Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1shl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N GLU 193.A O no hydrogen 2.895 N/A TYR 4.A OH ASP 136.A OD1 no hydrogen 2.533 N/A TYR 4.A OH THR 191.A OG1 no hydrogen 3.314 N/A ASN 7.A N ASN 5.A OD1 no hydrogen 3.170 N/A PHE 8.A N MET 6.A O no hydrogen 2.935 N/A LYS 10.A N ASN 77.A O no hydrogen 3.242 N/A LYS 13.A NZ GLU 73.A OE1 no hydrogen 2.991 N/A CYS 14.A N ASP 51.A O no hydrogen 3.147 N/A CYS 14.A SG ALA 82.A O no hydrogen 4.018 N/A ILE 15.A N ALA 82.A O no hydrogen 3.111 N/A ILE 16.A N ILE 53.A O no hydrogen 2.798 N/A ILE 17.A N ILE 84.A O no hydrogen 3.047 N/A ASN 18.A N TYR 55.A O no hydrogen 2.739 N/A ASN 18.A ND2 THR 34.A O no hydrogen 3.168 N/A ASN 19.A N LEU 86.A O no hydrogen 2.924 N/A ASN 19.A ND2 TYR 95.A O no hydrogen 2.897 N/A LYS 20.A N ASP 57.A OD1 no hydrogen 2.884 N/A LYS 20.A NZ ASP 35.A OD2 no hydrogen 3.393 N/A ASN 21.A N ASP 57.A OD1 no hydrogen 3.183 N/A ASN 21.A ND2 ASP 57.A OD2 no hydrogen 2.641 N/A ASP 23.A N LYS 97.A O no hydrogen 3.064 N/A THR 26.A N ASP 23.A O no hydrogen 2.969 N/A THR 26.A OG1 ASP 23.A O no hydrogen 2.919 N/A GLY 27.A N LYS 24.A O no hydrogen 2.882 N/A ARG 31.A N LYS 20.A O no hydrogen 3.214 N/A ARG 31.A NH1 ASN 19.A O no hydrogen 2.708 N/A ARG 31.A NH1 THR 34.A OG1 no hydrogen 2.819 N/A THR 34.A N ARG 31.A O no hydrogen 3.209 N/A ASP 37.A N GLY 33.A O no hydrogen 2.977 N/A ALA 38.A N THR 34.A O no hydrogen 2.878 N/A GLU 39.A N ASP 35.A O no hydrogen 2.928 N/A ALA 40.A N LYS 36.A O no hydrogen 3.068 N/A LEU 41.A N ASP 37.A O no hydrogen 2.890 N/A PHE 42.A N ALA 38.A O no hydrogen 2.894 N/A LYS 43.A N GLU 39.A O no hydrogen 3.115 N/A CYS 44.A N ALA 40.A O no hydrogen 3.109 N/A CYS 44.A SG CYS 154.A O no hydrogen 3.920 N/A PHE 45.A N LEU 41.A O no hydrogen 2.891 N/A ARG 46.A N PHE 42.A O no hydrogen 2.946 N/A ARG 46.A NH2 PHE 50.A O no hydrogen 2.742 N/A SER 47.A N LYS 43.A O no hydrogen 3.016 N/A LEU 48.A N CYS 44.A O no hydrogen 2.999 N/A GLY 49.A N PHE 45.A O no hydrogen 3.166 N/A PHE 50.A N PHE 45.A O no hydrogen 3.042 N/A ASP 51.A N GLY 12.A O no hydrogen 2.967 N/A ILE 53.A N CYS 14.A O no hydrogen 3.128 N/A TYR 55.A N ILE 16.A O no hydrogen 2.754 N/A ASP 57.A N ASN 18.A O no hydrogen 3.264 N/A CYS 58.A N ASN 19.A OD1 no hydrogen 2.850 N/A CYS 60.A N ASP 98.A OD1 no hydrogen 2.697 N/A CYS 60.A SG THR 101.A OG1 no hydrogen 3.205 N/A LYS 62.A N SER 59.A OG no hydrogen 3.324 N/A MET 63.A N SER 59.A O no hydrogen 2.990 N/A GLN 64.A N CYS 60.A O no hydrogen 3.124 N/A ASP 65.A N ALA 61.A O no hydrogen 2.747 N/A LEU 66.A N LYS 62.A O no hydrogen 2.762 N/A LEU 67.A N MET 63.A O no hydrogen 3.280 N/A LYS 68.A N GLN 64.A O no hydrogen 2.904 N/A LYS 68.A NZ GLU 72.A OE1 no hydrogen 3.234 N/A LYS 68.A NZ GLU 72.A OE2 no hydrogen 3.217 N/A LYS 69.A N ASP 65.A O no hydrogen 2.734 N/A LYS 69.A NZ ASP 65.A OD2 no hydrogen 3.257 N/A ALA 70.A N LEU 66.A O no hydrogen 2.868 N/A SER 71.A N LEU 67.A O no hydrogen 3.032 N/A SER 71.A OG LEU 67.A O no hydrogen 3.293 N/A SER 71.A OG LYS 68.A O no hydrogen 2.489 N/A GLU 72.A N LYS 68.A O no hydrogen 2.905 N/A GLU 73.A N LYS 69.A O no hydrogen 3.014 N/A GLU 73.A N ALA 70.A O no hydrogen 3.263 N/A HIS 75.A NE2 ALA 70.A O no hydrogen 2.766 N/A THR 76.A N ASP 74.A OD1 no hydrogen 3.142 N/A THR 76.A OG1 ASP 74.A OD1 no hydrogen 2.438 N/A THR 76.A OG1 ASP 74.A OD2 no hydrogen 3.211 N/A ALA 78.A N HIS 75.A O no hydrogen 3.241 N/A ALA 79.A N LYS 10.A O no hydrogen 3.087 N/A CYS 80.A N LEU 11.A O no hydrogen 2.801 N/A CYS 80.A SG LEU 11.A O no hydrogen 3.531 N/A PHE 81.A N PRO 122.A O no hydrogen 3.083 N/A ALA 82.A N LYS 13.A O no hydrogen 3.040 N/A CYS 83.A N LEU 124.A O no hydrogen 2.696 N/A ILE 84.A N ILE 15.A O no hydrogen 2.951 N/A LEU 85.A N PHE 126.A O no hydrogen 2.755 N/A LEU 86.A N ILE 17.A O no hydrogen 2.924 N/A SER 87.A N GLN 128.A O no hydrogen 3.268 N/A SER 87.A OG TYR 95.A O no hydrogen 2.638 N/A HIS 88.A NE2 GLY 29.A O no hydrogen 3.181 N/A GLY 89.A N CYS 130.A O no hydrogen 2.922 N/A GLU 90.A N VAL 93.A O no hydrogen 3.315 N/A ILE 94.A N THR 101.A O no hydrogen 2.648 N/A TYR 95.A N HIS 88.A O no hydrogen 3.059 N/A TYR 95.A OH GLU 90.A OE2 no hydrogen 2.921 N/A LYS 97.A N CYS 58.A O no hydrogen 2.794 N/A THR 101.A N ILE 94.A O no hydrogen 2.724 N/A ILE 103.A N ASN 92.A O no hydrogen 2.937 N/A ASP 105.A N PRO 102.A O no hydrogen 3.111 N/A LEU 106.A N ILE 103.A O no hydrogen 3.037 N/A THR 107.A N LYS 104.A O no hydrogen 3.011 N/A THR 107.A OG1 LYS 104.A O no hydrogen 3.002 N/A ALA 108.A N LYS 104.A O no hydrogen 2.889 N/A HIS 109.A NE2 GLN 64.A OE1 no hydrogen 3.240 N/A PHE 110.A N THR 107.A O no hydrogen 2.940 N/A ARG 111.A N ALA 108.A O no hydrogen 3.466 N/A GLY 112.A N GLU 134.A OE1 no hydrogen 2.561 N/A CYS 115.A SG SER 71.A O no hydrogen 3.059 N/A LEU 118.A N CYS 115.A O no hydrogen 2.759 N/A LYS 121.A N LEU 118.A O no hydrogen 2.993 N/A LYS 121.A NZ HIS 75.A O no hydrogen 3.023 N/A LYS 121.A NZ THR 76.A O no hydrogen 3.555 N/A LYS 121.A NZ ALA 78.A O no hydrogen 2.871 N/A LYS 121.A NZ THR 117.A O no hydrogen 3.313 N/A LYS 123.A N ASP 136.A O no hydrogen 2.803 N/A LYS 123.A NZ LEU 118.A O no hydrogen 2.828 N/A LYS 123.A NZ LYS 121.A O no hydrogen 3.233 N/A LEU 124.A N PHE 81.A O no hydrogen 2.719 N/A PHE 125.A N LEU 138.A O no hydrogen 2.826 N/A PHE 126.A N CYS 83.A O no hydrogen 2.794 N/A ILE 127.A N ALA 140.A O no hydrogen 2.850 N/A GLN 128.A N LEU 85.A O no hydrogen 2.809 N/A CYS 130.A SG SER 87.A O no hydrogen 3.564 N/A ASP 136.A N MET 189.A O no hydrogen 2.956 N/A PHE 137.A N GLU 134.A O no hydrogen 3.445 N/A LEU 138.A N LYS 123.A O no hydrogen 3.065 N/A PHE 139.A N VAL 187.A O no hydrogen 2.878 N/A ALA 140.A N PHE 125.A O no hydrogen 2.851 N/A TYR 141.A N CYS 185.A O no hydrogen 3.351 N/A SER 142.A N ILE 127.A O no hydrogen 3.019 N/A SER 147.A N ASP 37.A OD2 no hydrogen 3.416 N/A SER 147.A OG ASP 37.A OD2 no hydrogen 3.084 N/A SER 147.A OG GLN 128.A OE1 no hydrogen 2.647 N/A GLN 151.A N SER 147.A O no hydrogen 2.961 N/A GLN 151.A NE2 GLY 146.A O no hydrogen 3.304 N/A ALA 152.A N TRP 148.A O no hydrogen 2.980 N/A LEU 153.A N PHE 149.A O no hydrogen 2.859 N/A CYS 154.A N VAL 150.A O no hydrogen 2.836 N/A SER 155.A N GLN 151.A O no hydrogen 3.168 N/A ILE 156.A N ALA 152.A O no hydrogen 2.992 N/A LEU 157.A N LEU 153.A O no hydrogen 3.121 N/A GLU 158.A N CYS 154.A O no hydrogen 2.839 N/A GLU 159.A N ILE 156.A O no hydrogen 3.200 N/A HIS 160.A N ILE 156.A O no hydrogen 2.708 N/A HIS 160.A ND1 ASP 163.A OD2 no hydrogen 2.702 N/A GLY 161.A N LEU 157.A O no hydrogen 2.895 N/A LYS 162.A NZ SER 47.A O no hydrogen 3.096 N/A ASP 163.A N HIS 160.A O no hydrogen 2.970 N/A LEU 164.A N HIS 160.A O no hydrogen 2.993 N/A GLU 165.A N GLN 168.A OE1 no hydrogen 3.216 N/A ILE 166.A N LEU 194.A O no hydrogen 2.846 N/A MET 167.A N GLU 165.A OE1 no hydrogen 2.869 N/A GLN 168.A N GLU 165.A O no hydrogen 2.798 N/A ILE 169.A N GLU 165.A O no hydrogen 3.108 N/A LEU 170.A N ILE 166.A O no hydrogen 2.981 N/A THR 171.A N MET 167.A O no hydrogen 2.978 N/A THR 171.A OG1 MET 167.A O no hydrogen 2.636 N/A ARG 172.A N GLN 168.A O no hydrogen 3.146 N/A VAL 173.A N ILE 169.A O no hydrogen 2.919 N/A ASN 174.A N LEU 170.A O no hydrogen 2.827 N/A ASP 175.A N THR 171.A O no hydrogen 2.995 N/A ARG 176.A N ARG 172.A O no hydrogen 2.915 N/A ARG 176.A NH2 SER 155.A OG no hydrogen 3.342 N/A VAL 177.A N VAL 173.A O no hydrogen 3.077 N/A ALA 178.A N ASN 174.A O no hydrogen 3.064 N/A ARG 179.A N ASP 175.A O no hydrogen 2.950 N/A HIS 180.A N VAL 177.A O no hydrogen 3.010 N/A PHE 181.A N ALA 178.A O no hydrogen 3.312 N/A CYS 185.A N TYR 141.A O no hydrogen 2.865 N/A CYS 185.A SG TYR 141.A O no hydrogen 3.598 N/A VAL 187.A N PHE 139.A O no hydrogen 2.928 N/A MET 189.A N PHE 137.A O no hydrogen 3.036 N/A LEU 190.A N SER 188.A OG no hydrogen 3.279 N/A THR 191.A N TYR 4.A OH no hydrogen 2.854 N/A THR 191.A OG1 TYR 4.A OH no hydrogen 3.314 N/A THR 191.A OG1 ASP 136.A OD1 no hydrogen 2.673 N/A GLU 193.A N TYR 2.A O no hydrogen 2.925 N/A LEU 194.A N GLU 165.A OE2 no hydrogen 2.883 N/A SER 197.A OG LYS 162.A O no hydrogen 2.982 N/A