Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hkr_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N GLU 1.A O no hydrogen 3.266 N/A CYS 5.A SG GLN 68.A O no hydrogen 3.360 N/A ASP 6.A N SER 4.A OG no hydrogen 3.140 N/A TYR 7.A N SER 4.A O no hydrogen 3.081 N/A ARG 9.A NH1.B SER 103.A O no hydrogen 2.795 N/A HIS 10.A N TYR 7.A O no hydrogen 2.950 N/A HIS 10.A ND1 SER 103.A OG no hydrogen 2.707 N/A HIS 10.A NE2 VAL 2.A O no hydrogen 2.831 N/A CYS 11.A SG THR 41.A O no hydrogen 3.440 N/A ALA 12.A N TYR 55.A OH no hydrogen 3.132 N/A VAL 13.A N HIS 10.A O no hydrogen 3.253 N/A GLY 15.A N CYS 69.A O no hydrogen 2.972 N/A LEU 17.A N CYS 67.A O no hydrogen 3.001 N/A CYS 18.A N THR 101.A O no hydrogen 2.990 N/A SER 19.A OG ASN 3.A OD1 no hydrogen 2.690 N/A CYS 20.A N LEU 17.A O no hydrogen 2.967 N/A CYS 20.A SG ASN 3.A O no hydrogen 3.938 N/A CYS 21.A N CYS 18.A O no hydrogen 2.905 N/A CYS 21.A SG LEU 17.A O no hydrogen 3.263 N/A GLY 23.A N CYS 18.A O no hydrogen 3.104 N/A THR 24.A N THR 27.A O no hydrogen 3.067 N/A THR 24.A OG1 THR 27.A OG1 no hydrogen 2.680 N/A THR 26.A N THR 24.A OG1 no hydrogen 3.225 N/A THR 27.A N THR 24.A O no hydrogen 3.437 N/A THR 27.A OG1 THR 24.A OG1 no hydrogen 2.680 N/A SER 32.A N PRO 29.A O no hydrogen 3.083 N/A SER 32.A OG PRO 29.A O no hydrogen 2.790 N/A THR 33.A N CYS 59.A O no hydrogen 2.872 N/A SER 35.A N ASP 57.A O no hydrogen 2.811 N/A SER 35.A OG ILE 37.A O no hydrogen 2.725 N/A SER 35.A OG ASP 57.A O no hydrogen 3.427 N/A SER 38.A OG SER 54.A OG.A no hydrogen 2.676 N/A GLY 40.A N ILE 53.A O no hydrogen 2.781 N/A CYS 42.A N TYR 51.A O no hydrogen 2.884 N/A CYS 42.A SG ARG 9.A O no hydrogen 3.841 N/A CYS 42.A SG TYR 55.A OH no hydrogen 3.230 N/A HIS 43.A ND1 ASP 50.A OD1 no hydrogen 2.955 N/A ASN 44.A N LYS 49.A O no hydrogen 2.838 N/A HIS 46.A N ASN 44.A OD1 no hydrogen 2.772 N/A ASP 47.A N ASN 44.A OD1 no hydrogen 3.163 N/A GLY 48.A N ASN 44.A O no hydrogen 2.939 N/A LYS 49.A N ASP 47.A OD1 no hydrogen 2.827 N/A TYR 51.A N CYS 42.A O no hydrogen 2.866 N/A TYR 51.A OH ASP 47.A OD2 no hydrogen 2.490 N/A LEU 52.A N GLY 107.A O no hydrogen 2.795 N/A ILE 53.A N GLY 40.A O no hydrogen 2.831 N/A SER 54.A N VAL 104.A O no hydrogen 2.751 N/A SER 54.A OG.A SER 38.A OG no hydrogen 2.676 N/A SER 54.A OG.B VAL 104.A O no hydrogen 3.252 N/A TYR 55.A OH ARG 9.A O no hydrogen 2.698 N/A HIS 56.A ND1 SER 35.A O no hydrogen 2.716 N/A ASP 57.A N SER 35.A OG no hydrogen 2.885 N/A CYS 58.A N CYS 100.A O no hydrogen 2.795 N/A CYS 59.A N THR 33.A O no hydrogen 2.802 N/A CYS 59.A SG THR 33.A O no hydrogen 3.572 N/A GLY 60.A N THR 97.A O no hydrogen 2.836 N/A LYS 61.A NZ PRO 30.A O no hydrogen 2.795 N/A CYS 64.A N HIS 99.A O no hydrogen 3.009 N/A ARG 66.A NH1 CYS 64.A O no hydrogen 2.937 N/A CYS 67.A SG ASN 3.A O no hydrogen 3.607 N/A CYS 69.A N GLY 15.A O no hydrogen 2.791 N/A CYS 69.A SG CYS 67.A O no hydrogen 3.628 N/A THR 71.A N VAL 13.A O no hydrogen 2.859 N/A THR 71.A OG1.A HIS 10.A O no hydrogen 2.503 N/A THR 71.A OG1.A VAL 13.A O no hydrogen 3.215 N/A GLN 72.A NE2 ASN 85.A OD1 no hydrogen 3.267 N/A THR 73.A N CYS 11.A O no hydrogen 2.970 N/A ARG 74.A NE THR 41.A O no hydrogen 2.755 N/A ARG 74.A NH2 THR 41.A O no hydrogen 2.892 N/A GLU 75.A N GLN 72.A O no hydrogen 3.099 N/A ARG 76.A N LEU 83.A O no hydrogen 3.197 N/A ARG 76.A NH1 GLU 75.A O no hydrogen 2.898 N/A GLU 80.A N PRO 77.A O no hydrogen 2.855 N/A LEU 83.A N GLU 80.A O no hydrogen 2.920 N/A HIS 84.A N PHE 81.A O no hydrogen 3.156 N/A HIS 84.A ND1 GLU 75.A OE2 no hydrogen 2.775 N/A HIS 84.A ND1 ARG 76.A O no hydrogen 2.985 N/A ASN 85.A N GLU 75.A OE2 no hydrogen 2.889 N/A ASN 85.A ND2 ALA 12.A O no hydrogen 2.911 N/A ASN 85.A ND2 THR 71.A O no hydrogen 3.277 N/A ASN 85.A ND2 GLN 72.A OE1 no hydrogen 3.334 N/A ASN 88.A ND2 SER 96.A O no hydrogen 2.835 N/A TRP 89.A NE1 HIS 84.A O no hydrogen 3.007 N/A CYS 90.A N ASN 88.A OD1 no hydrogen 3.106 N/A CYS 90.A SG CYS 58.A O no hydrogen 3.661 N/A CYS 90.A SG THR 97.A O no hydrogen 3.952 N/A MET 91.A N ASN 88.A O no hydrogen 2.939 N/A ASN 93.A N CYS 90.A O no hydrogen 2.994 N/A THR 97.A N ASN 95.A OD1 no hydrogen 3.042 N/A THR 97.A OG1 ASN 95.A OD1 no hydrogen 2.692 N/A HIS 99.A N CYS 58.A O no hydrogen 2.972 N/A HIS 99.A ND1 THR 62.A O no hydrogen 2.756 N/A CYS 100.A N CYS 58.A O no hydrogen 3.343 N/A THR 101.A N PHE 16.A O no hydrogen 2.738 N/A THR 101.A OG1 ASP 57.A OD1 no hydrogen 3.052 N/A THR 102.A N HIS 56.A O no hydrogen 2.872 N/A THR 102.A OG1 HIS 56.A O no hydrogen 2.738 N/A SER 103.A N THR 25.A O no hydrogen 3.110 N/A SER 103.A OG HIS 10.A ND1 no hydrogen 2.707 N/A VAL 104.A N SER 54.A O no hydrogen 2.963 N/A VAL 106.A N LEU 52.A O no hydrogen 2.873 N/A ALA 109.A N ASP 50.A O no hydrogen 2.874 N/A