Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kwa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N GLN 2.A O no hydrogen 3.059 N/A ARG 7.A N SER 3.A O no hydrogen 3.077 N/A ARG 7.A NE GLU 4.A OE1 no hydrogen 3.412 N/A ARG 8.A N GLU 4.A O no hydrogen 3.235 N/A ILE 9.A N ALA 5.A O no hydrogen 3.096 N/A LEU 10.A N ARG 6.A O no hydrogen 2.928 N/A GLU 11.A N ARG 7.A O no hydrogen 2.808 N/A THR 12.A N ARG 8.A O no hydrogen 3.004 N/A THR 12.A OG1 ARG 8.A O no hydrogen 3.115 N/A ALA 13.A N ILE 9.A O no hydrogen 2.778 N/A TRP 14.A N LEU 10.A O no hydrogen 2.957 N/A ARG 15.A N GLU 11.A O no hydrogen 3.352 N/A ARG 15.A NH2 GLU 33.A OE1 no hydrogen 3.315 N/A LEU 16.A N THR 12.A O no hydrogen 3.004 N/A ILE 17.A N ALA 13.A O no hydrogen 2.835 N/A ALA 18.A N TRP 14.A O no hydrogen 2.870 N/A ARG 19.A N ARG 15.A O no hydrogen 2.930 N/A ARG 19.A NE ASP 97.A OD1 no hydrogen 3.259 N/A ARG 19.A NE ASP 97.A OD2 no hydrogen 3.054 N/A ARG 19.A NH1 ASP 97.A OD2 no hydrogen 2.704 N/A ARG 20.A N LEU 16.A O no hydrogen 2.849 N/A GLY 21.A N ILE 17.A O no hydrogen 2.996 N/A TYR 22.A N GLN 104.A OE1 no hydrogen 2.804 N/A HIS 23.A NE2 GLU 108.A OE2 no hydrogen 2.882 N/A ASN 24.A N GLY 21.A O no hydrogen 2.866 N/A ASN 24.A ND2 ARG 20.A O no hydrogen 2.932 N/A VAL 25.A N TYR 22.A O no hydrogen 3.315 N/A ARG 26.A N ASP 29.A OD2 no hydrogen 2.807 N/A ASP 29.A N ARG 26.A O no hydrogen 2.963 N/A ILE 30.A N ARG 26.A O no hydrogen 3.487 N/A ALA 31.A N ILE 27.A O no hydrogen 2.966 N/A SER 32.A N HIS 28.A O no hydrogen 2.877 N/A SER 32.A OG HIS 28.A O no hydrogen 3.046 N/A GLU 33.A N ASP 29.A O no hydrogen 3.238 N/A LEU 34.A N ILE 30.A O no hydrogen 3.142 N/A GLY 35.A N ALA 31.A O no hydrogen 2.727 N/A THR 36.A N ALA 31.A O no hydrogen 2.999 N/A SER 37.A OG THR 40.A OG1 no hydrogen 2.900 N/A THR 40.A N SER 37.A OG no hydrogen 3.288 N/A THR 40.A OG1 SER 37.A OG no hydrogen 2.900 N/A ILE 41.A N SER 37.A O no hydrogen 3.472 N/A HIS 42.A N ASN 38.A O no hydrogen 2.978 N/A TYR 43.A N ALA 39.A O no hydrogen 2.866 N/A HIS 44.A N THR 40.A O no hydrogen 3.262 N/A PHE 45.A N ILE 41.A O no hydrogen 2.887 N/A SER 47.A OG ASP 50.A OD1 no hydrogen 3.357 N/A LYS 48.A NZ TYR 22.A O no hydrogen 2.829 N/A LYS 48.A NZ VAL 25.A O no hydrogen 2.734 N/A ASP 50.A N SER 47.A OG no hydrogen 3.083 N/A ILE 51.A N SER 47.A O no hydrogen 3.197 N/A LEU 52.A N LYS 48.A O no hydrogen 3.063 N/A LEU 53.A N LYS 49.A O no hydrogen 2.951 N/A GLU 54.A N ASP 50.A O no hydrogen 2.960 N/A ALA 55.A N ILE 51.A O no hydrogen 2.897 N/A LEU 56.A N LEU 52.A O no hydrogen 2.870 N/A ARG 57.A N LEU 53.A O no hydrogen 2.994 N/A ARG 57.A NE GLU 54.A OE1 no hydrogen 3.126 N/A ARG 57.A NH1 GLU 54.A OE2 no hydrogen 3.128 N/A ARG 58.A N GLU 54.A O no hydrogen 2.972 N/A ASN 59.A N ALA 55.A O no hydrogen 2.926 N/A ASN 59.A ND2 GLU 98.A OE2 no hydrogen 2.716 N/A VAL 60.A N LEU 56.A O no hydrogen 2.845 N/A LYS 61.A N ARG 57.A O no hydrogen 3.181 N/A LEU 62.A N ARG 58.A O no hydrogen 3.008 N/A ALA 63.A N ASN 59.A O no hydrogen 2.880 N/A PHE 64.A N VAL 60.A O no hydrogen 3.074 N/A ASP 65.A N LYS 61.A O no hydrogen 2.960 N/A ARG 66.A N LEU 62.A O no hydrogen 2.957 N/A ARG 66.A NH1 GLU 98.A OE1 no hydrogen 2.883 N/A ARG 66.A NH1 GLU 98.A OE2 no hydrogen 3.190 N/A ARG 66.A NH2 GLU 98.A OE2 no hydrogen 2.638 N/A GLN 67.A N ALA 63.A O no hydrogen 3.084 N/A VAL 68.A N PHE 64.A O no hydrogen 2.875 N/A ALA 69.A N ASP 65.A O no hydrogen 3.029 N/A GLU 70.A N ARG 66.A O no hydrogen 2.916 N/A LEU 71.A N GLN 67.A O no hydrogen 2.980 N/A HIS 72.A ND1 ALA 69.A O no hydrogen 3.316 N/A ILE 74.A N LEU 71.A O no hydrogen 2.988 N/A ALA 77.A N GLN 139.A OE1 no hydrogen 3.056 N/A ARG 78.A N.A ASP 76.A OD2 no hydrogen 2.891 N/A ARG 78.A N.B ASP 76.A OD2 no hydrogen 2.849 N/A ARG 78.A NE.A GLU 185.A OE2 no hydrogen 2.686 N/A ARG 78.A NH1.B GLU 185.A OE1 no hydrogen 3.112 N/A GLU 79.A N ASP 76.A OD2 no hydrogen 3.375 N/A ARG 80.A N ASP 76.A O no hydrogen 2.899 N/A ARG 80.A NH1 ILE 74.A O no hydrogen 2.867 N/A LEU 81.A N ALA 77.A O no hydrogen 2.896 N/A VAL 82.A N ARG 78.A O.A no hydrogen 2.884 N/A VAL 82.A N ARG 78.A O.B no hydrogen 2.981 N/A ARG 83.A N GLU 79.A O no hydrogen 2.920 N/A ARG 83.A NE GLU 79.A OE2 no hydrogen 3.298 N/A LEU 84.A N ARG 80.A O no hydrogen 2.840 N/A VAL 85.A N LEU 81.A O no hydrogen 2.960 N/A GLU 86.A N VAL 82.A O no hydrogen 3.000 N/A LEU 87.A N ARG 83.A O no hydrogen 2.968 N/A GLN 88.A N VAL 85.A O no hydrogen 2.924 N/A LEU 89.A N GLU 86.A O no hydrogen 3.105 N/A THR 91.A N LEU 89.A O no hydrogen 2.792 N/A ARG 96.A N THR 91.A O no hydrogen 2.969 N/A ASP 97.A N GLY 93.A O no hydrogen 3.005 N/A GLU 98.A N LEU 94.A O no hydrogen 2.794 N/A TRP 99.A N LEU 95.A O no hydrogen 3.006 N/A TRP 99.A NE1 GLN 88.A O no hydrogen 2.763 N/A SER 100.A N.A ARG 96.A O no hydrogen 2.934 N/A SER 100.A N.B ARG 96.A O no hydrogen 2.987 N/A SER 100.A OG.A ARG 96.A O no hydrogen 3.238 N/A SER 100.A OG.B ALA 18.A O no hydrogen 2.708 N/A VAL 101.A N ASP 97.A O no hydrogen 2.971 N/A TRP 102.A N GLU 98.A O no hydrogen 2.807 N/A LEU 103.A N TRP 99.A O no hydrogen 2.970 N/A GLN 104.A N SER 100.A O.B no hydrogen 3.256 N/A GLN 104.A NE2 ILE 17.A O no hydrogen 3.003 N/A GLN 104.A NE2 SER 100.A O.A no hydrogen 3.080 N/A GLN 104.A NE2 SER 100.A O.B no hydrogen 3.294 N/A VAL 105.A N VAL 101.A O no hydrogen 2.880 N/A TRP 106.A N TRP 102.A O no hydrogen 2.892 N/A GLU 108.A N GLN 104.A O no hydrogen 2.873 N/A SER 109.A N VAL 105.A O no hydrogen 2.693 N/A SER 109.A OG VAL 105.A O no hydrogen 2.854 N/A THR 110.A N THR 107.A O no hydrogen 3.079 N/A THR 110.A OG1 THR 107.A O no hydrogen 2.758 N/A LEU 111.A N GLU 108.A O no hydrogen 3.084 N/A ASN 112.A N GLU 108.A O no hydrogen 2.915 N/A LYS 114.A N ASN 112.A OD1 no hydrogen 3.047 N/A ILE 115.A N ASN 112.A OD1 no hydrogen 3.246 N/A ARG 116.A N ASN 112.A O no hydrogen 2.938 N/A ASP 117.A N PRO 113.A O no hydrogen 2.913 N/A LEU 118.A N LYS 114.A O no hydrogen 3.001 N/A TYR 119.A N ILE 115.A O no hydrogen 2.825 N/A ASN 120.A N ARG 116.A O no hydrogen 2.960 N/A ASP 121.A N ASP 117.A O no hydrogen 2.956 N/A ALA 122.A N LEU 118.A O no hydrogen 2.965 N/A TYR 123.A N TYR 119.A O no hydrogen 2.760 N/A TYR 123.A OH SER 155.A OG no hydrogen 2.933 N/A ASP 124.A N ASN 120.A O no hydrogen 2.900 N/A ARG 125.A N ASP 121.A O no hydrogen 3.236 N/A ARG 125.A N ALA 122.A O no hydrogen 3.213 N/A TRP 126.A N ALA 122.A O no hydrogen 3.277 N/A TYR 127.A N TYR 123.A O no hydrogen 2.796 N/A TYR 127.A OH ASP 148.A O no hydrogen 3.108 N/A TYR 127.A OH ASP 148.A OD1 no hydrogen 3.150 N/A GLN 128.A N ASP 124.A O no hydrogen 2.944 N/A THR 129.A N ARG 125.A O no hydrogen 3.023 N/A THR 129.A OG1 ARG 125.A O no hydrogen 3.094 N/A ILE 130.A N TRP 126.A O no hydrogen 2.917 N/A ALA 131.A N TYR 127.A O no hydrogen 2.905 N/A THR 132.A OG1 THR 129.A O no hydrogen 2.611 N/A ILE 133.A N ILE 130.A O no hydrogen 2.984 N/A ARG 134.A N ALA 131.A O no hydrogen 3.006 N/A GLY 136.A N THR 132.A O no hydrogen 3.034 N/A GLN 137.A N ILE 133.A O no hydrogen 2.925 N/A GLN 137.A NE2 ARG 143.A O no hydrogen 2.990 N/A GLN 137.A NE2 GLN 145.A O no hydrogen 2.949 N/A LYS 138.A N ARG 134.A O no hydrogen 2.987 N/A GLN 139.A N THR 135.A O no hydrogen 2.813 N/A GLN 139.A NE2 ALA 75.A O no hydrogen 3.046 N/A GLY 140.A N GLN 137.A O no hydrogen 3.082 N/A VAL 141.A N GLY 136.A O no hydrogen 2.806 N/A PHE 142.A N GLY 136.A O no hydrogen 3.034 N/A ARG 143.A N ILE 188.A O no hydrogen 2.926 N/A ARG 143.A NE ASN 187.A O no hydrogen 3.297 N/A ARG 143.A NH2 ASN 187.A O no hydrogen 2.686 N/A GLU 149.A N ASP 146.A OD1 no hydrogen 2.749 N/A LEU 150.A N ASP 146.A O no hydrogen 3.116 N/A ALA 151.A N ALA 147.A O no hydrogen 2.810 N/A THR 152.A N ASP 148.A O no hydrogen 2.937 N/A THR 152.A OG1 ASP 148.A O no hydrogen 3.217 N/A ARG 153.A N GLU 149.A O no hydrogen 2.811 N/A LEU 154.A N LEU 150.A O no hydrogen 2.793 N/A SER 155.A N ALA 151.A O no hydrogen 3.046 N/A SER 155.A OG TYR 123.A OH no hydrogen 2.933 N/A SER 155.A OG ALA 151.A O no hydrogen 2.803 N/A SER 155.A OG THR 152.A O no hydrogen 3.039 N/A ALA 156.A N THR 152.A O no hydrogen 3.059 N/A LEU 157.A N ARG 153.A O no hydrogen 2.900 N/A ILE 158.A N LEU 154.A O no hydrogen 2.910 N/A ASP 159.A N SER 155.A O no hydrogen 3.055 N/A GLY 160.A N ALA 156.A O no hydrogen 2.963 N/A LEU 161.A N LEU 157.A O no hydrogen 2.973 N/A GLY 162.A N ILE 158.A O no hydrogen 2.989 N/A ILE 163.A N ASP 159.A O no hydrogen 3.136 N/A GLN 164.A N GLY 160.A O no hydrogen 3.213 N/A VAL 165.A N LEU 161.A O no hydrogen 2.961 N/A LEU 166.A N GLY 162.A O no hydrogen 2.848 N/A THR 167.A N ILE 163.A O no hydrogen 2.883 N/A THR 167.A OG1 ILE 163.A O no hydrogen 2.792 N/A GLY 168.A N VAL 165.A O no hydrogen 3.152 N/A LYS 169.A N GLN 164.A O no hydrogen 3.051 N/A LYS 169.A NZ GLN 164.A OE1 no hydrogen 2.954 N/A CYS 172.A N LYS 169.A O no hydrogen 2.925 N/A CYS 172.A SG GLN 164.A OE1 no hydrogen 3.931 N/A SER 173.A OG HIS 176.A ND1 no hydrogen 2.595 N/A HIS 176.A N SER 173.A OG no hydrogen 2.915 N/A ARG 177.A NE GLU 86.A OE1 no hydrogen 2.794 N/A ARG 177.A NE GLU 86.A OE2 no hydrogen 3.471 N/A ARG 177.A NH1 ASP 175.A OD1 no hydrogen 2.952 N/A ARG 177.A NH2 GLU 86.A OE2 no hydrogen 3.106 N/A GLN 178.A N ASP 175.A O no hydrogen 2.961 N/A HIS 179.A N HIS 176.A O no hydrogen 2.858 N/A ASN 181.A N ARG 177.A O no hydrogen 2.969 N/A ASP 182.A N GLN 178.A O no hydrogen 2.872 N/A PHE 183.A N HIS 179.A O no hydrogen 3.015 N/A ILE 184.A N LEU 180.A O no hydrogen 2.939 N/A GLU 185.A N ASN 181.A O no hydrogen 2.831 N/A HIS 186.A N ASP 182.A O no hydrogen 2.997 N/A ASN 187.A N PHE 183.A O no hydrogen 2.811 N/A ILE 188.A N ILE 184.A O no hydrogen 3.094 N/A VAL 189.A N ILE 184.A O no hydrogen 2.945 N/A GLU 190.A N VAL 141.A O no hydrogen 2.835 N/A