Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ai4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A SG HIS 17.A NE2 no hydrogen 3.452 N/A CYS 4.A SG HIS 175.A ND1 no hydrogen 3.489 N/A ALA 5.A N MET 1.A O no hydrogen 2.878 N/A PHE 6.A N GLU 3.A O no hydrogen 3.253 N/A GLY 7.A N ASN 2.A O no hydrogen 3.086 N/A THR 8.A N ALA 5.A O no hydrogen 3.310 N/A THR 8.A OG1 ALA 5.A O no hydrogen 3.384 N/A LYS 9.A NZ ASN 2.A OD1 no hydrogen 2.654 N/A LYS 9.A NZ GLY 7.A O no hydrogen 2.880 N/A VAL 12.A N ASP 10.A OD1 no hydrogen 2.762 N/A TYR 13.A N ASP 10.A OD1 no hydrogen 3.223 N/A LEU 14.A N ASP 10.A O no hydrogen 2.884 N/A ASN 15.A N PRO 11.A O no hydrogen 2.861 N/A TYR 16.A N VAL 12.A O no hydrogen 3.235 N/A HIS 17.A N TYR 13.A O no hydrogen 2.942 N/A HIS 17.A ND1 ASP 18.A OD1 no hydrogen 2.797 N/A ASP 18.A N LEU 14.A O no hydrogen 2.739 N/A HIS 19.A N ASN 15.A O no hydrogen 2.857 N/A VAL 20.A N TYR 16.A O no hydrogen 3.095 N/A TRP 21.A N TYR 16.A O no hydrogen 2.852 N/A GLY 22.A N ALA 168.A O no hydrogen 3.037 N/A GLN 23.A N VAL 20.A O no hydrogen 3.009 N/A GLN 23.A NE2 SER 181.A O no hydrogen 3.010 N/A LEU 25.A N ALA 169.A O no hydrogen 2.927 N/A LYS 29.A NZ GLU 64.A OE2 no hydrogen 2.370 N/A ALA 30.A N ASP 27.A OD2 no hydrogen 2.866 N/A LEU 31.A N ASP 27.A O no hydrogen 2.997 N/A PHE 32.A N SER 28.A O no hydrogen 2.945 N/A LYS 33.A N LYS 29.A O no hydrogen 3.047 N/A LYS 33.A NZ GLU 57.A OE2 no hydrogen 2.724 N/A LEU 34.A N ALA 30.A O no hydrogen 3.017 N/A LEU 35.A N LEU 31.A O no hydrogen 2.956 N/A ALA 36.A N PHE 32.A O no hydrogen 2.830 N/A LEU 37.A N LYS 33.A O no hydrogen 2.886 N/A GLN 38.A N LEU 34.A O no hydrogen 2.868 N/A SER 39.A N LEU 35.A O no hydrogen 2.996 N/A SER 39.A OG ALA 36.A O no hydrogen 2.561 N/A GLN 40.A N LEU 37.A O no hydrogen 2.972 N/A GLN 40.A NE2 SER 39.A OG no hydrogen 3.121 N/A GLN 40.A NE2 LYS 91.A O no hydrogen 2.963 N/A HIS 41.A N GLN 38.A O no hydrogen 3.200 N/A LEU 44.A N HIS 41.A O no hydrogen 2.947 N/A SER 45.A OG THR 48.A OG1 no hydrogen 2.664 N/A THR 48.A N SER 45.A OG no hydrogen 3.291 N/A THR 48.A OG1 SER 45.A OG no hydrogen 2.664 N/A LEU 50.A N TRP 46.A O no hydrogen 2.879 N/A LYS 51.A N LEU 47.A O no hydrogen 2.904 N/A LYS 52.A N ILE 49.A O no hydrogen 3.052 N/A LYS 52.A NZ ASN 84.A OD1 no hydrogen 2.935 N/A LYS 53.A N LEU 50.A O no hydrogen 3.194 N/A TYR 56.A N LYS 52.A O no hydrogen 2.970 N/A GLU 57.A N LYS 53.A O no hydrogen 2.898 N/A GLU 58.A N GLU 54.A O no hydrogen 3.061 N/A ALA 59.A N ALA 55.A O no hydrogen 2.898 N/A PHE 60.A N TYR 56.A O no hydrogen 2.898 N/A ASP 62.A N GLU 57.A O no hydrogen 2.821 N/A PHE 63.A N PHE 60.A O no hydrogen 2.800 N/A GLU 64.A N TYR 61.A O no hydrogen 3.078 N/A LYS 67.A N GLU 64.A O no hydrogen 3.014 N/A VAL 68.A N GLU 64.A O no hydrogen 2.891 N/A ALA 69.A N PRO 65.A O no hydrogen 2.871 N/A GLN 70.A N LYS 67.A O no hydrogen 3.405 N/A MET 71.A N VAL 68.A O no hydrogen 3.058 N/A THR 72.A N ASP 75.A OD2 no hydrogen 2.853 N/A THR 72.A OG1 ASP 75.A OD2 no hydrogen 3.523 N/A ILE 76.A N THR 72.A O no hydrogen 3.182 N/A ASP 77.A N ALA 73.A O no hydrogen 2.804 N/A ARG 78.A N GLN 74.A O no hydrogen 3.219 N/A ARG 78.A NH1 ASP 75.A OD1 no hydrogen 3.094 N/A ARG 78.A NH2 ASP 75.A OD1 no hydrogen 3.036 N/A LEU 79.A N ASP 75.A O no hydrogen 2.853 N/A MET 80.A N ILE 76.A O no hydrogen 2.911 N/A THR 81.A N ARG 78.A O no hydrogen 3.114 N/A THR 81.A OG1 ARG 78.A O no hydrogen 3.484 N/A PHE 82.A N LEU 79.A O no hydrogen 3.065 N/A VAL 86.A N TYR 56.A OH no hydrogen 3.025 N/A HIS 87.A NE2 PHE 82.A O no hydrogen 2.453 N/A HIS 88.A N VAL 86.A O no hydrogen 3.008 N/A ARG 89.A NE GLU 93.A OE2 no hydrogen 2.950 N/A ARG 89.A NH1 ASP 77.A OD1 no hydrogen 2.842 N/A ARG 89.A NH2 ALA 73.A O no hydrogen 3.318 N/A ARG 89.A NH2 ASP 77.A OD1 no hydrogen 2.926 N/A LYS 91.A N HIS 88.A ND1 no hydrogen 3.155 N/A LYS 91.A NZ GLN 40.A O no hydrogen 2.786 N/A LYS 91.A NZ ALA 42.A O no hydrogen 2.661 N/A LEU 92.A N HIS 88.A O no hydrogen 3.097 N/A GLU 93.A N ARG 89.A O no hydrogen 2.968 N/A ALA 94.A N LYS 90.A O no hydrogen 3.056 N/A ILE 95.A N LEU 92.A O no hydrogen 3.272 N/A ASN 97.A N GLU 93.A O no hydrogen 3.061 N/A GLN 98.A N ALA 94.A O no hydrogen 2.793 N/A GLN 98.A NE2 SER 39.A OG no hydrogen 3.019 N/A GLN 98.A NE2 LYS 155.A O no hydrogen 2.944 N/A ALA 99.A N ILE 95.A O no hydrogen 3.027 N/A GLN 100.A N VAL 96.A O no hydrogen 3.038 N/A GLN 100.A NE2 ALA 69.A O no hydrogen 2.959 N/A GLY 101.A N ASN 97.A O no hydrogen 2.946 N/A TYR 102.A N GLN 98.A O no hydrogen 2.824 N/A LEU 103.A N ALA 99.A O no hydrogen 3.069 N/A LYS 104.A N GLN 100.A O no hydrogen 3.074 N/A ILE 105.A N GLY 101.A O no hydrogen 2.882 N/A GLU 106.A N TYR 102.A O no hydrogen 2.954 N/A GLN 107.A N LEU 103.A O no hydrogen 2.943 N/A ALA 108.A N LYS 104.A O no hydrogen 2.916 N/A TYR 109.A N ILE 105.A O no hydrogen 2.711 N/A GLY 110.A N ILE 105.A O no hydrogen 3.454 N/A PHE 112.A N GLU 106.A OE2 no hydrogen 2.873 N/A SER 113.A N SER 28.A OG no hydrogen 2.940 N/A SER 113.A OG TYR 26.A O no hydrogen 2.572 N/A LYS 114.A N SER 111.A OG no hydrogen 3.084 N/A PHE 115.A N SER 111.A O no hydrogen 2.986 N/A LEU 116.A N PHE 112.A O no hydrogen 3.027 N/A TRP 117.A N SER 113.A O no hydrogen 2.934 N/A TRP 117.A NE1 LEU 25.A O no hydrogen 2.904 N/A SER 118.A N LYS 114.A O no hydrogen 3.007 N/A SER 118.A OG PHE 115.A O no hydrogen 2.660 N/A TYR 119.A N LEU 116.A O no hydrogen 3.059 N/A TYR 119.A OH ASP 148.A OD2 no hydrogen 2.636 N/A VAL 120.A N TRP 117.A O no hydrogen 3.050 N/A ASN 121.A N SER 118.A O no hydrogen 3.149 N/A GLY 122.A N TRP 117.A O no hydrogen 2.830 N/A LYS 123.A N VAL 120.A O no hydrogen 3.335 N/A LYS 125.A N LEU 171.A O no hydrogen 2.856 N/A LEU 127.A N ASP 173.A O no hydrogen 3.005 N/A GLN 128.A N ASP 126.A OD1 no hydrogen 2.884 N/A GLU 130.A N ASP 134.A OD2 no hydrogen 3.069 N/A HIS 131.A N ASP 134.A OD2 no hydrogen 2.983 N/A ALA 132.A N GLU 3.A OE2 no hydrogen 2.908 N/A ASP 134.A N HIS 131.A O no hydrogen 2.961 N/A ARG 135.A N ALA 132.A O no hydrogen 3.272 N/A ARG 135.A NE ALA 174.A O no hydrogen 3.044 N/A ARG 135.A NH1 CYS 4.A O no hydrogen 2.996 N/A ARG 135.A NH2 CYS 4.A O no hydrogen 2.975 N/A ARG 135.A NH2 ALA 174.A O no hydrogen 3.019 N/A ILE 136.A N TYR 129.A OH no hydrogen 3.407 N/A ALA 142.A N ASP 139.A OD1 no hydrogen 2.767 N/A THR 143.A N ASP 139.A O no hydrogen 3.114 N/A THR 143.A OG1 ASP 139.A O no hydrogen 2.925 N/A GLN 144.A N ASP 140.A O no hydrogen 2.914 N/A GLN 144.A NE2 ASP 148.A OD1 no hydrogen 2.926 N/A LEU 145.A N THR 141.A O no hydrogen 2.879 N/A SER 146.A N ALA 142.A O no hydrogen 2.893 N/A SER 146.A OG LEU 157.A O no hydrogen 2.692 N/A LYS 147.A N THR 143.A O no hydrogen 3.039 N/A LYS 147.A NZ GLN 144.A OE1 no hydrogen 2.954 N/A ASP 148.A N GLN 144.A O no hydrogen 2.788 N/A LEU 149.A N LEU 145.A O no hydrogen 2.802 N/A LYS 150.A N SER 146.A O no hydrogen 2.930 N/A GLN 151.A N LYS 147.A O no hydrogen 3.274 N/A GLN 151.A N ASP 148.A O no hydrogen 3.138 N/A TYR 152.A N LEU 149.A O no hydrogen 2.906 N/A GLY 153.A N LYS 150.A O no hydrogen 3.023 N/A PHE 154.A N LEU 149.A O no hydrogen 3.286 N/A VAL 162.A N GLY 158.A O no hydrogen 2.819 N/A PHE 163.A N PRO 159.A O no hydrogen 2.887 N/A SER 164.A N VAL 160.A O no hydrogen 2.954 N/A SER 164.A OG.A VAL 160.A O no hydrogen 3.298 N/A SER 164.A OG.B GLN 38.A OE1 no hydrogen 2.767 N/A PHE 165.A N THR 161.A O no hydrogen 2.929 N/A LEU 166.A N VAL 162.A O no hydrogen 2.902 N/A GLU 167.A N PHE 163.A O no hydrogen 3.153 N/A ALA 168.A N SER 164.A O no hydrogen 2.897 N/A ALA 169.A N PHE 165.A O no hydrogen 2.846 N/A GLY 170.A N GLU 167.A O no hydrogen 3.392 N/A TYR 172.A N LEU 166.A O no hydrogen 3.005 N/A TYR 172.A OH ASP 139.A OD2 no hydrogen 2.478 N/A ASP 173.A N LYS 125.A O no hydrogen 2.890 N/A HIS 175.A N ASP 173.A OD1 no hydrogen 2.893 N/A HIS 175.A NE2 TRP 21.A O no hydrogen 2.705 N/A LYS 177.A N TYR 129.A O no hydrogen 2.879 N/A CYS 179.A N LEU 176.A O no hydrogen 2.925 N/A CYS 179.A SG HIS 17.A NE2 no hydrogen 3.435 N/A CYS 179.A SG HIS 175.A ND1 no hydrogen 3.753 N/A SER 181.A OG ASP 18.A O no hydrogen 3.294 N/A LYS 182.A N CYS 179.A O no hydrogen 3.076 N/A LYS 182.A NZ ASP 126.A OD1 no hydrogen 2.703 N/A LYS 182.A NZ ASP 173.A OD1 no hydrogen 3.369 N/A LYS 182.A NZ ASP 173.A OD2 no hydrogen 2.965 N/A LYS 182.A NZ HIS 175.A O no hydrogen 3.181 N/A HIS 185.A NE2 ASP 173.A OD2 no hydrogen 2.561 N/A