Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3spl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N SER 1.A OG no hydrogen 2.973 N/A ASP 4.A N SER 1.A O no hydrogen 3.059 N/A ASN 5.A N PHE 2.A O no hydrogen 3.119 N/A LYS 7.A N ASP 4.A O no hydrogen 3.094 N/A TYR 9.A N LEU 6.A O no hydrogen 3.105 N/A ILE 10.A N LYS 7.A O no hydrogen 3.170 N/A GLU 11.A N LYS 7.A O no hydrogen 2.993 N/A SER 12.A N VAL 8.A O no hydrogen 2.856 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.750 N/A SER 15.A N SER 12.A O no hydrogen 3.110 N/A SER 15.A OG SER 12.A O no hydrogen 3.490 N/A TYR 16.A N PRO 13.A O no hydrogen 3.243 N/A VAL 19.A N TYR 16.A O no hydrogen 3.047 N/A ILE 20.A N LEU 28.A O no hydrogen 2.882 N/A TYR 21.A N LEU 28.A O no hydrogen 3.395 N/A TYR 21.A OH ASP 23.A OD2 no hydrogen 2.836 N/A ASP 23.A N VAL 26.A O no hydrogen 3.112 N/A ASP 25.A N ASP 23.A OD1 no hydrogen 2.790 N/A VAL 26.A N ASP 23.A OD1 no hydrogen 2.881 N/A VAL 27.A N MET 43.A O no hydrogen 2.857 N/A LEU 28.A N TYR 21.A O no hydrogen 2.918 N/A VAL 29.A N LEU 41.A O no hydrogen 2.888 N/A ARG 30.A N ASN 18.A O no hydrogen 2.965 N/A ARG 30.A NE GLU 83.A OE1 no hydrogen 3.167 N/A ARG 30.A NE GLU 83.A OE2 no hydrogen 2.955 N/A ARG 30.A NH1 ASN 18.A OD1 no hydrogen 2.903 N/A ARG 30.A NH2 GLU 83.A OE1 no hydrogen 3.142 N/A ASP 31.A N HIS 39.A O no hydrogen 2.856 N/A PHE 33.A N ASP 31.A OD1 no hydrogen 2.769 N/A LYS 35.A N HIS 39.A ND1 no hydrogen 2.987 N/A LYS 35.A NZ PHE 33.A O no hydrogen 2.810 N/A SER 36.A OG LYS 35.A O no hydrogen 3.135 N/A SER 36.A OG THR 120.A O no hydrogen 2.799 N/A SER 36.A OG HIS 123.A ND1 no hydrogen 3.206 N/A LYS 37.A N ASP 122.A OD1 no hydrogen 2.805 N/A MET 38.A N THR 120.A OG1 no hydrogen 3.140 N/A HIS 39.A NE2 HIS 117.A ND1 no hydrogen 2.919 N/A LEU 40.A N ILE 118.A O no hydrogen 2.743 N/A LEU 41.A N VAL 29.A O no hydrogen 2.687 N/A LEU 42.A N LEU 116.A O no hydrogen 2.788 N/A MET 43.A N VAL 27.A O no hydrogen 2.788 N/A ARG 45.A N ASP 25.A O no hydrogen 2.815 N/A ARG 45.A NE ILE 10.A O no hydrogen 2.829 N/A ARG 45.A NH1 ASP 23.A O no hydrogen 2.860 N/A ARG 45.A NH2 ILE 10.A O no hydrogen 2.883 N/A ASP 46.A N THR 44.A OG1 no hydrogen 3.238 N/A HIS 48.A N ASP 46.A OD1 no hydrogen 2.784 N/A LEU 49.A N ASP 46.A OD1 no hydrogen 3.175 N/A THR 50.A N ASP 46.A O no hydrogen 2.989 N/A THR 50.A OG1 ASN 113.A OD1 no hydrogen 2.873 N/A HIS 51.A N HIS 48.A O no hydrogen 3.068 N/A VAL 52.A N LEU 49.A O no hydrogen 3.015 N/A LEU 55.A N HIS 53.A ND1 no hydrogen 3.118 N/A ILE 57.A N HIS 53.A O no hydrogen 2.891 N/A MET 58.A N PRO 54.A O no hydrogen 2.870 N/A MET 59.A N LEU 55.A O no hydrogen 2.981 N/A LYS 60.A N GLU 56.A O no hydrogen 2.853 N/A LYS 60.A NZ GLU 56.A OE1 no hydrogen 3.243 N/A HIS 61.A N ILE 57.A O no hydrogen 2.851 N/A ARG 62.A NH1 MET 58.A O no hydrogen 2.902 N/A VAL 65.A N HIS 61.A O no hydrogen 3.120 N/A GLU 66.A N ARG 62.A O no hydrogen 2.886 N/A LYS 67.A N SER 63.A O no hydrogen 2.923 N/A LYS 67.A NZ ASP 25.A OD2 no hydrogen 3.453 N/A LEU 68.A N LEU 64.A O no hydrogen 2.858 N/A VAL 69.A N VAL 65.A O no hydrogen 2.954 N/A SER 70.A N GLU 66.A O no hydrogen 2.889 N/A TYR 71.A N LYS 67.A O no hydrogen 3.059 N/A TYR 71.A OH ASP 23.A OD2 no hydrogen 2.579 N/A VAL 72.A N LEU 68.A O no hydrogen 3.088 N/A GLN 73.A N VAL 69.A O no hydrogen 2.952 N/A GLY 74.A N TYR 71.A O no hydrogen 3.296 N/A LEU 76.A N TYR 71.A O no hydrogen 2.871 N/A SER 77.A N GLY 74.A O no hydrogen 2.994 N/A SER 77.A OG GLY 74.A O no hydrogen 2.754 N/A ILE 80.A N LEU 76.A O no hydrogen 2.885 N/A PHE 81.A N SER 77.A O no hydrogen 2.963 N/A ASP 82.A N GLY 78.A O no hydrogen 3.039 N/A GLU 83.A N LEU 79.A O no hydrogen 3.035 N/A ALA 84.A N ILE 80.A O no hydrogen 2.854 N/A ARG 85.A N PHE 81.A O no hydrogen 2.894 N/A ARG 85.A NH1 LEU 92.A O no hydrogen 2.982 N/A ARG 85.A NH1 ASN 94.A OD1 no hydrogen 2.873 N/A ARG 85.A NH2 ASN 94.A OD1 no hydrogen 2.898 N/A ASN 86.A N ASP 82.A O no hydrogen 2.829 N/A CYS 87.A N GLU 83.A O no hydrogen 2.891 N/A CYS 87.A SG LYS 37.A O no hydrogen 3.378 N/A CYS 87.A SG GLU 83.A O no hydrogen 3.280 N/A CYS 87.A SG GLU 83.A OE2 no hydrogen 3.632 N/A LEU 88.A N ALA 84.A O no hydrogen 2.774 N/A GLN 91.A N SER 89.A OG no hydrogen 3.027 N/A LEU 92.A N SER 89.A O no hydrogen 3.219 N/A ALA 96.A N THR 93.A OG1 no hydrogen 3.170 N/A LEU 97.A N THR 93.A O no hydrogen 2.979 N/A ALA 98.A N ASN 94.A O no hydrogen 2.878 N/A ASN 99.A N GLU 95.A O no hydrogen 3.434 N/A TYR 100.A N LEU 97.A O no hydrogen 2.835 N/A LYS 102.A N MET 119.A O no hydrogen 2.822 N/A LYS 102.A NZ HIS 123.A NE2 no hydrogen 2.727 N/A LYS 102.A NZ PHE 137.A O no hydrogen 2.859 N/A GLY 104.A N HIS 117.A O no hydrogen 3.053 N/A PHE 105.A N VAL 143.A O no hydrogen 2.865 N/A ALA 107.A N PHE 141.A O no hydrogen 2.775 N/A ASN 112.A N ARG 3.A O no hydrogen 2.766 N/A ASN 112.A ND2 ASP 4.A OD1 no hydrogen 3.546 N/A LEU 114.A N THR 50.A O no hydrogen 2.727 N/A HIS 115.A ND1 ASN 113.A O no hydrogen 2.588 N/A LEU 116.A N LEU 42.A O no hydrogen 2.830 N/A HIS 117.A N GLY 104.A O no hydrogen 2.911 N/A HIS 117.A ND1 HIS 39.A NE2 no hydrogen 2.919 N/A ILE 118.A N LEU 40.A O no hydrogen 2.910 N/A MET 119.A N LYS 102.A O no hydrogen 3.046 N/A THR 120.A N MET 38.A O no hydrogen 3.075 N/A THR 120.A OG1 MET 38.A O no hydrogen 3.507 N/A THR 120.A OG1 ASP 122.A OD2 no hydrogen 2.609 N/A LEU 121.A N TYR 100.A O no hydrogen 3.012 N/A HIS 123.A N SER 36.A OG no hydrogen 2.982 N/A HIS 123.A ND1 LYS 35.A O no hydrogen 2.893 N/A VAL 124.A N ASP 122.A OD1 no hydrogen 2.852 N/A SER 125.A OG PRO 34.A O no hydrogen 2.542 N/A SER 127.A N SER 125.A OG no hydrogen 3.303 N/A LEU 128.A N SER 125.A O no hydrogen 2.982 N/A LYS 129.A N HIS 133.A ND1 no hydrogen 3.132 N/A HIS 133.A N ASN 130.A OD1 no hydrogen 2.951 N/A TYR 134.A N ASN 130.A O no hydrogen 3.432 N/A TYR 134.A OH LYS 167.A O no hydrogen 2.687 N/A ILE 135.A N SER 131.A O no hydrogen 2.926 N/A SER 136.A N ALA 132.A O no hydrogen 2.963 N/A SER 136.A OG HIS 106.A NE2 no hydrogen 3.079 N/A SER 136.A OG ALA 132.A O no hydrogen 3.434 N/A SER 136.A OG HIS 133.A O no hydrogen 2.730 N/A PHE 137.A N TYR 134.A O no hydrogen 3.225 N/A THR 138.A N ILE 135.A O no hydrogen 3.231 N/A THR 138.A OG1 TYR 134.A O no hydrogen 2.734 N/A SER 139.A OG ILE 135.A O no hydrogen 2.721 N/A PHE 141.A N SER 139.A OG no hydrogen 3.240 N/A PHE 142.A N SER 139.A O no hydrogen 2.876 N/A VAL 143.A N PHE 105.A O no hydrogen 2.624 N/A ILE 145.A N VAL 103.A O no hydrogen 2.930 N/A THR 147.A N LYS 144.A O no hydrogen 3.009 N/A THR 147.A OG1 LYS 144.A O no hydrogen 2.627 N/A THR 149.A OG1 MET 58.A O no hydrogen 3.448 N/A ASN 151.A N PRO 148.A O no hydrogen 2.850 N/A LEU 152.A N THR 149.A O no hydrogen 3.077 N/A THR 157.A N THR 154.A O no hydrogen 3.387 N/A THR 157.A OG1 THR 154.A O no hydrogen 2.835 N/A LEU 161.A N LEU 158.A O no hydrogen 3.057 N/A PHE 162.A N THR 159.A O no hydrogen 3.508 N/A GLN 163.A N SER 160.A O no hydrogen 3.211 N/A GLU 164.A N LEU 161.A O no hydrogen 3.203 N/A LEU 166.A N GLY 176.A O no hydrogen 2.601 N/A CYS 168.A N GLU 173.A O no hydrogen 2.822 N/A CYS 168.A SG HIS 185.A NE2 no hydrogen 3.539 N/A CYS 168.A SG GLU 189.A OE2 no hydrogen 3.607 N/A TRP 169.A N TYR 134.A OH no hydrogen 2.890 N/A ARG 170.A NH1 GLU 189.A OE1 no hydrogen 2.827 N/A CYS 171.A SG HIS 185.A NE2 no hydrogen 3.678 N/A GLY 172.A N CYS 168.A O no hydrogen 3.061 N/A PHE 175.A N LEU 166.A O no hydrogen 2.861 N/A ARG 177.A NH1 PHE 162.A O no hydrogen 2.912 N/A ARG 177.A NH1 GLU 164.A O no hydrogen 2.822 N/A ARG 177.A NH2 PHE 162.A O no hydrogen 3.448 N/A HIS 178.A N PHE 175.A O no hydrogen 2.811 N/A PHE 179.A N ARG 177.A O no hydrogen 2.986 N/A LEU 182.A N HIS 178.A O no hydrogen 3.078 N/A LYS 183.A N PHE 179.A O no hydrogen 2.825 N/A LYS 183.A NZ SER 125.A O no hydrogen 2.949 N/A LYS 183.A NZ LEU 128.A O no hydrogen 2.884 N/A ALA 184.A N THR 180.A O no hydrogen 3.185 N/A HIS 185.A N LYS 181.A O no hydrogen 3.048 N/A LEU 186.A N LEU 182.A O no hydrogen 2.804 N/A GLN 187.A N LYS 183.A O no hydrogen 3.247 N/A GLN 187.A NE2 GLN 187.A O no hydrogen 3.407 N/A GLN 187.A NE2 ASP 191.A OD1 no hydrogen 3.048 N/A GLU 188.A N ALA 184.A O no hydrogen 3.280 N/A GLU 189.A N HIS 185.A O no hydrogen 2.915 N/A TYR 190.A N LEU 186.A O no hydrogen 2.946 N/A ASP 191.A N GLN 187.A O no hydrogen 2.951 N/A ASP 192.A N GLU 188.A O no hydrogen 2.837 N/A TRP 193.A N GLU 189.A O no hydrogen 2.898 N/A LEU 194.A N TYR 190.A O no hydrogen 2.765 N/A ASP 195.A N ASP 191.A O no hydrogen 3.011 N/A LYS 196.A N ASP 192.A O no hydrogen 3.073 N/A SER 197.A N TRP 193.A O no hydrogen 2.876 N/A SER 197.A N LEU 194.A O no hydrogen 3.107 N/A SER 197.A OG TRP 193.A O no hydrogen 2.694 N/A VAL 198.A N LEU 194.A O no hydrogen 3.092 N/A SER 199.A N ASP 195.A O no hydrogen 3.334 N/A SER 199.A OG ASP 195.A O no hydrogen 2.725 N/A MET 200.A N SER 197.A O no hydrogen 3.182 N/A