Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N LEU 16.A O no hydrogen 2.993 N/A LEU 5.A N GLY 14.A O no hydrogen 2.875 N/A LEU 6.A N LEU 28.A O no hydrogen 3.194 N/A ASN 7.A N VAL 11.A O no hydrogen 2.938 N/A ASN 7.A ND2 GLN 9.A O no hydrogen 2.483 N/A VAL 11.A N GLN 9.A O no hydrogen 2.509 N/A THR 13.A N LEU 5.A O no hydrogen 2.743 N/A LEU 16.A N VAL 3.A O no hydrogen 3.292 N/A LYS 18.A N GLU 1.A O no hydrogen 3.068 N/A LYS 18.A NZ GLU 1.A OE2 no hydrogen 3.036 N/A TYR 19.A N GLU 17.A OE1 no hydrogen 2.727 N/A ALA 20.A N GLU 17.A OE2 no hydrogen 3.324 N/A ALA 21.A N LYS 18.A O no hydrogen 3.131 N/A HIS 22.A N TYR 19.A O no hydrogen 3.245 N/A HIS 22.A ND1 LYS 18.A O no hydrogen 3.210 N/A HIS 22.A NE2 HIS 29.A NE2 no hydrogen 3.015 N/A THR 23.A N THR 26.A OG1 no hydrogen 2.771 N/A ASP 25.A N THR 23.A OG1 no hydrogen 2.589 N/A THR 26.A OG1 ALA 21.A O no hydrogen 3.412 N/A THR 26.A OG1 THR 23.A O no hydrogen 3.019 N/A THR 26.A OG1 VAL 110.A O no hydrogen 2.565 N/A HIS 29.A N ASN 112.A O no hydrogen 2.912 N/A HIS 29.A ND1 ARG 27.A O no hydrogen 2.835 N/A HIS 29.A NE2 HIS 66.A NE2 no hydrogen 3.135 N/A HIS 29.A NE2 GLU 113.A OE2 no hydrogen 3.053 N/A LEU 30.A N ILE 4.A O no hydrogen 2.847 N/A ALA 31.A N VAL 114.A O no hydrogen 3.004 N/A PHE 32.A N GLY 65.A O no hydrogen 2.737 N/A SER 33.A N PRO 116.A O no hydrogen 3.044 N/A SER 33.A OG ASN 61.A OD1 no hydrogen 2.724 N/A SER 33.A OG GLN 162.A OE1 no hydrogen 3.166 N/A SER 34.A N VAL 63.A O no hydrogen 2.789 N/A TRP 35.A N PHE 118.A O no hydrogen 2.883 N/A TRP 35.A NE1 GLN 162.A OE1 no hydrogen 2.745 N/A LEU 36.A N SER 62.A OG no hydrogen 2.632 N/A PHE 37.A N ALA 120.A O no hydrogen 2.977 N/A ASN 38.A N GLN 42.A O no hydrogen 2.873 N/A ASN 38.A ND2 GLN 42.A OE1 no hydrogen 2.854 N/A GLY 41.A N ASN 38.A O no hydrogen 2.804 N/A GLN 42.A N ASN 38.A OD1 no hydrogen 2.810 N/A LEU 43.A N CYS 139.A O no hydrogen 2.841 N/A LEU 44.A N LEU 36.A O no hydrogen 2.722 N/A VAL 45.A N GLN 137.A O no hydrogen 2.899 N/A THR 46.A N THR 60.A O no hydrogen 3.132 N/A THR 46.A OG1 ASN 61.A O no hydrogen 3.050 N/A THR 46.A OG1 SER 62.A O no hydrogen 3.555 N/A ARG 47.A N ASP 135.A O no hydrogen 2.870 N/A ARG 47.A NE GLY 57.A O no hydrogen 2.964 N/A ARG 47.A NH2 GLY 57.A O no hydrogen 3.284 N/A ARG 48.A N VAL 58.A O no hydrogen 2.839 N/A ARG 48.A NE ALA 54.A O no hydrogen 2.990 N/A ARG 48.A NE TRP 55.A O no hydrogen 3.127 N/A ARG 48.A NH2 ALA 54.A O no hydrogen 2.802 N/A ALA 49.A N GLU 132.A O no hydrogen 2.946 N/A LYS 52.A N ALA 49.A O no hydrogen 3.259 N/A LYS 52.A NZ GLU 132.A OE1 no hydrogen 2.497 N/A LYS 52.A NZ GLU 132.A OE2 no hydrogen 3.339 N/A LYS 53.A NZ TYR 19.A O no hydrogen 3.556 N/A LYS 53.A NZ HIS 22.A O no hydrogen 3.303 N/A TRP 55.A N ASP 105.A OD2 no hydrogen 2.932 N/A GLY 57.A N ARG 48.A O no hydrogen 2.812 N/A GLY 57.A N ALA 49.A O no hydrogen 3.336 N/A THR 60.A N THR 46.A O no hydrogen 2.748 N/A SER 62.A OG LEU 44.A O no hydrogen 2.589 N/A VAL 63.A N SER 34.A O no hydrogen 3.246 N/A GLY 65.A N PHE 32.A O no hydrogen 3.052 N/A HIS 66.A NE2 HIS 29.A NE2 no hydrogen 3.135 N/A GLN 68.A N GLU 71.A OE1 no hydrogen 2.847 N/A LEU 69.A N HIS 2.A NE2 no hydrogen 2.905 N/A GLU 71.A N GLN 68.A O no hydrogen 2.939 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.499 N/A ASP 75.A N SER 72.A OG no hydrogen 2.884 N/A ALA 76.A N SER 72.A O no hydrogen 2.836 N/A VAL 77.A N ASN 73.A O no hydrogen 2.928 N/A ILE 78.A N GLU 74.A O no hydrogen 3.118 N/A ARG 79.A N ASP 75.A O no hydrogen 2.842 N/A ARG 79.A NE GLU 71.A OE2 no hydrogen 2.613 N/A ARG 79.A NH1 HIS 66.A O no hydrogen 2.974 N/A ARG 79.A NH1 GLU 71.A OE1 no hydrogen 2.642 N/A ARG 80.A N ALA 76.A O no hydrogen 2.946 N/A ARG 80.A NE GLU 84.A OE2 no hydrogen 3.153 N/A ARG 80.A NH2 GLU 84.A OE2 no hydrogen 3.315 N/A CYS 81.A N VAL 77.A O no hydrogen 2.714 N/A CYS 81.A SG VAL 77.A O no hydrogen 3.227 N/A ARG 82.A N ILE 78.A O no hydrogen 2.934 N/A ARG 82.A NE GLU 88.A OE1 no hydrogen 3.273 N/A ARG 82.A NE GLU 88.A OE2 no hydrogen 2.667 N/A ARG 82.A NH2 GLU 88.A OE1 no hydrogen 2.655 N/A ARG 82.A NH2 GLU 88.A OE2 no hydrogen 3.518 N/A TYR 83.A N ARG 79.A O no hydrogen 2.757 N/A GLU 84.A N ARG 80.A O no hydrogen 2.780 N/A LEU 85.A N CYS 81.A O no hydrogen 3.131 N/A VAL 87.A N CYS 81.A O no hydrogen 3.148 N/A GLU 88.A N SER 124.A OG no hydrogen 2.918 N/A THR 90.A N ARG 121.A O no hydrogen 2.912 N/A THR 90.A OG1 ARG 121.A O no hydrogen 3.378 N/A GLU 93.A N ALA 119.A O no hydrogen 2.876 N/A ILE 95.A N VAL 117.A O no hydrogen 3.006 N/A TYR 96.A N VAL 117.A O no hydrogen 3.309 N/A PHE 99.A N TYR 96.A O no hydrogen 3.464 N/A ARG 100.A NH2 ASN 112.A OD1 no hydrogen 2.674 N/A TYR 101.A N GLU 113.A O no hydrogen 2.824 N/A ALA 103.A N GLU 111.A O no hydrogen 2.929 N/A ASP 105.A N ILE 109.A O no hydrogen 2.637 N/A SER 107.A N ASP 105.A OD1 no hydrogen 2.849 N/A SER 107.A OG ASP 105.A OD1 no hydrogen 3.151 N/A GLY 108.A N ASP 105.A O no hydrogen 2.874 N/A ILE 109.A N ASP 105.A OD1 no hydrogen 2.846 N/A VAL 110.A N THR 23.A O no hydrogen 2.749 N/A GLU 111.A N ALA 103.A O no hydrogen 3.061 N/A ASN 112.A ND2 THR 26.A O no hydrogen 3.289 N/A GLU 113.A N TYR 101.A O no hydrogen 2.953 N/A VAL 114.A N HIS 29.A O no hydrogen 3.156 N/A CYS 115.A N PHE 99.A O no hydrogen 2.847 N/A VAL 117.A N TYR 96.A O no hydrogen 2.950 N/A PHE 118.A N SER 33.A O no hydrogen 2.640 N/A ALA 119.A N GLU 93.A O no hydrogen 2.949 N/A ALA 120.A N TRP 35.A O no hydrogen 3.099 N/A ARG 121.A N THR 90.A OG1 no hydrogen 3.045 N/A ARG 121.A NH1 ASN 38.A O no hydrogen 2.497 N/A THR 122.A N PHE 37.A O no hydrogen 3.011 N/A THR 123.A N GLU 88.A O no hydrogen 2.941 N/A SER 124.A OG ALA 125.A O no hydrogen 3.461 N/A GLN 127.A N LEU 85.A O no hydrogen 2.824 N/A ASN 129.A N GLU 84.A O no hydrogen 3.012 N/A ASN 129.A ND2 TYR 83.A O no hydrogen 3.000 N/A ASP 131.A N ASN 129.A OD1 no hydrogen 2.794 N/A GLU 132.A N ASN 129.A O no hydrogen 2.876 N/A VAL 133.A N ASN 129.A O no hydrogen 3.031 N/A MET 134.A N ARG 47.A O no hydrogen 3.038 N/A TYR 136.A N ASP 135.A OD1 no hydrogen 2.675 N/A GLN 137.A N VAL 45.A O no hydrogen 2.854 N/A GLN 137.A NE2 TYR 136.A O no hydrogen 3.353 N/A CYS 139.A N LEU 43.A O no hydrogen 3.066 N/A CYS 139.A SG LEU 43.A O no hydrogen 4.037 N/A CYS 139.A SG GLN 137.A O no hydrogen 3.815 N/A VAL 144.A N ASP 140.A O no hydrogen 3.110 N/A LEU 145.A N LEU 141.A O no hydrogen 2.825 N/A HIS 146.A N ALA 142.A O no hydrogen 3.128 N/A GLY 147.A N ASP 143.A O no hydrogen 2.976 N/A ILE 148.A N VAL 144.A O no hydrogen 2.882 N/A ASP 149.A N LEU 145.A O no hydrogen 2.760 N/A ALA 150.A N HIS 146.A O no hydrogen 2.840 N/A THR 151.A N GLY 147.A O no hydrogen 2.923 N/A THR 151.A OG1 GLY 147.A O no hydrogen 3.185 N/A ALA 154.A N THR 151.A O no hydrogen 3.018 N/A PHE 155.A N PRO 152.A O no hydrogen 2.918 N/A SER 156.A N TRP 59.A O no hydrogen 2.856 N/A TRP 158.A N SER 156.A OG no hydrogen 2.735 N/A MET 159.A N SER 156.A OG no hydrogen 3.355 N/A VAL 160.A N SER 156.A O no hydrogen 3.035 N/A MET 161.A N PRO 157.A O no hydrogen 2.897 N/A GLN 162.A N TRP 158.A O no hydrogen 3.270 N/A GLN 162.A NE2 SER 33.A OG no hydrogen 3.270 N/A ALA 163.A N MET 159.A O no hydrogen 2.908 N/A THR 164.A N MET 161.A O no hydrogen 3.239 N/A THR 164.A OG1 VAL 160.A O no hydrogen 2.559 N/A THR 164.A OG1 MET 161.A O no hydrogen 3.167 N/A ASN 165.A N MET 161.A O no hydrogen 3.233 N/A ASN 165.A N GLN 162.A O no hydrogen 3.317 N/A ARG 166.A NH1 GLU 167.A OE1 no hydrogen 2.499 N/A ALA 168.A N ASN 165.A OD1 no hydrogen 2.779 N/A ARG 169.A N ASN 165.A O no hydrogen 3.054 N/A ARG 169.A NE ALA 163.A O no hydrogen 2.919 N/A ARG 169.A NH1 ASP 149.A OD2 no hydrogen 2.959 N/A ARG 169.A NH2 ASP 149.A OD1 no hydrogen 2.561 N/A ARG 169.A NH2 ASP 149.A OD2 no hydrogen 3.405 N/A ARG 169.A NH2 ALA 163.A O no hydrogen 3.287 N/A LYS 170.A N ARG 166.A O no hydrogen 3.105 N/A ARG 171.A N GLU 167.A O no hydrogen 2.927 N/A ARG 171.A NH2 GLU 167.A OE2 no hydrogen 2.498 N/A LEU 172.A N ALA 168.A O no hydrogen 2.778 N/A SER 173.A N ARG 169.A O no hydrogen 2.827 N/A SER 173.A OG ARG 169.A O no hydrogen 2.799 N/A ALA 174.A N LYS 170.A O no hydrogen 2.565 N/A PHE 175.A N ARG 171.A O no hydrogen 2.659 N/A THR 176.A N SER 173.A O no hydrogen 3.342 N/A