Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ajq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N SER 2.A OG no hydrogen 3.227 N/A ARG 5.A N SER 2.A O no hydrogen 3.211 N/A ARG 5.A NE TYR 8.A O no hydrogen 2.963 N/A ARG 5.A NH1 GLU 13.A OE2 no hydrogen 3.007 N/A ARG 5.A NH2 TYR 8.A O no hydrogen 2.928 N/A ARG 5.A NH2 GLU 13.A OE2 no hydrogen 2.825 N/A ASN 7.A ND2 ASN 121.A O no hydrogen 2.970 N/A TYR 8.A OH GLN 69.A OE1 no hydrogen 2.739 N/A ASP 11.A N HIS 9.A ND1 no hydrogen 2.850 N/A GLU 13.A N HIS 9.A O no hydrogen 3.020 N/A ALA 14.A N GLN 10.A O no hydrogen 3.050 N/A ALA 15.A N ASP 11.A O no hydrogen 2.980 N/A ILE 16.A N SER 12.A O no hydrogen 2.852 N/A ASN 17.A N GLU 13.A O no hydrogen 3.105 N/A ASN 17.A ND2 ARG 75.A O no hydrogen 3.089 N/A ARG 18.A N ALA 14.A O no hydrogen 2.983 N/A GLN 19.A N ALA 15.A O no hydrogen 2.896 N/A GLN 19.A NE2 GLU 23.A OE1 no hydrogen 2.867 N/A ILE 20.A N ILE 16.A O no hydrogen 2.886 N/A ASN 21.A N ASN 17.A O no hydrogen 3.235 N/A ASN 21.A ND2 ASP 80.A O no hydrogen 2.961 N/A LEU 22.A N ARG 18.A O no hydrogen 3.090 N/A GLU 23.A N GLN 19.A O no hydrogen 2.941 N/A LEU 24.A N ILE 20.A O no hydrogen 3.086 N/A TYR 25.A N ASN 21.A O no hydrogen 2.870 N/A TYR 25.A OH ASP 85.A OD1.B no hydrogen 3.361 N/A ALA 26.A N LEU 22.A O no hydrogen 2.886 N/A SER 27.A N GLU 23.A O no hydrogen 2.962 N/A SER 27.A OG.A SER 55.A O no hydrogen 2.805 N/A SER 27.A OG.A SER 55.A OG no hydrogen 3.094 N/A SER 27.A OG.B LEU 24.A O no hydrogen 2.595 N/A TYR 28.A N LEU 24.A O no hydrogen 2.994 N/A VAL 29.A N TYR 25.A O no hydrogen 2.912 N/A TYR 30.A N ALA 26.A O no hydrogen 3.110 N/A TYR 30.A OH GLU 103.A OE2 no hydrogen 2.696 N/A LEU 31.A N SER 27.A O no hydrogen 2.980 N/A SER 32.A N TYR 28.A O no hydrogen 3.002 N/A MET 33.A N VAL 29.A O no hydrogen 2.922 N/A SER 34.A N TYR 30.A O no hydrogen 2.873 N/A SER 34.A OG ALA 48.A O no hydrogen 2.697 N/A TYR 35.A N LEU 31.A O no hydrogen 3.263 N/A TYR 36.A N SER 32.A O no hydrogen 3.100 N/A PHE 37.A N MET 33.A O no hydrogen 3.399 N/A PHE 37.A N SER 34.A O no hydrogen 3.111 N/A ASP 38.A N TYR 35.A O no hydrogen 3.206 N/A ARG 39.A N TYR 36.A O no hydrogen 3.141 N/A ARG 39.A NE ASP 41.A OD2 no hydrogen 2.882 N/A ARG 39.A NH2 ASP 41.A OD1 no hydrogen 2.892 N/A ARG 39.A NH2 ASP 41.A OD2 no hydrogen 3.374 N/A VAL 42.A N ARG 39.A O no hydrogen 3.007 N/A LEU 44.A N PHE 37.A O no hydrogen 2.935 N/A ASN 46.A N ASP 167.A OD1 no hydrogen 2.829 N/A ASN 46.A ND2 ASP 167.A O no hydrogen 3.098 N/A ASN 46.A ND2 ASP 167.A OD2 no hydrogen 3.090 N/A PHE 47.A N ASP 167.A OD1 no hydrogen 3.026 N/A ALA 48.A N LEU 44.A O no hydrogen 3.077 N/A LYS 49.A N LYS 45.A O no hydrogen 2.928 N/A LYS 49.A NZ.B LEU 171.A O no hydrogen 2.867 N/A TYR 50.A N ASN 46.A O no hydrogen 2.854 N/A TYR 50.A OH GLU 143.A OE1 no hydrogen 2.663 N/A PHE 51.A N PHE 47.A O no hydrogen 3.041 N/A LEU 52.A N ALA 48.A O no hydrogen 2.998 N/A HIS 53.A N LYS 49.A O no hydrogen 3.002 N/A GLN 54.A N TYR 50.A O no hydrogen 3.080 N/A SER 55.A N PHE 51.A O no hydrogen 2.865 N/A SER 55.A OG SER 27.A O no hydrogen 2.773 N/A SER 55.A OG SER 27.A OG.A no hydrogen 3.094 N/A HIS 56.A N LEU 52.A O no hydrogen 3.019 N/A GLU 57.A N HIS 53.A O no hydrogen 2.978 N/A GLU 58.A N GLN 54.A O no hydrogen 3.055 N/A ARG 59.A N SER 55.A O no hydrogen 3.169 N/A ARG 59.A NE GLU 63.A OE1 no hydrogen 2.545 N/A ARG 59.A NH1 GLU 63.A OE1 no hydrogen 3.141 N/A GLU 60.A N HIS 56.A O no hydrogen 3.104 N/A HIS 61.A N GLU 57.A O no hydrogen 2.931 N/A ALA 62.A N GLU 58.A O no hydrogen 2.927 N/A GLU 63.A N ARG 59.A O no hydrogen 2.976 N/A LYS 64.A N GLU 60.A O no hydrogen 3.010 N/A LYS 64.A NZ HIS 132.A ND1 no hydrogen 3.256 N/A LEU 65.A N HIS 61.A O no hydrogen 3.300 N/A MET 66.A N ALA 62.A O no hydrogen 2.989 N/A LYS 67.A N GLU 63.A O no hydrogen 2.883 N/A LEU 68.A N LYS 64.A O no hydrogen 2.937 N/A GLN 69.A N LEU 65.A O no hydrogen 2.915 N/A GLN 69.A NE2 GLU 13.A O no hydrogen 3.033 N/A GLN 69.A NE2 ASN 17.A OD1 no hydrogen 2.897 N/A ASN 70.A N MET 66.A O no hydrogen 3.229 N/A GLN 71.A N LYS 67.A O no hydrogen 2.856 N/A ARG 72.A N LEU 68.A O no hydrogen 2.964 N/A ARG 72.A NH1 ASP 122.A OD1 no hydrogen 2.921 N/A ARG 72.A NH1 ASP 122.A OD2 no hydrogen 3.269 N/A ARG 72.A NH1 HIS 124.A ND1 no hydrogen 3.029 N/A ARG 72.A NH2 GLN 6.A O no hydrogen 3.073 N/A ARG 72.A NH2 ASP 122.A OD1 no hydrogen 3.413 N/A ARG 72.A NH2 ASP 122.A OD2 no hydrogen 3.135 N/A GLY 73.A N ASN 70.A O no hydrogen 3.126 N/A GLY 74.A N GLN 69.A O no hydrogen 2.921 N/A ARG 75.A N GLU 13.A OE1 no hydrogen 2.773 N/A ARG 75.A NH1 GLY 74.A O no hydrogen 2.837 N/A LYS 83.A NZ.B ASP 87.A OD2 no hydrogen 3.206 N/A CYS 86.A SG ASP 85.A OD2.A no hydrogen 2.903 N/A GLU 90.A N ASP 88.A OD2 no hydrogen 2.640 N/A SER 91.A N TRP 89.A O no hydrogen 2.751 N/A GLY 92.A N GLU 163.A OE2 no hydrogen 2.784 N/A LEU 93.A N GLU 163.A OE1 no hydrogen 2.939 N/A ASN 94.A N SER 91.A OG no hydrogen 3.012 N/A ASN 94.A ND2 TRP 89.A O no hydrogen 2.760 N/A ALA 95.A N SER 91.A O no hydrogen 3.082 N/A MET 96.A N GLY 92.A O no hydrogen 2.982 N/A GLU 97.A N LEU 93.A O no hydrogen 2.921 N/A CYS 98.A N ASN 94.A O no hydrogen 2.893 N/A CYS 98.A SG.A ASN 94.A O no hydrogen 3.561 N/A CYS 98.A SG.B ASP 85.A OD1.A no hydrogen 3.815 N/A ALA 99.A N ALA 95.A O no hydrogen 2.868 N/A LEU 100.A N MET 96.A O no hydrogen 2.910 N/A HIS 101.A N GLU 97.A O no hydrogen 3.051 N/A LEU 102.A N CYS 98.A O no hydrogen 2.894 N/A GLU 103.A N ALA 99.A O no hydrogen 2.857 N/A LYS 104.A N LEU 100.A O no hydrogen 3.017 N/A ASN 105.A N HIS 101.A O no hydrogen 2.948 N/A ASN 105.A ND2 HIS 101.A NE2 no hydrogen 3.092 N/A VAL 106.A N LEU 102.A O no hydrogen 2.869 N/A ASN 107.A N GLU 103.A O no hydrogen 2.892 N/A GLN 108.A N LYS 104.A O no hydrogen 2.932 N/A GLN 108.A NE2.B GLU 112.A OE1 no hydrogen 3.138 N/A SER 109.A N ASN 105.A O no hydrogen 3.089 N/A SER 109.A OG GLN 19.A OE1 no hydrogen 2.598 N/A LEU 110.A N VAL 106.A O no hydrogen 2.961 N/A LEU 111.A N ASN 107.A O no hydrogen 2.889 N/A GLU 112.A N GLN 108.A O no hydrogen 2.904 N/A LEU 113.A N SER 109.A O no hydrogen 2.862 N/A HIS 114.A N LEU 110.A O no hydrogen 2.897 N/A HIS 114.A NE2 GLU 130.A OE2 no hydrogen 2.706 N/A LYS 115.A N LEU 111.A O no hydrogen 2.918 N/A LYS 115.A NZ ASP 119.A OD1 no hydrogen 3.333 N/A LEU 116.A N GLU 112.A O no hydrogen 3.032 N/A ALA 117.A N LEU 113.A O no hydrogen 2.953 N/A THR 118.A N HIS 114.A O no hydrogen 2.826 N/A THR 118.A OG1 HIS 114.A ND1 no hydrogen 3.297 N/A THR 118.A OG1 HIS 114.A O no hydrogen 2.958 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 2.902 N/A LYS 120.A NZ HIS 9.A NE2 no hydrogen 3.507 N/A ASN 121.A N THR 118.A O no hydrogen 2.995 N/A ASP 122.A N ALA 117.A O no hydrogen 2.911 N/A LEU 125.A N ASP 122.A OD1 no hydrogen 2.964 N/A CYS 126.A N ASP 122.A O no hydrogen 3.055 N/A CYS 126.A SG THR 118.A OG1 no hydrogen 3.548 N/A CYS 126.A SG ASP 122.A O no hydrogen 3.500 N/A ASP 127.A N PRO 123.A O no hydrogen 2.989 N/A PHE 128.A N HIS 124.A O no hydrogen 2.928 N/A ILE 129.A N LEU 125.A O no hydrogen 2.990 N/A GLU 130.A N CYS 126.A O no hydrogen 2.923 N/A THR 131.A N ASP 127.A O no hydrogen 2.847 N/A THR 131.A OG1 ASP 127.A O no hydrogen 2.800 N/A THR 131.A OG1 ASP 127.A OD1 no hydrogen 3.311 N/A HIS 132.A N PHE 128.A O no hydrogen 3.006 N/A TYR 133.A N ILE 129.A O no hydrogen 2.935 N/A TYR 133.A OH HIS 61.A O no hydrogen 2.729 N/A LEU 134.A N ILE 129.A O no hydrogen 3.033 N/A GLN 136.A N GLN 136.A OE1 no hydrogen 2.683 N/A GLN 136.A NE2 THR 131.A O no hydrogen 3.126 N/A GLN 137.A N TYR 133.A O no hydrogen 2.991 N/A GLN 137.A NE2 GLU 103.A O no hydrogen 3.094 N/A GLN 137.A NE2 GLU 103.A OE1 no hydrogen 2.862 N/A VAL 138.A N LEU 134.A O no hydrogen 3.070 N/A LYS 139.A N ASN 135.A O no hydrogen 2.830 N/A ALA 140.A N GLN 136.A O no hydrogen 2.985 N/A ILE 141.A N GLN 137.A O no hydrogen 2.868 N/A LYS 142.A N VAL 138.A O no hydrogen 2.990 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 2.853 N/A LYS 142.A NZ ASP 146.A OD2 no hydrogen 3.123 N/A GLU 143.A N LYS 139.A O no hydrogen 2.931 N/A LEU 144.A N ALA 140.A O no hydrogen 2.946 N/A GLY 145.A N ILE 141.A O no hydrogen 2.879 N/A ASP 146.A N LYS 142.A O no hydrogen 2.860 N/A HIS 147.A N GLU 143.A O no hydrogen 2.915 N/A VAL 148.A N LEU 144.A O no hydrogen 2.892 N/A THR 149.A N GLY 145.A O no hydrogen 2.942 N/A THR 149.A OG1 GLY 145.A O no hydrogen 3.146 N/A ASN 150.A N ASP 146.A O no hydrogen 3.001 N/A ASN 150.A ND2 ASP 146.A O no hydrogen 2.988 N/A LEU 151.A N HIS 147.A O no hydrogen 2.948 N/A ARG 152.A N VAL 148.A O no hydrogen 2.933 N/A ARG 152.A NH2 GLU 97.A OE1 no hydrogen 2.922 N/A LYS 153.A N THR 149.A O no hydrogen 2.857 N/A MET 154.A N ASN 150.A O no hydrogen 2.888 N/A GLY 155.A N ARG 152.A O no hydrogen 3.064 N/A ALA 156.A N LEU 151.A O no hydrogen 2.921 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.872 N/A SER 159.A N GLY 155.A O no hydrogen 3.070 N/A ALA 162.A N SER 159.A OG no hydrogen 2.994 N/A GLU 163.A N SER 159.A O no hydrogen 3.439 N/A TYR 164.A N GLY 160.A O no hydrogen 3.030 N/A LEU 165.A N LEU 161.A O no hydrogen 2.906 N/A PHE 166.A N ALA 162.A O no hydrogen 2.887 N/A ASP 167.A N GLU 163.A O no hydrogen 2.928 N/A LYS 168.A N TYR 164.A O no hydrogen 3.206 N/A LYS 168.A NZ TYR 164.A O no hydrogen 3.084 N/A LYS 168.A NZ ASP 167.A OD2 no hydrogen 2.741 N/A HIS 169.A N LEU 165.A O no hydrogen 2.845 N/A THR 170.A N PHE 166.A O no hydrogen 2.952 N/A LEU 171.A N PHE 166.A O no hydrogen 3.275 N/A