Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dcy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N GLY 220.A O no hydrogen 2.961 N/A SER 6.A OG.A PHE 217.A O no hydrogen 3.068 N/A ALA 7.A N PHE 217.A O no hydrogen 2.942 N/A ARG 8.A NH1 GLU 154.A OE1 no hydrogen 3.301 N/A ARG 8.A NH1 PRO 165.A O no hydrogen 2.786 N/A ARG 8.A NH2 GLU 154.A OE1 no hydrogen 3.478 N/A ARG 8.A NH2 GLU 154.A OE2 no hydrogen 2.894 N/A PHE 9.A N ILE 215.A O no hydrogen 3.006 N/A ALA 10.A N ALA 169.A O no hydrogen 2.995 N/A LEU 11.A N PHE 213.A O no hydrogen 2.845 N/A THR 12.A N VAL 171.A O no hydrogen 2.784 N/A VAL 13.A N SER 211.A O no hydrogen 2.816 N/A VAL 14.A N VAL 173.A O no hydrogen 2.816 N/A ARG 15.A N GLY 210.A O no hydrogen 3.183 N/A ARG 15.A NH1 THR 206.A O no hydrogen 2.771 N/A HIS 16.A N SER 175.A O no hydrogen 3.029 N/A HIS 16.A ND1 GLY 17.A O no hydrogen 2.658 N/A GLY 17.A N THR 69.A OG1 no hydrogen 2.882 N/A GLU 18.A N GLN 43.A OE1 no hydrogen 2.773 N/A ARG 20.A NE GLU 34.A OE2 no hydrogen 2.809 N/A ARG 20.A NH1 GLU 34.A OE1 no hydrogen 3.236 N/A ASN 22.A N THR 19.A OG1 no hydrogen 3.104 N/A LYS 23.A N THR 19.A O no hydrogen 3.135 N/A GLU 24.A N ARG 20.A O no hydrogen 3.198 N/A LYS 25.A N ASN 22.A O no hydrogen 3.203 N/A ILE 26.A N PHE 21.A O no hydrogen 2.885 N/A ILE 27.A N LYS 100.A O no hydrogen 2.842 N/A GLN 28.A NE2 THR 19.A OG1 no hydrogen 2.679 N/A GLY 29.A N GLU 98.A OE1 no hydrogen 2.686 N/A GLN 30.A N GLU 98.A OE2 no hydrogen 2.784 N/A GLN 30.A NE2 GLU 91.A O no hydrogen 2.906 N/A LEU 36.A N GLN 68.A OE1 no hydrogen 2.815 N/A SER 37.A N GLU 18.A O no hydrogen 3.010 N/A SER 37.A OG GLU 18.A O no hydrogen 3.216 N/A SER 37.A OG GLU 18.A OE1 no hydrogen 2.719 N/A GLY 40.A N SER 37.A OG no hydrogen 3.106 N/A PHE 41.A N SER 37.A O no hydrogen 2.905 N/A LYS 42.A N GLU 38.A O.A no hydrogen 2.982 N/A LYS 42.A N GLU 38.A O.B no hydrogen 2.985 N/A GLN 43.A N THR 39.A O no hydrogen 2.877 N/A ALA 44.A N GLY 40.A O no hydrogen 2.959 N/A ALA 45.A N PHE 41.A O no hydrogen 2.967 N/A ALA 46.A N LYS 42.A O no hydrogen 2.949 N/A ALA 47.A N GLN 43.A O no hydrogen 2.826 N/A GLY 48.A N ALA 44.A O no hydrogen 2.877 N/A ILE 49.A N ALA 45.A O no hydrogen 2.815 N/A PHE 50.A N ALA 46.A O no hydrogen 2.895 N/A LEU 51.A N ALA 47.A O no hydrogen 2.957 N/A ASN 52.A N ILE 49.A O no hydrogen 3.157 N/A ASN 52.A ND2 ILE 49.A O no hydrogen 2.531 N/A ASN 53.A ND2 GLU 159.A OE1 no hydrogen 3.250 N/A ASN 53.A ND2 GLU 159.A OE2 no hydrogen 3.345 N/A VAL 54.A N LEU 51.A O no hydrogen 3.045 N/A LYS 55.A N SER 156.A OG no hydrogen 3.068 N/A PHE 56.A N VAL 54.A O no hydrogen 3.162 N/A THR 57.A N SER 170.A O no hydrogen 2.746 N/A THR 57.A OG1 HIS 58.A ND1 no hydrogen 2.782 N/A THR 57.A OG1 SER 170.A O no hydrogen 3.129 N/A HIS 58.A N SER 170.A O no hydrogen 3.413 N/A HIS 58.A ND1 THR 57.A OG1 no hydrogen 2.782 N/A HIS 58.A NE2 GLU 146.A OE1 no hydrogen 2.636 N/A PHE 60.A N LEU 172.A O no hydrogen 2.889 N/A SER 61.A N LYS 84.A O no hydrogen 2.976 N/A SER 61.A OG SER 62.A O no hydrogen 2.815 N/A SER 62.A N VAL 174.A O no hydrogen 3.235 N/A SER 62.A OG THR 66.A OG1 no hydrogen 3.260 N/A SER 62.A OG HIS 176.A NE2 no hydrogen 2.836 N/A ARG 65.A NE HIS 16.A NE2 no hydrogen 3.529 N/A ARG 65.A NH1 GLY 29.A O no hydrogen 2.766 N/A THR 66.A OG1 SER 62.A O no hydrogen 3.091 N/A THR 66.A OG1 LEU 64.A O no hydrogen 2.852 N/A LYS 67.A N LEU 64.A O no hydrogen 2.994 N/A THR 69.A N ARG 65.A O no hydrogen 3.210 N/A THR 69.A OG1 ARG 65.A O no hydrogen 2.725 N/A GLY 71.A N GLN 68.A O no hydrogen 2.889 N/A ILE 72.A N THR 69.A O no hydrogen 2.915 N/A GLU 74.A N HIS 70.A O no hydrogen 2.826 N/A ARG 75.A N ILE 72.A O no hydrogen 3.294 N/A ARG 75.A NH2 GLY 71.A O no hydrogen 2.824 N/A SER 76.A N LEU 73.A O no hydrogen 2.995 N/A LYS 77.A N ASN 52.A O no hydrogen 2.753 N/A LYS 77.A NZ ASN 52.A OD1 no hydrogen 2.564 N/A CYS 79.A N SER 76.A OG no hydrogen 2.847 N/A CYS 79.A SG VAL 54.A O no hydrogen 3.970 N/A CYS 79.A SG PHE 56.A O no hydrogen 3.240 N/A LYS 84.A N ALA 59.A O no hydrogen 2.894 N/A ASP 86.A N SER 61.A O no hydrogen 2.948 N/A ARG 88.A N ASP 86.A OD1 no hydrogen 2.935 N/A ARG 88.A NE ASP 86.A OD1 no hydrogen 2.881 N/A ARG 88.A NE ASP 86.A OD2 no hydrogen 3.435 N/A ARG 88.A NH1 ASP 134.A OD1 no hydrogen 2.860 N/A ARG 88.A NH2 ASP 86.A OD2 no hydrogen 2.739 N/A LEU 89.A N ASP 86.A O no hydrogen 3.073 N/A ARG 90.A N SER 87.A O no hydrogen 3.122 N/A ARG 90.A NE.B ASP 63.A OD1.A no hydrogen 2.732 N/A ARG 90.A NE.B ASP 63.A OD1.B no hydrogen 2.795 N/A ARG 90.A NH1.B ASP 63.A OD1.B no hydrogen 3.526 N/A ARG 90.A NH1.B ASP 63.A OD2.A no hydrogen 2.492 N/A ARG 90.A NH1.B ASP 63.A OD2.B no hydrogen 2.679 N/A ARG 92.A N GLU 91.A OE1 no hydrogen 2.755 N/A ARG 92.A NE GLU 124.A O no hydrogen 2.744 N/A ARG 92.A NH1 PRO 116.A O no hydrogen 2.690 N/A ARG 92.A NH2 PRO 116.A O no hydrogen 3.084 N/A ARG 92.A NH2 THR 119.A OG1 no hydrogen 3.121 N/A ARG 92.A NH2 GLU 124.A O no hydrogen 3.064 N/A LYS 93.A N GLU 124.A OE1 no hydrogen 2.902 N/A TYR 94.A N GLU 98.A OE2 no hydrogen 2.893 N/A VAL 96.A N PRO 121.A O no hydrogen 2.925 N/A VAL 97.A N TYR 94.A O no hydrogen 3.076 N/A GLU 98.A N GLY 95.A O no hydrogen 3.058 N/A GLY 99.A N ILE 27.A O no hydrogen 2.916 N/A LYS 100.A N VAL 97.A O no hydrogen 2.959 N/A LEU 102.A N LYS 25.A O no hydrogen 3.124 N/A GLU 104.A N ALA 101.A O no hydrogen 2.904 N/A ARG 106.A N LEU 102.A O no hydrogen 3.041 N/A ALA 107.A N SER 103.A O no hydrogen 2.930 N/A LYS 109.A N ARG 106.A O no hydrogen 2.907 N/A ALA 110.A N ALA 107.A O no hydrogen 2.952 N/A ARG 112.A N LYS 109.A O no hydrogen 3.029 N/A GLU 113.A N ALA 108.A O no hydrogen 3.055 N/A PHE 118.A N GLU 114.A O no hydrogen 2.880 N/A THR 119.A OG1 VAL 117.A O no hydrogen 3.267 N/A THR 119.A OG1 GLU 124.A O no hydrogen 3.442 N/A GLY 123.A N PRO 120.A O no hydrogen 2.907 N/A GLU 124.A N LYS 93.A O no hydrogen 2.975 N/A THR 125.A N GLN 128.A OE1 no hydrogen 2.810 N/A THR 125.A OG1 GLN 128.A OE1 no hydrogen 3.290 N/A GLN 128.A N THR 125.A OG1 no hydrogen 2.944 N/A VAL 129.A N THR 125.A O no hydrogen 3.002 N/A LYS 130.A N LEU 126.A O no hydrogen 2.942 N/A LYS 130.A NZ ASP 184.A OD2 no hydrogen 2.901 N/A LYS 130.A NZ ASP 189.A OD2 no hydrogen 2.976 N/A ARG 131.A NE GLU 124.A OE2 no hydrogen 2.821 N/A ARG 131.A NH1 ARG 88.A O no hydrogen 2.836 N/A ARG 131.A NH1 ARG 90.A O no hydrogen 2.911 N/A ARG 131.A NH2 ARG 90.A O no hydrogen 3.152 N/A ARG 131.A NH2 GLU 124.A OE1 no hydrogen 2.836 N/A ARG 131.A NH2 GLU 124.A OE2 no hydrogen 3.552 N/A GLY 132.A N VAL 129.A O no hydrogen 3.129 N/A ILE 133.A N LYS 130.A O no hydrogen 2.797 N/A PHE 135.A N ARG 131.A O no hydrogen 2.992 N/A PHE 136.A N GLY 132.A O no hydrogen 2.829 N/A GLU 137.A N ILE 133.A O no hydrogen 2.847 N/A PHE 138.A N ASP 134.A O no hydrogen 2.983 N/A LEU 139.A N PHE 135.A O no hydrogen 2.812 N/A CYS 140.A N PHE 136.A O no hydrogen 2.897 N/A CYS 140.A SG PHE 136.A O no hydrogen 3.341 N/A GLN 141.A N GLU 137.A O no hydrogen 3.012 N/A LEU 142.A N PHE 138.A O no hydrogen 2.929 N/A ILE 143.A N LEU 139.A O no hydrogen 2.968 N/A LEU 144.A N CYS 140.A O no hydrogen 2.987 N/A LYS 145.A N GLN 141.A O no hydrogen 2.905 N/A GLU 146.A N LEU 142.A O no hydrogen 2.918 N/A ALA 147.A N ILE 143.A O no hydrogen 2.855 N/A ASP 148.A N LEU 144.A O no hydrogen 2.866 N/A GLN 149.A N LYS 145.A O no hydrogen 2.817 N/A THR 155.A N ASN 151.A O no hydrogen 2.794 N/A THR 155.A OG1 ASN 151.A O no hydrogen 3.360 N/A THR 155.A OG1 CYS 152.A O no hydrogen 3.168 N/A SER 156.A OG CYS 152.A O no hydrogen 3.566 N/A SER 156.A OG LEU 153.A O no hydrogen 3.061 N/A LEU 157.A N LEU 153.A O no hydrogen 3.408 N/A ALA 158.A N GLU 154.A O no hydrogen 2.819 N/A GLU 159.A N THR 155.A O no hydrogen 3.162 N/A ILE 160.A N LEU 157.A O no hydrogen 3.110 N/A PHE 161.A N LEU 157.A O no hydrogen 2.889 N/A LEU 163.A N PHE 161.A O no hydrogen 2.739 N/A ALA 168.A N ARG 8.A O no hydrogen 2.671 N/A SER 170.A N THR 57.A OG1 no hydrogen 2.760 N/A VAL 171.A N ALA 10.A O no hydrogen 2.892 N/A LEU 172.A N HIS 58.A O no hydrogen 2.859 N/A VAL 173.A N THR 12.A O no hydrogen 2.725 N/A VAL 174.A N PHE 60.A O no hydrogen 2.969 N/A SER 175.A N VAL 14.A O no hydrogen 2.991 N/A SER 175.A OG LEU 89.A O no hydrogen 2.822 N/A HIS 176.A N SER 175.A OG no hydrogen 2.641 N/A HIS 176.A NE2 SER 62.A OG no hydrogen 2.836 N/A ALA 178.A N GLU 91.A OE2 no hydrogen 2.926 N/A TYR 179.A N GLU 91.A OE1 no hydrogen 2.910 N/A TYR 179.A OH ARG 131.A O no hydrogen 3.206 N/A ARG 180.A NH1 THR 206.A OG1 no hydrogen 2.994 N/A SER 181.A N ALA 178.A O no hydrogen 3.126 N/A SER 181.A OG ALA 178.A O no hydrogen 3.543 N/A LEU 182.A N TYR 179.A O no hydrogen 2.910 N/A ASP 184.A N ARG 180.A O no hydrogen 2.814 N/A TYR 185.A N SER 181.A O no hydrogen 2.942 N/A PHE 186.A N LEU 182.A O no hydrogen 2.966 N/A LEU 187.A N PHE 183.A O no hydrogen 2.865 N/A THR 188.A N ASP 184.A O no hydrogen 2.728 N/A THR 188.A OG1 ASP 184.A OD1 no hydrogen 2.737 N/A ASP 189.A N TYR 185.A O no hydrogen 2.971 N/A LEU 190.A N TYR 185.A O no hydrogen 2.946 N/A LYS 191.A NZ THR 188.A O no hydrogen 3.439 N/A LYS 191.A NZ ASP 189.A O no hydrogen 3.164 N/A CYS 192.A N PHE 186.A O no hydrogen 2.906 N/A CYS 192.A SG.A SER 193.A O no hydrogen 3.822 N/A CYS 192.A SG.B SER 193.A O no hydrogen 3.026 N/A CYS 192.A SG.B VAL 227.A O no hydrogen 3.806 N/A SER 193.A N VAL 227.A O no hydrogen 3.064 N/A LEU 198.A N PRO 195.A O no hydrogen 3.124 N/A GLU 202.A N SER 199.A OG no hydrogen 3.004 N/A LEU 203.A N ARG 200.A O no hydrogen 3.231 N/A SER 204.A OG SER 201.A O no hydrogen 3.072 N/A ASN 208.A ND2 HIS 16.A O no hydrogen 2.958 N/A THR 209.A N HIS 16.A O no hydrogen 3.283 N/A THR 209.A OG1 ASN 208.A O no hydrogen 2.723 N/A THR 209.A OG1 HIS 236.A NE2 no hydrogen 2.794 N/A GLY 210.A N PRO 207.A O no hydrogen 2.981 N/A SER 211.A OG.B CYS 231.A O no hydrogen 2.998 N/A LEU 212.A N CYS 231.A O no hydrogen 3.039 N/A PHE 213.A N LEU 11.A O no hydrogen 2.959 N/A ILE 214.A N GLN 228.A O no hydrogen 2.828 N/A ILE 215.A N PHE 9.A O no hydrogen 2.842 N/A ASN 216.A N THR 226.A O no hydrogen 2.810 N/A PHE 217.A N ALA 7.A O no hydrogen 2.769 N/A GLY 220.A N PHE 4.A O no hydrogen 2.900 N/A THR 226.A N ASN 216.A O no hydrogen 2.844 N/A GLN 228.A N ILE 214.A O no hydrogen 2.912 N/A CYS 229.A N SER 193.A O no hydrogen 2.963 N/A CYS 229.A SG CYS 231.A O no hydrogen 3.533 N/A ILE 230.A N LEU 212.A O no hydrogen 2.696 N/A CYS 231.A N LEU 212.A O no hydrogen 3.367 N/A ASN 232.A ND2 GLU 202.A OE2 no hydrogen 3.142 N/A ASN 232.A ND2 VAL 205.A O no hydrogen 2.782 N/A HIS 236.A NE2 THR 209.A OG1 no hydrogen 2.794 N/A LEU 237.A N GLN 234.A O no hydrogen 2.932 N/A