ASN 17.A OD1 no hydrogen 2.992 N/A ASN 70.A N MET 66.A O no hydrogen 3.217 N/A GLN 71.A N LYS 67.A O no hydrogen 2.826 N/A ARG 72.A N LEU 68.A O no hydrogen 2.954 N/A ARG 72.A NH1 ASP 122.A OD1 no hydrogen 2.937 N/A ARG 72.A NH1 ASP 122.A OD2 no hydrogen 3.301 N/A ARG 72.A NH1 HIS 124.A ND1 no hydrogen 3.044 N/A ARG 72.A NH2 GLN 6.A O no hydrogen 3.102 N/A ARG 72.A NH2 ASP 122.A OD1 no hydrogen 3.375 N/A ARG 72.A NH2 ASP 122.A OD2 no hydrogen 3.149 N/A GLY 73.A N ASN 70.A O no hydrogen 3.122 N/A GLY 74.A N GLN 69.A O no hydrogen 2.898 N/A ARG 75.A N GLU 13.A OE1 no hydrogen 2.795 N/A PHE 77.A N ASN 17.A OD1 no hydrogen 3.136 N/A CYS 86.A SG.B ASP 88.A O no hydrogen 2.743 N/A TRP 89.A NE1 SER 32.A OG no hydrogen 3.133 N/A GLU 90.A N ASP 88.A OD2 no hydrogen 2.752 N/A SER 91.A N TRP 89.A O no hydrogen 2.801 N/A GLY 92.A N GLU 163.A OE2 no hydrogen 2.824 N/A LEU 93.A N GLU 163.A OE1 no hydrogen 2.926 N/A ASN 94.A N SER 91.A OG no hydrogen 2.964 N/A ASN 94.A ND2 TRP 89.A O no hydrogen 2.830 N/A ALA 95.A N SER 91.A O no hydrogen 3.018 N/A MET 96.A N GLY 92.A O no hydrogen 2.995 N/A GLU 97.A N LEU 93.A O no hydrogen 2.895 N/A CYS 98.A N ASN 94.A O no hydrogen 2.897 N/A CYS 98.A SG.A ASN 94.A O no hydrogen 3.349 N/A ALA 99.A N ALA 95.A O no hydrogen 2.880 N/A LEU 100.A N MET 96.A O no hydrogen 2.897 N/A HIS 101.A N GLU 97.A O no hydrogen 3.022 N/A LEU 102.A N CYS 98.A O no hydrogen 2.872 N/A GLU 103.A N ALA 99.A O no hydrogen 2.847 N/A LYS 104.A N LEU 100.A O no hydrogen 3.012 N/A ASN 105.A N HIS 101.A O no hydrogen 2.914 N/A ASN 105.A ND2 HIS 101.A NE2 no hydrogen 3.147 N/A VAL 106.A N LEU 102.A O no hydrogen 2.883 N/A ASN 107.A N GLU 103.A O no hydrogen 2.894 N/A GLN 108.A N LYS 104.A O no hydrogen 2.941 N/A SER 109.A N ASN 105.A O no hydrogen 3.055 N/A SER 109.A OG GLN 19.A OE1 no hydrogen 2.641 N/A LEU 110.A N VAL 106.A O no hydrogen 2.938 N/A LEU 111.A N ASN 107.A O no hydrogen 2.849 N/A GLU 112.A N GLN 108.A O no hydrogen 2.913 N/A LEU 113.A N SER 109.A O no hydrogen 2.902 N/A HIS 114.A N LEU 110.A O no hydrogen 2.877 N/A HIS 114.A NE2 GLU 130.A OE2 no hydrogen 2.664 N/A LYS 115.A N LEU 111.A O no hydrogen 2.900 N/A LEU 116.A N GLU 112.A O no hydrogen 2.967 N/A ALA 117.A N LEU 113.A O no hydrogen 2.899 N/A THR 118.A N HIS 114.A O no hydrogen 2.841 N/A THR 118.A OG1 HIS 114.A ND1 no hydrogen 3.317 N/A THR 118.A OG1 HIS 114.A O no hydrogen 2.960 N/A ASP 119.A N LYS 115.A O no hydrogen 2.845 N/A LYS 120.A N LEU 116.A O no hydrogen 2.937 N/A LYS 120.A NZ HIS 9.A NE2 no hydrogen 3.556 N/A ASN 121.A N THR 118.A O no hydrogen 3.021 N/A ASP 122.A N ALA 117.A O no hydrogen 2.894 N/A LEU 125.A N ASP 122.A OD1 no hydrogen 2.984 N/A CYS 126.A N ASP 122.A O no hydrogen 3.047 N/A CYS 126.A SG THR 118.A OG1 no hydrogen 3.498 N/A CYS 126.A SG ASP 122.A O no hydrogen 3.491 N/A ASP 127.A N PRO 123.A O no hydrogen 2.956 N/A PHE 128.A N HIS 124.A O no hydrogen 2.920 N/A ILE 129.A N LEU 125.A O no hydrogen 2.994 N/A GLU 130.A N CYS 126.A O no hydrogen 2.935 N/A THR 131.A N ASP 127.A O no hydrogen 2.822 N/A THR 131.A OG1 ASP 127.A O no hydrogen 2.803 N/A THR 131.A OG1 ASP 127.A OD1 no hydrogen 3.321 N/A HIS 132.A N PHE 128.A O no hydrogen 3.057 N/A TYR 133.A N ILE 129.A O no hydrogen 2.945 N/A TYR 133.A OH HIS 61.A O no hydrogen 2.724 N/A LEU 134.A N ILE 129.A O no hydrogen 2.976 N/A GLN 137.A N TYR 133.A O no hydrogen 2.946 N/A GLN 137.A NE2 GLU 103.A O no hydrogen 3.024 N/A GLN 137.A NE2 GLU 103.A OE1 no hydrogen 2.885 N/A VAL 138.A N LEU 134.A O no hydrogen 3.112 N/A LYS 139.A N ASN 135.A O no hydrogen 2.883 N/A LYS 139.A NZ GLU 136.A OE1.B no hydrogen 3.493 N/A ALA 140.A N GLU 136.A O no hydrogen 2.931 N/A ILE 141.A N GLN 137.A O no hydrogen 2.881 N/A LYS 142.A N VAL 138.A O no hydrogen 3.010 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 2.851 N/A LYS 142.A NZ ASP 146.A OD2 no hydrogen 3.166 N/A GLU 143.A N LYS 139.A O no hydrogen 2.956 N/A LEU 144.A N ALA 140.A O no hydrogen 2.958 N/A GLY 145.A N ILE 141.A O no hydrogen 2.885 N/A ASP 146.A N LYS 142.A O no hydrogen 2.890 N/A HIS 147.A N GLU 143.A O no hydrogen 2.907 N/A VAL 148.A N LEU 144.A O no hydrogen 2.870 N/A THR 149.A N GLY 145.A O no hydrogen 2.935 N/A THR 149.A OG1 GLY 145.A O no hydrogen 3.136 N/A ASN 150.A N ASP 146.A O no hydrogen 2.990 N/A ASN 150.A ND2 ASP 146.A O no hydrogen 3.003 N/A LEU 151.A N HIS 147.A O no hydrogen 2.949 N/A ARG 152.A N VAL 148.A O no hydrogen 2.925 N/A ARG 152.A NH2 GLU 97.A OE1 no hydrogen 2.776 N/A LYS 153.A N THR 149.A O no hydrogen 2.901 N/A MET 154.A N ASN 150.A O no hydrogen 2.900 N/A GLY 155.A N ARG 152.A O no hydrogen 3.079 N/A ALA 156.A N LEU 151.A O no hydrogen 2.945 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.824 N/A SER 159.A N GLY 155.A O no hydrogen 3.082 N/A ALA 162.A N SER 159.A OG no hydrogen 2.981 N/A GLU 163.A N SER 159.A O no hydrogen 3.438 N/A TYR 164.A N GLY 160.A O no hydrogen 3.019 N/A LEU 165.A N LEU 161.A O no hydrogen 2.901 N/A PHE 166.A N ALA 162.A O no hydrogen 2.882 N/A ASP 167.A N GLU 163.A O no hydrogen 2.914 N/A LYS 168.A N TYR 164.A O no hydrogen 3.231 N/A LYS 168.A NZ TYR 164.A O no hydrogen 3.074 N/A LYS 168.A NZ ASP 167.A OD2 no hydrogen 2.769 N/A HIS 169.A N LEU 165.A O no hydrogen 2.862 N/A THR 170.A N PHE 166.A O no hydrogen 2.951 N/A LEU 171.A N PHE 166.A O no hydrogen 3.274 N/A