Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N THR 40.A OG1 no hydrogen 2.838 N/A LYS 1.A N ASP 86.A OD1 no hydrogen 3.194 N/A LYS 1.A NZ GLU 7.A OE1 no hydrogen 3.032 N/A LEU 3.A N TYR 38.A O no hydrogen 3.044 N/A LYS 4.A N GLU 7.A OE2 no hydrogen 2.839 N/A LYS 5.A NZ LYS 122.A O no hydrogen 3.179 N/A LYS 5.A NZ LYS 124.A O no hydrogen 3.067 N/A GLN 6.A NE2 CYS 125.A O no hydrogen 2.600 N/A GLU 7.A N LYS 4.A O no hydrogen 2.998 N/A LEU 8.A N LYS 4.A O no hydrogen 3.150 N/A CYS 9.A N LYS 5.A O no hydrogen 2.888 N/A CYS 9.A SG LYS 5.A O no hydrogen 3.250 N/A CYS 9.A SG GLN 6.A OE1 no hydrogen 3.816 N/A LYS 10.A N GLN 6.A O no hydrogen 2.936 N/A ASN 11.A N GLU 7.A O no hydrogen 3.031 N/A ASN 11.A ND2 GLU 7.A O no hydrogen 2.760 N/A LEU 12.A N LEU 8.A O no hydrogen 3.056 N/A VAL 13.A N CYS 9.A O no hydrogen 3.192 N/A ALA 14.A N LYS 10.A O no hydrogen 2.825 N/A GLN 15.A N ASN 11.A O no hydrogen 2.871 N/A GLY 16.A N VAL 13.A O no hydrogen 2.971 N/A MET 17.A N LEU 12.A O no hydrogen 2.834 N/A GLY 19.A N ILE 23.A O no hydrogen 2.956 N/A TYR 20.A N MET 17.A O no hydrogen 3.304 N/A TYR 20.A OH LYS 96.A O no hydrogen 2.820 N/A HIS 22.A N GLY 19.A O no hydrogen 3.146 N/A ILE 23.A N TYR 20.A O no hydrogen 3.215 N/A ASN 27.A N THR 24.A O no hydrogen 3.089 N/A ASN 27.A ND2 THR 24.A OG1 no hydrogen 2.662 N/A TRP 28.A N THR 24.A O no hydrogen 3.314 N/A TRP 28.A NE1 MET 17.A O no hydrogen 3.063 N/A VAL 29.A N LEU 25.A O no hydrogen 2.825 N/A CYS 30.A N PRO 26.A O no hydrogen 2.984 N/A CYS 30.A SG HIS 34.A ND1 no hydrogen 3.396 N/A THR 31.A N ASN 27.A O no hydrogen 3.125 N/A THR 31.A OG1 ASN 27.A O no hydrogen 2.790 N/A ALA 32.A N TRP 28.A O no hydrogen 3.071 N/A PHE 33.A N VAL 29.A O no hydrogen 2.764 N/A HIS 34.A N CYS 30.A O no hydrogen 2.991 N/A HIS 34.A ND1 CYS 30.A O no hydrogen 2.946 N/A GLU 35.A N THR 31.A O no hydrogen 2.882 N/A SER 36.A N ALA 32.A O no hydrogen 3.138 N/A SER 36.A OG ALA 32.A O no hydrogen 3.271 N/A SER 36.A OG ILE 55.A O no hydrogen 2.825 N/A SER 37.A N PHE 33.A O no hydrogen 2.791 N/A SER 37.A OG.B SER 37.A O no hydrogen 2.623 N/A ASN 39.A N SER 36.A O no hydrogen 2.997 N/A THR 40.A N LYS 1.A O no hydrogen 2.792 N/A THR 40.A OG1 LYS 1.A O no hydrogen 3.318 N/A THR 40.A OG1 ASP 85.A O no hydrogen 3.217 N/A THR 40.A OG1 ASP 86.A OD1 no hydrogen 3.267 N/A ARG 41.A N ASN 39.A OD1 no hydrogen 3.094 N/A ARG 41.A NE LEU 84.A O no hydrogen 3.507 N/A ALA 42.A N ASN 39.A O no hydrogen 3.107 N/A ASN 44.A N ASP 52.A O no hydrogen 3.034 N/A HIS 45.A ND1.A THR 51.A OG1 no hydrogen 3.096 N/A ASN 46.A N SER 50.A O no hydrogen 2.584 N/A ASN 46.A ND2 SER 50.A O no hydrogen 3.521 N/A ASN 46.A ND2 SER 50.A OG no hydrogen 3.271 N/A ASN 46.A ND2 ASP 52.A OD1 no hydrogen 3.182 N/A ASN 46.A ND2 ASP 52.A OD2 no hydrogen 3.487 N/A GLY 49.A N ASN 46.A O no hydrogen 3.120 N/A SER 50.A N ASP 48.A OD1 no hydrogen 3.000 N/A SER 50.A OG ASP 48.A OD1 no hydrogen 2.658 N/A SER 50.A OG ASP 48.A OD2 no hydrogen 3.509 N/A THR 51.A N SER 60.A OG no hydrogen 3.179 N/A THR 51.A OG1 HIS 45.A ND1.A no hydrogen 3.096 N/A ASP 52.A N ASN 44.A O no hydrogen 2.816 N/A TYR 53.A N ILE 58.A O no hydrogen 2.876 N/A TYR 53.A OH ASP 66.A OD2 no hydrogen 2.727 N/A GLY 54.A N ALA 42.A O no hydrogen 2.762 N/A GLN 57.A N GLY 54.A O no hydrogen 2.992 N/A GLN 57.A NE2 ALA 42.A O no hydrogen 3.114 N/A GLN 57.A NE2 ASP 52.A O no hydrogen 3.463 N/A GLN 57.A NE2 GLY 54.A O no hydrogen 2.941 N/A ILE 58.A N TYR 53.A O no hydrogen 2.919 N/A ASN 59.A ND2 SER 50.A OG no hydrogen 2.912 N/A ASN 59.A ND2 ASP 52.A OD1 no hydrogen 2.905 N/A SER 60.A N THR 51.A O no hydrogen 2.864 N/A SER 60.A OG THR 51.A O no hydrogen 3.324 N/A SER 60.A OG ASP 66.A OD2 no hydrogen 3.406 N/A SER 60.A OG THR 69.A OG1 no hydrogen 2.936 N/A ARG 61.A N ASN 59.A OD1 no hydrogen 3.005 N/A TYR 62.A N ASN 59.A OD1 no hydrogen 3.424 N/A TRP 63.A N ASN 59.A O no hydrogen 3.014 N/A CYS 64.A N ASN 59.A O no hydrogen 3.371 N/A HIS 65.A N ILE 78.A O no hydrogen 2.896 N/A LYS 68.A N ASP 66.A OD1 no hydrogen 3.148 N/A THR 69.A OG1 SER 60.A OG no hydrogen 2.936 N/A THR 69.A OG1 ASP 66.A OD1 no hydrogen 2.553 N/A THR 69.A OG1 ASP 66.A OD2 no hydrogen 3.214 N/A SER 72.A OG SER 60.A O no hydrogen 3.548 N/A LYS 73.A N ARG 61.A O no hydrogen 2.818 N/A ALA 75.A N TYR 62.A O no hydrogen 3.062 N/A CYS 76.A N TRP 63.A O no hydrogen 2.726 N/A ASN 77.A N ASN 74.A O no hydrogen 3.060 N/A ILE 78.A N ASN 74.A OD1 no hydrogen 2.954 N/A SER 79.A OG SER 81.A OG no hydrogen 3.292 N/A CYS 80.A N HIS 65.A O no hydrogen 2.838 N/A SER 81.A OG SER 79.A OG no hydrogen 3.292 N/A LYS 82.A N SER 79.A O no hydrogen 2.967 N/A LEU 83.A N CYS 80.A O no hydrogen 2.780 N/A LEU 84.A N SER 81.A O no hydrogen 3.188 N/A THR 89.A N ASP 87.A OD1 no hydrogen 3.000 N/A THR 89.A OG1 ASP 87.A OD1 no hydrogen 2.610 N/A THR 89.A OG1 ASP 87.A OD2 no hydrogen 3.500 N/A ASP 91.A N ASP 90.A OD1 no hydrogen 3.032 N/A LEU 92.A N ILE 88.A O no hydrogen 2.794 N/A LYS 93.A N THR 89.A O no hydrogen 3.042 N/A LYS 93.A NZ GLN 15.A OE1 no hydrogen 3.390 N/A CYS 94.A N ASP 90.A O no hydrogen 2.897 N/A ALA 95.A N ASP 91.A O no hydrogen 2.967 N/A LYS 96.A N LEU 92.A O no hydrogen 3.007 N/A LYS 96.A NZ GLN 15.A O no hydrogen 2.956 N/A LYS 97.A NZ GLU 101.A OE2 no hydrogen 2.478 N/A ILE 98.A N CYS 94.A O no hydrogen 3.086 N/A ALA 99.A N ALA 95.A O no hydrogen 2.997 N/A GLY 100.A N LYS 96.A O no hydrogen 2.868 N/A GLU 101.A N LYS 97.A O no hydrogen 2.982 N/A ALA 102.A N ILE 98.A O no hydrogen 3.096 N/A LYS 103.A N GLY 100.A O no hydrogen 3.388 N/A GLY 104.A N ALA 99.A O no hydrogen 3.082 N/A TRP 108.A N LEU 105.A O no hydrogen 3.148 N/A TRP 108.A NE1 LEU 56.A O no hydrogen 2.766 N/A ALA 110.A N GLU 35.A OE2 no hydrogen 3.100 N/A TRP 111.A N TRP 108.A O no hydrogen 3.106 N/A TRP 111.A NE1 ASN 27.A OD1 no hydrogen 2.776 N/A LYS 112.A N TRP 108.A O no hydrogen 3.419 N/A LYS 112.A NZ THR 106.A O no hydrogen 2.408 N/A SER 113.A N VAL 109.A O no hydrogen 3.063 N/A SER 113.A OG.A VAL 109.A O no hydrogen 2.953 N/A SER 113.A OG.B VAL 109.A O no hydrogen 2.561 N/A LYS 114.A N ALA 110.A O no hydrogen 2.781 N/A LYS 114.A NZ.B HIS 34.A O no hydrogen 3.330 N/A CYS 115.A N TRP 111.A O no hydrogen 2.888 N/A CYS 115.A SG HIS 34.A ND1 no hydrogen 3.686 N/A ARG 116.A N TRP 111.A O no hydrogen 2.688 N/A HIS 118.A N CYS 115.A O no hydrogen 3.147 N/A SER 121.A N ASP 119.A OD1 no hydrogen 3.082 N/A SER 121.A OG ASP 119.A OD1 no hydrogen 2.576 N/A SER 121.A OG ASP 119.A OD2 no hydrogen 2.705 N/A PHE 123.A N LEU 120.A O no hydrogen 2.925 N/A