Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2que_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 4.A OE1 no hydrogen 2.742 N/A SER 1.A N ASP 62.A O no hydrogen 2.670 N/A SER 1.A OG GLU 4.A OE1 no hydrogen 2.526 N/A SER 1.A OG GLU 4.A OE2 no hydrogen 3.023 N/A LEU 2.A N LYS 60.A O no hydrogen 3.038 N/A PHE 5.A N SER 1.A O no hydrogen 3.166 N/A GLY 6.A N LEU 2.A O no hydrogen 2.951 N/A LYS 7.A N LEU 3.A O no hydrogen 3.401 N/A LYS 7.A NZ GLU 11.A OE2 no hydrogen 3.233 N/A LYS 7.A NZ TYR 66.A OH no hydrogen 3.104 N/A MET 8.A N GLU 4.A O no hydrogen 2.995 N/A ILE 9.A N PHE 5.A O no hydrogen 2.939 N/A LEU 10.A N GLY 6.A O no hydrogen 3.034 N/A GLU 11.A N LYS 7.A O no hydrogen 3.038 N/A GLU 12.A N MET 8.A O no hydrogen 2.992 N/A THR 13.A N ILE 9.A O no hydrogen 2.885 N/A THR 13.A OG1 ILE 9.A O no hydrogen 3.022 N/A GLY 14.A N LEU 10.A O no hydrogen 2.838 N/A LYS 15.A N THR 13.A OG1 no hydrogen 3.060 N/A SER 20.A N LEU 16.A O no hydrogen 3.177 N/A TYR 21.A N ALA 17.A O no hydrogen 2.601 N/A TYR 24.A N CYS 28.A O no hydrogen 3.106 N/A TYR 24.A OH ASP 38.A OD2 no hydrogen 2.703 N/A GLY 25.A N TYR 107.A O no hydrogen 2.646 N/A CYS 26.A N ASP 41.A OD2 no hydrogen 2.924 N/A CYS 26.A SG THR 35.A O no hydrogen 4.047 N/A TYR 27.A N ASP 41.A OD1 no hydrogen 2.756 N/A TYR 27.A OH GLY 34.A O no hydrogen 2.573 N/A CYS 28.A N TYR 24.A O no hydrogen 3.047 N/A CYS 28.A SG THR 40.A O no hydrogen 3.848 N/A CYS 28.A SG ASP 41.A OD1 no hydrogen 3.850 N/A LYS 33.A NZ ASP 112.A O no hydrogen 3.334 N/A LYS 33.A NZ ASP 112.A OD1 no hydrogen 3.379 N/A LYS 33.A NZ CYS 115.A O no hydrogen 3.245 N/A GLY 34.A N GLU 118.A OE1 no hydrogen 3.491 N/A THR 35.A OG1 LYS 116.A O no hydrogen 2.890 N/A LYS 37.A N ASP 41.A OD2 no hydrogen 2.763 N/A ASP 41.A N ASP 38.A OD1 no hydrogen 2.755 N/A ARG 42.A N ASP 38.A O no hydrogen 2.835 N/A CYS 43.A N ALA 39.A O no hydrogen 2.985 N/A CYS 43.A SG ALA 39.A O no hydrogen 3.442 N/A CYS 44.A N THR 40.A O no hydrogen 3.346 N/A CYS 44.A SG THR 40.A O no hydrogen 3.638 N/A PHE 45.A N ASP 41.A O no hydrogen 3.014 N/A VAL 46.A N ARG 42.A O no hydrogen 3.015 N/A HIS 47.A N CYS 43.A O no hydrogen 2.954 N/A HIS 47.A NE2 ASP 89.A OD1 no hydrogen 2.558 N/A ASP 48.A N CYS 44.A O no hydrogen 2.770 N/A CYS 49.A N PHE 45.A O no hydrogen 2.814 N/A CYS 49.A SG PHE 45.A O no hydrogen 3.413 N/A CYS 50.A N VAL 46.A O no hydrogen 2.727 N/A TYR 51.A N HIS 47.A O no hydrogen 3.015 N/A TYR 51.A OH ASP 89.A OD1 no hydrogen 2.664 N/A TYR 51.A OH ASP 89.A OD2 no hydrogen 3.351 N/A GLY 52.A N ASP 48.A O no hydrogen 2.908 N/A ASN 53.A N CYS 50.A O no hydrogen 3.231 N/A LEU 54.A N TYR 51.A O no hydrogen 2.962 N/A CYS 57.A N LEU 54.A O no hydrogen 3.038 N/A ASP 62.A N ASN 58.A O no hydrogen 2.855 N/A TYR 64.A N GLU 4.A OE1 no hydrogen 3.406 N/A TYR 64.A OH ASP 89.A OD2 no hydrogen 2.771 N/A TYR 66.A OH GLU 11.A OE1 no hydrogen 2.817 N/A LYS 67.A N VAL 74.A O no hydrogen 3.005 N/A ARG 68.A NE GLU 11.A OE1 no hydrogen 3.178 N/A ARG 68.A NH1 GLU 12.A OE2 no hydrogen 2.565 N/A ARG 68.A NH1 GLY 71.A O no hydrogen 2.457 N/A ARG 68.A NH2 GLU 11.A OE1 no hydrogen 3.048 N/A ARG 68.A NH2 GLU 12.A OE2 no hydrogen 2.807 N/A VAL 69.A N ALA 72.A O no hydrogen 2.895 N/A VAL 74.A N LYS 67.A O no hydrogen 2.892 N/A CYS 75.A SG GLU 87.A OE2 no hydrogen 3.705 N/A GLU 76.A N LYS 65.A O no hydrogen 2.966 N/A GLY 78.A N ASN 83.A OD1 no hydrogen 3.011 N/A THR 79.A N GLU 82.A OE1 no hydrogen 2.922 N/A CYS 81.A SG ASP 56.A O no hydrogen 3.750 N/A GLU 82.A N THR 79.A OG1 no hydrogen 3.391 N/A ASN 83.A N THR 79.A O no hydrogen 3.135 N/A ARG 84.A N SER 80.A O no hydrogen 3.337 N/A ILE 85.A N CYS 81.A O no hydrogen 2.917 N/A CYS 86.A N GLU 82.A O no hydrogen 3.103 N/A GLU 87.A N ASN 83.A O no hydrogen 3.066 N/A CYS 88.A N ARG 84.A O no hydrogen 3.098 N/A CYS 88.A SG ARG 84.A O no hydrogen 3.410 N/A ASP 89.A N ILE 85.A O no hydrogen 2.957 N/A LYS 90.A N CYS 86.A O no hydrogen 2.734 N/A LYS 90.A NZ ILE 73.A O no hydrogen 2.890 N/A ALA 91.A N GLU 87.A O no hydrogen 3.078 N/A ALA 92.A N CYS 88.A O no hydrogen 3.226 N/A ALA 93.A N ASP 89.A O no hydrogen 3.036 N/A ILE 94.A N LYS 90.A O no hydrogen 3.153 N/A CYS 95.A N ALA 91.A O no hydrogen 2.895 N/A PHE 96.A N ALA 92.A O no hydrogen 2.763 N/A ARG 97.A N ALA 93.A O no hydrogen 2.972 N/A ARG 97.A NH2 ARG 97.A O no hydrogen 3.038 N/A GLN 98.A N ILE 94.A O no hydrogen 2.863 N/A ASN 99.A N CYS 95.A O no hydrogen 3.202 N/A ASN 99.A N PHE 96.A O no hydrogen 3.267 N/A ASN 99.A ND2 CYS 95.A O no hydrogen 2.921 N/A LEU 100.A N ARG 97.A O no hydrogen 3.357 N/A THR 102.A N ASN 99.A O no hydrogen 3.111 N/A THR 102.A OG1 ASN 99.A O no hydrogen 3.164 N/A TYR 103.A N LEU 100.A O no hydrogen 3.208 N/A TYR 103.A OH SER 20.A O no hydrogen 2.739 N/A SER 104.A N TYR 24.A OH no hydrogen 3.067 N/A SER 104.A OG THR 102.A O no hydrogen 2.942 N/A TYR 107.A N SER 104.A O no hydrogen 3.155 N/A MET 108.A N LYS 105.A O no hydrogen 3.284 N/A LEU 109.A N SER 23.A O no hydrogen 2.908 N/A LEU 114.A N PRO 111.A O no hydrogen 3.152 N/A CYS 115.A N ASP 112.A O no hydrogen 3.162 N/A CYS 115.A SG PRO 111.A O no hydrogen 4.034 N/A LEU 119.A N GLU 118.A OE2 no hydrogen 2.893 N/A