Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a0q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N LYS 104.A O no hydrogen 3.012 N/A ILE 4.A N GLN 39.A O no hydrogen 2.780 N/A VAL 5.A N VAL 106.A O no hydrogen 2.746 N/A ILE 6.A N GLY 41.A O no hydrogen 2.926 N/A VAL 7.A N VAL 108.A O no hydrogen 2.643 N/A LEU 8.A N VAL 43.A O no hydrogen 2.751 N/A ASP 9.A N VAL 110.A O no hydrogen 2.967 N/A GLY 10.A N TYR 45.A O no hydrogen 2.684 N/A SER 11.A N ASP 9.A OD1 no hydrogen 2.871 N/A SER 11.A OG ASP 9.A OD1 no hydrogen 2.631 N/A SER 11.A OG ASP 9.A OD2 no hydrogen 3.525 N/A ASN 12.A N GLY 76.A O no hydrogen 2.753 N/A SER 13.A OG ASP 112.A OD1 no hydrogen 3.395 N/A SER 13.A OG ASP 112.A OD2 no hydrogen 2.764 N/A ILE 14.A N SER 11.A O no hydrogen 3.025 N/A TRP 17.A NE1 ILE 71.A O no hydrogen 2.920 N/A SER 19.A N PRO 16.A O no hydrogen 3.085 N/A VAL 20.A N TRP 17.A O no hydrogen 2.818 N/A THR 21.A N TRP 17.A O no hydrogen 3.058 N/A THR 21.A OG1 ASP 18.A O no hydrogen 3.138 N/A ALA 22.A N ASP 18.A O no hydrogen 2.841 N/A PHE 23.A N SER 19.A O no hydrogen 3.025 N/A LEU 24.A N VAL 20.A O no hydrogen 2.967 N/A ASN 25.A N THR 21.A O no hydrogen 2.913 N/A ASN 25.A ND2 ASP 26.A OD1 no hydrogen 3.201 N/A ASP 26.A N ALA 22.A O no hydrogen 2.920 N/A LEU 27.A N PHE 23.A O no hydrogen 2.943 N/A LEU 28.A N LEU 24.A O no hydrogen 2.872 N/A GLU 29.A N ASN 25.A O no hydrogen 2.960 N/A ARG 30.A N LEU 27.A O no hydrogen 3.212 N/A MET 31.A N LEU 28.A O no hydrogen 3.079 N/A ILE 33.A N THR 61.A OG1 no hydrogen 2.914 N/A GLY 34.A N THR 38.A O no hydrogen 2.968 N/A GLN 37.A N GLY 34.A O no hydrogen 2.926 N/A THR 38.A N ASP 32.A O no hydrogen 3.291 N/A GLN 39.A N LEU 2.A O no hydrogen 2.935 N/A GLY 41.A N ILE 4.A O no hydrogen 2.920 N/A ILE 42.A N PHE 53.A O no hydrogen 3.056 N/A VAL 43.A N ILE 6.A O no hydrogen 2.857 N/A GLN 44.A N THR 50.A O no hydrogen 2.860 N/A GLN 44.A NE2 GLU 52.A OE2 no hydrogen 2.938 N/A GLN 44.A NE2 VAL 72.A O no hydrogen 2.838 N/A TYR 45.A N LEU 8.A O no hydrogen 2.907 N/A TYR 45.A OH THR 81.A OG1 no hydrogen 2.854 N/A GLY 46.A N ASN 48.A O no hydrogen 2.912 N/A GLU 47.A N GLY 75.A O no hydrogen 3.197 N/A THR 50.A N GLN 44.A O no hydrogen 2.834 N/A HIS 51.A NE2 GLU 91.A OE1 no hydrogen 2.815 N/A GLU 52.A N ILE 42.A O no hydrogen 2.815 N/A ASN 56.A N ARG 97.A O no hydrogen 3.354 N/A LYS 57.A N ASN 54.A O no hydrogen 3.205 N/A SER 59.A N GLU 63.A OE1 no hydrogen 2.977 N/A SER 59.A OG GLU 63.A OE1 no hydrogen 3.477 N/A THR 61.A OG1 MET 31.A O no hydrogen 2.557 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.788 N/A GLU 63.A N SER 60.A OG no hydrogen 3.107 N/A VAL 64.A N SER 60.A O no hydrogen 3.192 N/A LEU 65.A N THR 61.A O no hydrogen 2.942 N/A VAL 66.A N GLU 62.A O no hydrogen 3.165 N/A ALA 67.A N GLU 63.A O no hydrogen 3.032 N/A ALA 68.A N VAL 64.A O no hydrogen 2.795 N/A LYS 69.A N LEU 65.A O no hydrogen 3.363 N/A LYS 70.A N ALA 67.A O no hydrogen 2.764 N/A ILE 71.A N ALA 68.A O no hydrogen 3.040 N/A GLN 73.A NE2 ILE 14.A O no hydrogen 3.583 N/A ARG 74.A N GLN 44.A OE1 no hydrogen 2.708 N/A ARG 74.A NE GLU 52.A OE2 no hydrogen 2.701 N/A ARG 74.A NH2 GLU 52.A OE1 no hydrogen 3.092 N/A GLY 75.A N GLY 10.A O no hydrogen 2.946 N/A GLY 76.A N ASN 12.A OD1 no hydrogen 3.280 N/A GLN 78.A NE2 HIS 116.A ND1 no hydrogen 3.023 N/A THR 81.A OG1 TYR 45.A OH no hydrogen 2.854 N/A ALA 82.A N ASP 117.A OD1 no hydrogen 2.925 N/A LEU 83.A N ASP 117.A OD2 no hydrogen 2.951 N/A GLY 84.A N MET 80.A O no hydrogen 2.973 N/A THR 85.A N THR 81.A O no hydrogen 3.057 N/A THR 85.A OG1 THR 81.A O no hydrogen 2.890 N/A ASP 86.A N ALA 82.A O no hydrogen 2.885 N/A THR 87.A N LEU 83.A O no hydrogen 2.894 N/A THR 87.A OG1 LEU 83.A O no hydrogen 2.702 N/A ALA 88.A N GLY 84.A O no hydrogen 3.012 N/A ARG 89.A N THR 85.A O no hydrogen 2.932 N/A ARG 89.A NE ASP 86.A OD1 no hydrogen 2.996 N/A ARG 89.A NH1 GLU 131.A OE2 no hydrogen 2.936 N/A ARG 89.A NH2 ASP 86.A OD1 no hydrogen 3.131 N/A LYS 90.A N ASP 86.A O no hydrogen 2.827 N/A GLU 91.A N THR 87.A O no hydrogen 2.775 N/A ALA 92.A N THR 87.A O no hydrogen 3.404 N/A PHE 93.A N ALA 88.A O no hydrogen 3.066 N/A THR 94.A OG1 GLU 91.A O no hydrogen 2.869 N/A ARG 97.A N THR 94.A O no hydrogen 3.373 N/A ARG 97.A NH1 ASN 54.A OD1 no hydrogen 2.840 N/A GLY 98.A N GLU 95.A O no hydrogen 3.142 N/A ALA 99.A N THR 94.A O no hydrogen 2.974 N/A ARG 100.A N ASP 3.A OD2 no hydrogen 2.918 N/A ARG 100.A NE ASP 3.A OD1 no hydrogen 2.911 N/A ARG 100.A NH1 PRO 35.A O no hydrogen 2.896 N/A ARG 100.A NH1 GLN 37.A O no hydrogen 2.677 N/A ARG 100.A NH2 ASP 3.A OD1 no hydrogen 2.902 N/A ARG 100.A NH2 GLN 37.A O no hydrogen 2.713 N/A VAL 103.A N ARG 100.A O no hydrogen 2.983 N/A VAL 106.A N ASP 3.A O no hydrogen 2.828 N/A MET 107.A N GLN 134.A O no hydrogen 2.762 N/A VAL 108.A N VAL 5.A O no hydrogen 2.912 N/A ILE 109.A N PHE 136.A O no hydrogen 2.869 N/A VAL 110.A N VAL 7.A O no hydrogen 3.013 N/A THR 111.A N ILE 138.A O no hydrogen 3.118 N/A THR 111.A OG1 ASP 9.A OD2 no hydrogen 2.798 N/A SER 115.A N GLU 152.A OE2 no hydrogen 2.655 N/A SER 115.A OG GLU 152.A OE1 no hydrogen 3.482 N/A SER 115.A OG GLU 152.A OE2 no hydrogen 2.888 N/A HIS 116.A N THR 79.A O no hydrogen 2.754 N/A ARG 120.A N ASP 117.A O no hydrogen 3.185 N/A LEU 121.A N ASN 118.A O no hydrogen 3.193 N/A LYS 123.A NZ ASP 127.A OD1 no hydrogen 3.518 N/A LYS 123.A NZ ASP 127.A OD2 no hydrogen 3.426 N/A VAL 124.A N ARG 120.A O no hydrogen 3.054 N/A ILE 125.A N LEU 121.A O no hydrogen 2.942 N/A GLN 126.A N LYS 122.A O no hydrogen 2.914 N/A ASP 127.A N LYS 123.A O no hydrogen 2.929 N/A CYS 128.A N VAL 124.A O no hydrogen 2.989 N/A CYS 128.A SG VAL 124.A O no hydrogen 3.399 N/A GLU 129.A N ILE 125.A O no hydrogen 2.970 N/A ASP 130.A N GLN 126.A O no hydrogen 3.121 N/A GLU 131.A N ASP 127.A O no hydrogen 2.970 N/A ASN 132.A N GLU 129.A O no hydrogen 3.000 N/A ILE 133.A N CYS 128.A O no hydrogen 2.983 N/A GLN 134.A N LYS 105.A O no hydrogen 2.972 N/A ARG 135.A N SER 158.A OG no hydrogen 2.738 N/A ARG 135.A NE ILE 156.A O no hydrogen 2.725 N/A ARG 135.A NH1 GLU 129.A OE2 no hydrogen 2.836 N/A ARG 135.A NH2 GLU 129.A OE2 no hydrogen 2.930 N/A PHE 136.A N MET 107.A O no hydrogen 2.858 N/A SER 137.A N HIS 164.A O no hydrogen 3.011 N/A SER 137.A OG ILE 153.A O no hydrogen 2.768 N/A ILE 138.A N ILE 109.A O no hydrogen 2.846 N/A ALA 139.A N PHE 166.A O no hydrogen 2.954 N/A ILE 140.A N THR 111.A O no hydrogen 2.878 N/A LEU 141.A N VAL 168.A O no hydrogen 2.779 N/A GLY 142.A N SER 169.A O no hydrogen 2.789 N/A LYS 148.A N SER 145.A OG no hydrogen 3.350 N/A PHE 149.A N SER 145.A O no hydrogen 3.285 N/A VAL 150.A N THR 146.A O no hydrogen 2.748 N/A GLU 151.A N GLU 147.A O no hydrogen 2.961 N/A GLU 152.A N LYS 148.A O no hydrogen 2.843 N/A ILE 153.A N PHE 149.A O no hydrogen 3.024 N/A LYS 154.A N VAL 150.A O no hydrogen 2.750 N/A SER 155.A N GLU 151.A O no hydrogen 2.983 N/A SER 155.A OG GLU 152.A O no hydrogen 2.654 N/A ILE 156.A N ILE 153.A O no hydrogen 3.008 N/A ALA 157.A N LYS 154.A O no hydrogen 3.123 N/A SER 158.A N ARG 135.A O no hydrogen 2.945 N/A THR 161.A N GLU 159.A OE2 no hydrogen 3.095 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.766 N/A LYS 163.A N PRO 160.A O no hydrogen 2.762 N/A HIS 164.A N PRO 160.A O no hydrogen 3.020 N/A HIS 164.A ND1 PRO 160.A O no hydrogen 3.061 N/A HIS 164.A NE2 GLN 134.A OE1 no hydrogen 2.847 N/A PHE 165.A N THR 161.A O no hydrogen 2.875 N/A PHE 166.A N SER 137.A O no hydrogen 2.853 N/A VAL 168.A N ALA 139.A O no hydrogen 2.920 N/A SER 169.A OG ASP 170.A OD2 no hydrogen 3.399 N/A ALA 173.A N ASP 170.A O no hydrogen 3.149 N/A ALA 173.A N ASP 170.A OD1 no hydrogen 3.106 N/A LEU 174.A N ALA 171.A O no hydrogen 3.034 N/A THR 176.A N ALA 173.A O no hydrogen 2.996 N/A THR 176.A OG1 ALA 173.A O no hydrogen 2.644 N/A ILE 177.A N LEU 174.A O no hydrogen 3.268 N/A VAL 178.A N VAL 175.A O no hydrogen 3.426 N/A LEU 181.A N ILE 177.A O no hydrogen 2.888 N/A GLY 182.A N VAL 178.A O no hydrogen 2.778 N/A GLU 183.A N LYS 179.A O no hydrogen 3.010 N/A ARG 184.A N THR 180.A O no hydrogen 2.934 N/A ARG 184.A NH1 LYS 163.A O no hydrogen 3.055 N/A ILE 185.A N LEU 181.A O no hydrogen 2.873 N/A PHE 186.A N GLY 182.A O no hydrogen 3.245 N/A ALA 187.A N ARG 184.A O no hydrogen 2.864 N/A