Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q1s_I.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N CYS 112.A O no hydrogen 2.913 N/A ASN 7.A N ASP 4.A O no hydrogen 2.446 N/A ASN 7.A ND2 ASP 4.A O no hydrogen 2.962 N/A ASN 15.A N GLU 12.A O no hydrogen 3.189 N/A ASN 15.A ND2 GLU 12.A O no hydrogen 3.010 N/A TRP 16.A N ALA 13.A O no hydrogen 2.977 N/A TRP 16.A NE1 GLU 12.A OE1 no hydrogen 3.339 N/A ASP 17.A N ALA 13.A O no hydrogen 3.158 N/A THR 20.A N ASP 18.A OD1 no hydrogen 2.889 N/A THR 20.A OG1 ASP 18.A OD1 no hydrogen 2.704 N/A ASP 21.A N ASP 18.A O no hydrogen 3.044 N/A ARG 23.A NH1 ASP 18.A O no hydrogen 3.066 N/A ARG 23.A NH2 ASP 18.A O no hydrogen 3.569 N/A LEU 24.A N GLU 100.A OE2 no hydrogen 2.619 N/A ILE 25.A N GLU 100.A OE1 no hydrogen 3.086 N/A LEU 29.A N GLY 26.A O no hydrogen 3.127 N/A PHE 30.A N GLU 27.A O no hydrogen 2.971 N/A HIS 31.A N LYS 28.A O no hydrogen 3.116 N/A VAL 33.A N PHE 30.A O no hydrogen 3.070 N/A SER 34.A OG SER 36.A OG no hydrogen 2.928 N/A SER 36.A OG SER 34.A OG no hydrogen 2.928 N/A GLU 37.A N SER 34.A O no hydrogen 2.910 N/A ARG 38.A N MET 35.A O no hydrogen 3.175 N/A ARG 38.A NE VAL 33.A O no hydrogen 3.518 N/A TYR 40.A OH ASP 72.A OD2 no hydrogen 2.855 N/A LEU 41.A N GLU 37.A O no hydrogen 3.130 N/A MET 42.A N ARG 38.A O no hydrogen 2.858 N/A LYS 43.A N CYS 39.A O no hydrogen 2.778 N/A LYS 43.A NZ LEU 63.A O no hydrogen 3.087 N/A LYS 43.A NZ SER 64.A O no hydrogen 3.410 N/A LYS 43.A NZ CYS 66.A O no hydrogen 2.664 N/A GLN 44.A N TYR 40.A O no hydrogen 3.282 N/A GLN 44.A NE2 TYR 40.A O no hydrogen 3.097 N/A VAL 45.A N LEU 41.A O no hydrogen 3.161 N/A LEU 46.A N MET 42.A O no hydrogen 3.172 N/A ASN 47.A N LYS 43.A O no hydrogen 2.891 N/A PHE 48.A N GLN 44.A O no hydrogen 2.850 N/A THR 49.A N VAL 45.A O no hydrogen 3.046 N/A LEU 50.A N LEU 46.A O no hydrogen 3.131 N/A GLU 52.A N THR 49.A O no hydrogen 2.919 N/A ALA 57.A N VAL 53.A O no hydrogen 2.930 N/A ARG 58.A N PRO 54.A O no hydrogen 3.218 N/A LEU 59.A N PHE 55.A O no hydrogen 3.234 N/A SER 60.A N LEU 56.A O no hydrogen 2.807 N/A SER 60.A OG ASN 47.A OD1 no hydrogen 2.879 N/A ASN 61.A N ALA 57.A O no hydrogen 2.832 N/A LEU 63.A N SER 60.A O no hydrogen 2.627 N/A SER 64.A N ASN 61.A O no hydrogen 3.162 N/A SER 64.A OG ASN 61.A O no hydrogen 3.216 N/A CYS 66.A N LEU 63.A O no hydrogen 3.066 N/A LEU 73.A N ASP 71.A OD2 no hydrogen 2.979 N/A HIS 74.A NE2 GLU 37.A OE1 no hydrogen 2.839 N/A ILE 75.A N ASP 72.A O no hydrogen 3.005 N/A GLN 76.A N ASP 72.A O no hydrogen 2.973 N/A GLN 76.A NE2 ASP 72.A OD2 no hydrogen 2.782 N/A ARG 77.A N LEU 73.A O no hydrogen 2.896 N/A ASN 78.A N ILE 75.A O no hydrogen 3.025 N/A ASN 78.A ND2 LEU 29.A O no hydrogen 3.029 N/A ASN 78.A ND2 HIS 31.A O no hydrogen 2.898 N/A VAL 79.A N ILE 75.A O no hydrogen 3.168 N/A GLN 80.A N GLN 76.A O no hydrogen 2.832 N/A LYS 81.A N ARG 77.A O no hydrogen 3.363 N/A LEU 82.A N ASN 78.A O no hydrogen 3.426 N/A LYS 83.A N VAL 79.A O no hydrogen 3.051 N/A ASP 84.A N GLN 80.A O no hydrogen 2.907 N/A THR 85.A N LYS 81.A O no hydrogen 3.179 N/A THR 85.A OG1 LYS 81.A O no hydrogen 3.002 N/A VAL 86.A N LEU 82.A O no hydrogen 2.766 N/A LYS 87.A N ASP 84.A O no hydrogen 3.274 N/A LYS 88.A N ASP 84.A O no hydrogen 2.826 N/A GLY 90.A N LYS 87.A O no hydrogen 2.520 N/A SER 92.A OG LEU 89.A O no hydrogen 3.290 N/A GLU 94.A N GLY 90.A O no hydrogen 2.923 N/A ILE 95.A N GLU 91.A O no hydrogen 2.839 N/A LYS 96.A N SER 92.A O no hydrogen 2.662 N/A LYS 96.A NZ VAL 22.A O no hydrogen 3.004 N/A LYS 96.A NZ GLU 100.A OE2 no hydrogen 3.382 N/A ALA 97.A N GLY 93.A O no hydrogen 2.671 N/A ILE 98.A N GLU 94.A O no hydrogen 2.650 N/A GLY 99.A N ILE 95.A O no hydrogen 2.524 N/A GLU 100.A N LYS 96.A O no hydrogen 3.153 N/A GLU 100.A N ALA 97.A O no hydrogen 3.147 N/A LEU 101.A N ILE 98.A O no hydrogen 3.455 N/A ASP 102.A N ASP 102.A OD1 no hydrogen 2.435 N/A LEU 103.A N ASP 102.A OD1 no hydrogen 2.750 N/A LEU 104.A N GLU 100.A O no hydrogen 3.168 N/A PHE 105.A N ASP 102.A O no hydrogen 2.895 N/A MET 106.A N ASP 102.A O no hydrogen 2.943 N/A SER 107.A N LEU 103.A O no hydrogen 2.904 N/A SER 107.A OG LEU 103.A O no hydrogen 3.381 N/A LEU 108.A N LEU 104.A O no hydrogen 3.083 N/A ARG 109.A N PHE 105.A O no hydrogen 2.976 N/A ASN 110.A N MET 106.A O no hydrogen 3.152 N/A ALA 111.A N SER 107.A O no hydrogen 3.069 N/A CYS 112.A N LEU 108.A O no hydrogen 2.927 N/A CYS 112.A N ARG 109.A O no hydrogen 3.187 N/A CYS 112.A SG LEU 108.A O no hydrogen 3.322 N/A ILE 113.A N ARG 109.A O no hydrogen 2.971 N/A