Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6sim_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N.A THR 40.A OG1 no hydrogen 2.980 N/A LYS 1.A N.B THR 40.A OG1 no hydrogen 2.927 N/A LYS 1.A NZ.A GLU 7.A OE2 no hydrogen 2.920 N/A LYS 1.A NZ.B GLU 7.A OE2 no hydrogen 2.820 N/A PHE 3.A N PHE 38.A O no hydrogen 2.882 N/A GLY 4.A N GLU 7.A OE1 no hydrogen 3.077 N/A ARG 5.A NH1 TRP 123.A O no hydrogen 2.904 N/A ARG 5.A NH1 ARG 125.A O no hydrogen 3.081 N/A ARG 5.A NH2 ARG 125.A O no hydrogen 3.344 N/A LEU 8.A N GLY 4.A O no hydrogen 2.838 N/A ALA 9.A N ARG 5.A O no hydrogen 3.062 N/A ALA 10.A N CYS 6.A O no hydrogen 2.974 N/A ALA 11.A N GLU 7.A O no hydrogen 3.059 N/A MET 12.A N LEU 8.A O no hydrogen 2.796 N/A LYS 13.A N ALA 9.A O no hydrogen 2.915 N/A LYS 13.A NZ LEU 129.A O no hydrogen 2.454 N/A ARG 14.A N ALA 10.A O no hydrogen 2.924 N/A HIS 15.A N ALA 11.A O no hydrogen 3.116 N/A HIS 15.A ND1 ALA 11.A O no hydrogen 2.839 N/A GLY 16.A N LYS 13.A O no hydrogen 3.014 N/A LEU 17.A N MET 12.A O no hydrogen 2.969 N/A ASP 18.A N ASP 18.A OD1 no hydrogen 2.593 N/A TYR 20.A N LEU 17.A O no hydrogen 3.020 N/A GLY 22.A N ASN 19.A O no hydrogen 2.931 N/A TYR 23.A N TYR 20.A O no hydrogen 3.069 N/A ASN 27.A N SER 24.A O no hydrogen 2.920 N/A ASN 27.A ND2 SER 24.A OG no hydrogen 2.977 N/A TRP 28.A NE1 TYR 23.A O no hydrogen 3.131 N/A VAL 29.A N LEU 25.A O no hydrogen 3.011 N/A CYS 30.A N GLY 26.A O no hydrogen 2.880 N/A ALA 31.A N ASN 27.A O no hydrogen 2.985 N/A ALA 32.A N TRP 28.A O no hydrogen 2.993 N/A LYS 33.A N VAL 29.A O no hydrogen 2.852 N/A LYS 33.A NZ ASN 37.A OD1 no hydrogen 2.785 N/A PHE 34.A N CYS 30.A O no hydrogen 3.193 N/A GLU 35.A N ALA 31.A O no hydrogen 2.862 N/A SER 36.A N ALA 32.A O no hydrogen 2.975 N/A SER 36.A OG ALA 32.A O no hydrogen 3.052 N/A SER 36.A OG ILE 55.A O no hydrogen 2.825 N/A ASN 37.A N LYS 33.A O no hydrogen 2.835 N/A PHE 38.A N SER 36.A OG no hydrogen 3.142 N/A ASN 39.A N SER 36.A O no hydrogen 3.101 N/A THR 40.A N LYS 1.A O.A no hydrogen 2.842 N/A THR 40.A N LYS 1.A O.B no hydrogen 2.807 N/A THR 40.A OG1 LYS 1.A O.A no hydrogen 3.433 N/A THR 40.A OG1 LYS 1.A O.B no hydrogen 3.426 N/A THR 40.A OG1 LEU 84.A O no hydrogen 3.180 N/A THR 40.A OG1 SER 85.A O.A no hydrogen 3.431 N/A THR 40.A OG1 SER 85.A O.B no hydrogen 3.477 N/A GLN 41.A N ASN 39.A OD1 no hydrogen 2.934 N/A ALA 42.A N ASN 39.A O no hydrogen 3.264 N/A ASN 44.A N.A ASP 52.A O no hydrogen 3.090 N/A ASN 44.A N.B ASP 52.A O no hydrogen 3.089 N/A ASN 44.A ND2.A GLN 57.A OE1 no hydrogen 2.885 N/A ARG 45.A NE.A GLY 49.A O no hydrogen 2.979 N/A ARG 45.A NE.B THR 51.A OG1 no hydrogen 2.640 N/A ARG 45.A NH2.A GLY 49.A O no hydrogen 3.258 N/A ARG 45.A NH2.B THR 51.A OG1 no hydrogen 3.237 N/A ASN 46.A N SER 50.A O no hydrogen 2.842 N/A GLY 49.A N ASN 46.A O no hydrogen 2.940 N/A SER 50.A N ASP 48.A OD1 no hydrogen 2.869 N/A SER 50.A OG ASN 46.A OD1 no hydrogen 2.911 N/A SER 50.A OG ASP 48.A OD1 no hydrogen 2.620 N/A SER 50.A OG ASP 48.A OD2 no hydrogen 3.523 N/A SER 50.A OG ASN 59.A OD1 no hydrogen 3.137 N/A THR 51.A N SER 60.A OG no hydrogen 2.960 N/A ASP 52.A N ASN 44.A O.A no hydrogen 2.917 N/A ASP 52.A N ASN 44.A O.B no hydrogen 2.801 N/A TYR 53.A N ILE 58.A O no hydrogen 2.890 N/A TYR 53.A OH ASP 66.A OD2 no hydrogen 2.675 N/A GLY 54.A N ALA 42.A O no hydrogen 2.787 N/A GLN 57.A N GLY 54.A O no hydrogen 3.024 N/A GLN 57.A NE2 ALA 42.A O no hydrogen 3.018 N/A GLN 57.A NE2 ASP 52.A O no hydrogen 3.609 N/A GLN 57.A NE2 GLY 54.A O no hydrogen 2.965 N/A ILE 58.A N TYR 53.A O no hydrogen 2.988 N/A ASN 59.A ND2 ASN 46.A OD1 no hydrogen 2.385 N/A ASN 59.A ND2 SER 50.A OG no hydrogen 2.971 N/A ASN 59.A ND2 ASP 52.A OD1 no hydrogen 2.330 N/A SER 60.A N THR 51.A O no hydrogen 2.905 N/A SER 60.A OG THR 51.A O no hydrogen 3.476 N/A SER 60.A OG ASP 66.A OD2 no hydrogen 3.350 N/A SER 60.A OG THR 69.A OG1 no hydrogen 2.724 N/A ARG 61.A N ASN 59.A OD1 no hydrogen 2.965 N/A ARG 61.A NE ASP 48.A OD2 no hydrogen 3.275 N/A ARG 61.A NH1 PRO 70.A O no hydrogen 2.758 N/A TRP 63.A N ASN 59.A O no hydrogen 3.120 N/A ASN 65.A N ILE 78.A O no hydrogen 3.008 N/A GLY 67.A N ASN 65.A OD1 no hydrogen 3.193 N/A ARG 68.A N.A ASP 66.A OD1 no hydrogen 3.041 N/A ARG 68.A N.B ASP 66.A OD1 no hydrogen 3.023 N/A ARG 68.A NH2.A THR 51.A OG1 no hydrogen 2.842 N/A ARG 68.A NH2.B GLY 49.A O no hydrogen 3.199 N/A THR 69.A OG1 SER 60.A OG no hydrogen 2.724 N/A THR 69.A OG1 ASP 66.A OD1 no hydrogen 2.824 N/A THR 69.A OG1 ASP 66.A OD2 no hydrogen 3.313 N/A SER 72.A N THR 69.A O no hydrogen 3.175 N/A SER 72.A OG THR 69.A O no hydrogen 2.825 N/A ARG 73.A N ARG 61.A O no hydrogen 2.926 N/A LEU 75.A N TRP 62.A O no hydrogen 2.904 N/A CYS 76.A N TRP 63.A O no hydrogen 2.962 N/A CYS 76.A SG CYS 94.A O no hydrogen 3.767 N/A ASN 77.A N ASN 74.A O no hydrogen 2.964 N/A ILE 78.A N ASN 74.A OD1 no hydrogen 3.002 N/A CYS 80.A N ASN 65.A O no hydrogen 2.893 N/A ALA 82.A N PRO 79.A O no hydrogen 2.906 N/A LEU 83.A N CYS 80.A O no hydrogen 2.882 N/A LEU 84.A N SER 81.A O no hydrogen 3.056 N/A SER 85.A OG.A ASP 87.A O no hydrogen 3.489 N/A SER 85.A OG.B ALA 82.A O no hydrogen 2.987 N/A SER 85.A OG.B ASP 87.A O no hydrogen 2.705 N/A ASP 87.A N SER 85.A OG.A no hydrogen 2.980 N/A THR 89.A N ASP 87.A OD1 no hydrogen 2.881 N/A THR 89.A OG1 HIS 15.A NE2 no hydrogen 2.940 N/A THR 89.A OG1 ASP 87.A OD1 no hydrogen 2.554 N/A SER 91.A OG LEU 83.A O no hydrogen 3.402 N/A VAL 92.A N ILE 88.A O no hydrogen 2.928 N/A ASN 93.A N THR 89.A O no hydrogen 2.911 N/A CYS 94.A N ALA 90.A O no hydrogen 3.035 N/A ALA 95.A N SER 91.A O no hydrogen 2.856 N/A LYS 96.A N VAL 92.A O no hydrogen 2.946 N/A LYS 96.A NZ HIS 15.A O no hydrogen 2.874 N/A ILE 98.A N CYS 94.A O no hydrogen 2.973 N/A VAL 99.A N ALA 95.A O no hydrogen 2.862 N/A SER 100.A N LYS 97.A O no hydrogen 3.211 N/A SER 100.A OG LYS 96.A O no hydrogen 2.732 N/A ASP 101.A N ILE 98.A O no hydrogen 3.088 N/A MET 105.A N TYR 23.A OH no hydrogen 3.146 N/A ASN 106.A N ASN 103.A O no hydrogen 3.164 N/A ASN 106.A ND2 ASN 103.A O no hydrogen 3.005 N/A ALA 107.A N GLY 104.A O no hydrogen 3.368 N/A TRP 108.A N MET 105.A O no hydrogen 2.960 N/A TRP 108.A NE1 LEU 56.A O no hydrogen 2.789 N/A TRP 111.A NE1 ASN 27.A OD1 no hydrogen 2.944 N/A ARG 112.A N TRP 108.A O no hydrogen 3.133 N/A ASN 113.A N VAL 109.A O no hydrogen 2.902 N/A ARG 114.A N ALA 110.A O no hydrogen 2.835 N/A CYS 115.A N TRP 111.A O no hydrogen 2.867 N/A LYS 116.A N TRP 111.A O no hydrogen 2.803 N/A LYS 116.A NZ ASN 106.A OD1 no hydrogen 2.963 N/A THR 118.A N CYS 115.A O no hydrogen 2.978 N/A THR 118.A OG1 CYS 115.A O no hydrogen 2.739 N/A VAL 120.A N THR 118.A O no hydrogen 2.818 N/A ALA 122.A N ASP 119.A O no hydrogen 3.144 N/A TRP 123.A N VAL 120.A O no hydrogen 3.010 N/A ILE 124.A N GLN 121.A O no hydrogen 3.072 N/A ARG 125.A N ALA 122.A O no hydrogen 3.370 N/A ARG 125.A NE GLN 121.A OE1 no hydrogen 2.922 N/A ARG 125.A NH2 ASP 119.A OD2 no hydrogen 2.983 N/A ARG 125.A NH2 GLN 121.A OE1 no hydrogen 2.878 N/A CYS 127.A N ILE 124.A O no hydrogen 3.168 N/A CYS 127.A SG ILE 124.A O no hydrogen 3.370 N/A CYS 127.A SG ARG 125.A O no hydrogen 4.023 N/A