Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2cki_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLY 59.A O no hydrogen 2.954 N/A LYS 5.A NZ ILE 3.A O no hydrogen 3.415 N/A ILE 6.A N GLU 61.A O no hydrogen 2.818 N/A VAL 8.A N PHE 63.A O no hydrogen 2.767 N/A VAL 9.A N LEU 110.A O no hydrogen 2.985 N/A VAL 10.A N GLY 76.A O no hydrogen 2.983 N/A HIS 11.A N ILE 112.A O no hydrogen 2.741 N/A HIS 11.A ND1 THR 78.A OG1 no hydrogen 2.741 N/A HIS 11.A NE2 ASN 111.A OD1 no hydrogen 2.762 N/A VAL 12.A N THR 78.A O no hydrogen 2.809 N/A VAL 13.A N VAL 114.A O no hydrogen 2.900 N/A TRP 14.A N THR 80.A O no hydrogen 2.944 N/A ASN 15.A N GLU 19.A OE2 no hydrogen 2.762 N/A ASN 15.A ND2 VAL 84.A O no hydrogen 3.089 N/A GLU 19.A N GLU 16.A O no hydrogen 2.908 N/A ASN 20.A N GLU 17.A O no hydrogen 2.923 N/A GLN 25.A N SER 22.A OG no hydrogen 2.867 N/A GLN 25.A NE2 PHE 149.A O no hydrogen 2.856 N/A GLN 25.A NE2 THR 154.A OG1 no hydrogen 3.104 N/A ILE 26.A N SER 22.A O no hydrogen 3.079 N/A GLN 27.A N ASP 23.A O no hydrogen 2.838 N/A GLN 27.A NE2 ASP 31.A OD1 no hydrogen 2.962 N/A SER 28.A N ALA 24.A O no hydrogen 2.862 N/A SER 28.A OG GLN 25.A O no hydrogen 2.607 N/A GLN 29.A N GLN 25.A O no hydrogen 3.316 N/A GLN 29.A NE2 GLN 29.A O no hydrogen 3.096 N/A GLN 29.A NE2 GLY 162.A O no hydrogen 2.857 N/A ILE 30.A N ILE 26.A O no hydrogen 3.259 N/A ASP 31.A N GLN 27.A O no hydrogen 2.986 N/A ILE 32.A N SER 28.A O no hydrogen 3.182 N/A LEU 33.A N GLN 29.A O no hydrogen 3.033 N/A ASN 34.A N ILE 30.A O no hydrogen 3.002 N/A ASN 34.A ND2 PHE 62.A O no hydrogen 2.983 N/A LYS 35.A N ASP 31.A O no hydrogen 3.247 N/A LYS 35.A N ILE 32.A O no hydrogen 2.945 N/A ASP 36.A N ILE 32.A O no hydrogen 2.840 N/A PHE 37.A N LEU 33.A O no hydrogen 2.986 N/A ARG 38.A N LYS 35.A O no hydrogen 3.094 N/A ARG 38.A NE ASP 57.A OD1 no hydrogen 3.512 N/A ARG 38.A NE ASP 57.A OD2 no hydrogen 2.815 N/A ARG 38.A NH1 GLU 61.A OE2 no hydrogen 2.852 N/A ARG 38.A NH2 ASP 57.A OD1 no hydrogen 3.031 N/A LYS 39.A NZ ILE 55.A O no hydrogen 3.336 N/A LEU 40.A N LYS 35.A O no hydrogen 2.868 N/A ASN 41.A ND2 ASP 43.A OD1 no hydrogen 2.810 N/A ASN 41.A ND2 VAL 234.A O no hydrogen 2.918 N/A VAL 44.A N ASN 41.A O no hydrogen 3.179 N/A SER 45.A N SER 42.A O no hydrogen 3.195 N/A SER 45.A OG SER 42.A O no hydrogen 3.205 N/A GLN 46.A N ASP 43.A O no hydrogen 2.933 N/A GLN 46.A NE2 LYS 232.A O no hydrogen 2.939 N/A VAL 47.A N VAL 44.A O no hydrogen 3.082 N/A TRP 51.A N PRO 48.A O no hydrogen 2.901 N/A SER 52.A N SER 49.A O no hydrogen 3.133 N/A SER 52.A OG SER 49.A O no hydrogen 3.164 N/A LEU 54.A N TRP 51.A O no hydrogen 2.878 N/A ILE 55.A N SER 52.A O no hydrogen 3.292 N/A ALA 56.A N PHE 235.A O no hydrogen 2.847 N/A GLY 59.A N ASP 57.A OD2 no hydrogen 2.966 N/A ILE 60.A N PHE 37.A O no hydrogen 3.521 N/A GLU 61.A N VAL 4.A O no hydrogen 2.870 N/A PHE 62.A N ASN 34.A OD1 no hydrogen 2.699 N/A PHE 63.A N ILE 6.A O no hydrogen 3.093 N/A ALA 65.A N VAL 8.A O no hydrogen 2.855 N/A ASP 68.A N ASN 72.A O no hydrogen 2.712 N/A ASN 70.A N ASP 68.A OD2 no hydrogen 2.914 N/A GLY 71.A N ASP 68.A O no hydrogen 2.900 N/A ASN 72.A N ASP 68.A OD2 no hydrogen 2.920 N/A ASN 72.A ND2 ASP 68.A OD1 no hydrogen 3.466 N/A ASN 72.A ND2 ASP 68.A OD2 no hydrogen 3.265 N/A THR 74.A N THR 66.A O no hydrogen 3.158 N/A GLY 76.A N THR 74.A OG1 no hydrogen 2.968 N/A ILE 77.A N THR 75.A OG1 no hydrogen 3.101 N/A THR 78.A N VAL 10.A O no hydrogen 2.828 N/A THR 78.A OG1 HIS 11.A ND1 no hydrogen 2.741 N/A ARG 79.A NH1 ILE 21.A O no hydrogen 2.955 N/A ARG 79.A NH1 ASP 23.A OD1 no hydrogen 2.876 N/A ARG 79.A NH2 ASN 20.A OD1 no hydrogen 2.809 N/A ARG 79.A NH2 ILE 21.A O no hydrogen 2.685 N/A THR 80.A N VAL 12.A O no hydrogen 2.886 N/A THR 80.A OG1 GLU 101.A OE1 no hydrogen 2.587 N/A THR 82.A N TRP 14.A O no hydrogen 2.780 N/A THR 82.A OG1 GLY 99.A O no hydrogen 2.692 N/A VAL 84.A N THR 82.A OG1 no hydrogen 3.142 N/A PHE 87.A N VAL 117.A O no hydrogen 3.009 N/A THR 88.A N GLU 92.A OE1 no hydrogen 2.881 N/A THR 88.A OG1 GLU 92.A OE1 no hydrogen 3.203 N/A THR 88.A OG1 GLU 92.A OE2 no hydrogen 2.594 N/A THR 89.A N LYS 119.A O no hydrogen 3.253 N/A SER 90.A N THR 88.A OG1 no hydrogen 3.104 N/A SER 90.A OG.B THR 88.A OG1 no hydrogen 2.852 N/A ASP 91.A N THR 88.A O no hydrogen 3.292 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.763 N/A LYS 94.A N ASP 91.A O no hydrogen 3.006 N/A LYS 94.A NZ ASP 91.A OD1 no hydrogen 2.892 N/A LYS 94.A NZ THR 139.A O no hydrogen 2.804 N/A PHE 95.A N GLU 92.A O no hydrogen 3.482 N/A ALA 96.A N ASP 102.A OD1 no hydrogen 2.954 N/A SER 98.A N PHE 95.A O no hydrogen 3.223 N/A SER 98.A OG GLU 92.A O no hydrogen 2.726 N/A SER 98.A OG PHE 95.A O no hydrogen 3.297 N/A GLY 99.A N ALA 96.A O no hydrogen 3.057 N/A GLY 100.A N PHE 95.A O no hydrogen 2.902 N/A GLU 101.A N VAL 93.A O no hydrogen 2.943 N/A TRP 104.A N ASN 111.A OD1 no hydrogen 2.848 N/A ARG 108.A N PRO 105.A O no hydrogen 3.022 N/A ARG 108.A NH1 PRO 69.A O no hydrogen 2.954 N/A ARG 108.A NH2 PRO 69.A O no hydrogen 2.971 N/A TYR 109.A N PRO 105.A O no hydrogen 3.108 N/A TYR 109.A OH LYS 67.A O no hydrogen 2.713 N/A LEU 110.A N PRO 7.A O no hydrogen 2.782 N/A ASN 111.A ND2 TRP 104.A O no hydrogen 2.904 N/A ASN 111.A ND2 ASP 140.A O no hydrogen 3.652 N/A ILE 112.A N VAL 9.A O no hydrogen 2.881 N/A TRP 113.A N VAL 142.A O no hydrogen 2.875 N/A TRP 113.A NE1 GLU 101.A O no hydrogen 2.804 N/A VAL 114.A N HIS 11.A O no hydrogen 2.882 N/A CYS 115.A N ILE 144.A O no hydrogen 3.332 N/A CYS 115.A SG VAL 117.A O no hydrogen 3.781 N/A HIS 116.A ND1 ASP 146.A OD1 no hydrogen 2.800 N/A LYS 119.A N PHE 87.A O no hydrogen 2.888 N/A SER 120.A N GLN 124.A O no hydrogen 2.764 N/A ILE 122.A N SER 120.A OG no hydrogen 3.383 N/A GLY 123.A N SER 120.A O no hydrogen 2.976 N/A GLN 124.A N SER 120.A OG no hydrogen 3.217 N/A ILE 126.A N LEU 118.A O no hydrogen 3.000 N/A TYR 129.A N VAL 143.A O no hydrogen 2.913 N/A TYR 129.A OH ASP 91.A OD1 no hydrogen 2.646 N/A GLN 131.A N GLY 141.A O no hydrogen 3.079 N/A GLN 131.A NE2 PRO 136.A O no hydrogen 2.931 N/A GLU 138.A N GLU 138.A OE1 no hydrogen 2.719 N/A THR 139.A N PRO 136.A O no hydrogen 3.258 N/A THR 139.A OG1 GLN 131.A OE1 no hydrogen 2.597 N/A ASP 140.A N ALA 137.A O no hydrogen 3.195 N/A VAL 142.A N ASN 111.A O no hydrogen 2.990 N/A VAL 143.A N TYR 129.A O no hydrogen 2.875 N/A ILE 144.A N TRP 113.A O no hydrogen 2.910 N/A VAL 145.A N LEU 127.A O no hydrogen 2.913 N/A ASP 146.A N CYS 115.A O no hydrogen 2.882 N/A ALA 148.A N VAL 145.A O no hydrogen 2.893 N/A PHE 149.A N ASP 146.A O no hydrogen 3.140 N/A GLY 150.A N GLN 29.A OE1 no hydrogen 2.827 N/A THR 151.A N SER 28.A OG no hydrogen 2.858 N/A THR 154.A N GLN 25.A OE1 no hydrogen 2.885 N/A THR 154.A OG1 ASP 146.A O no hydrogen 3.284 N/A THR 154.A OG1 ASP 146.A OD2 no hydrogen 2.589 N/A ALA 155.A N THR 152.A O no hydrogen 3.331 N/A LEU 156.A N ALA 147.A O no hydrogen 3.031 N/A PHE 159.A N LEU 156.A O no hydrogen 2.931 N/A LYS 161.A N ASP 231.A OD2 no hydrogen 3.098 N/A ARG 163.A N ASP 231.A OD2 no hydrogen 3.182 N/A ARG 163.A NE ASP 36.A OD1 no hydrogen 3.443 N/A ARG 163.A NE ASP 36.A OD2 no hydrogen 2.797 N/A ARG 163.A NH1 ASP 36.A OD1 no hydrogen 3.098 N/A ARG 163.A NH1 ASP 43.A OD1 no hydrogen 2.914 N/A ARG 163.A NH1 ASP 43.A OD2 no hydrogen 3.305 N/A ARG 163.A NH2 ASP 43.A OD2 no hydrogen 2.956 N/A ARG 163.A NH2 ASP 231.A O no hydrogen 2.975 N/A THR 166.A OG1 ASP 36.A OD2 no hydrogen 2.819 N/A THR 166.A OG1 GLY 162.A O no hydrogen 3.565 N/A HIS 167.A N ARG 163.A O no hydrogen 2.916 N/A HIS 167.A ND1 TYR 226.A O no hydrogen 2.713 N/A GLU 168.A N THR 164.A O no hydrogen 2.896 N/A ILE 169.A N ALA 165.A O no hydrogen 2.810 N/A GLY 170.A N THR 166.A O no hydrogen 2.956 N/A HIS 171.A N HIS 167.A O no hydrogen 3.229 N/A HIS 171.A ND1 LEU 175.A O no hydrogen 2.840 N/A TRP 172.A N GLU 168.A O no hydrogen 2.929 N/A TRP 172.A NE1 ASP 140.A OD2 no hydrogen 2.802 N/A LEU 173.A N ILE 169.A O no hydrogen 2.972 N/A LEU 173.A N GLY 170.A O no hydrogen 3.131 N/A ASN 174.A N HIS 171.A O no hydrogen 2.829 N/A LEU 175.A N GLY 170.A O no hydrogen 2.914 N/A HIS 177.A ND1 ASP 181.A OD1 no hydrogen 2.613 N/A GLY 180.A N HIS 177.A O no hydrogen 3.082 N/A LEU 183.A N GLU 186.A OE1 no hydrogen 2.914 N/A GLU 186.A N LEU 183.A O no hydrogen 2.989 N/A CYS 189.A N ASP 187.A OD2 no hydrogen 2.780 N/A SER 190.A N ASP 187.A O no hydrogen 3.117 N/A SER 190.A OG ASP 187.A O no hydrogen 2.677 N/A ARG 191.A N GLU 182.A OE1 no hydrogen 2.878 N/A ARG 191.A NE GLU 186.A OE1 no hydrogen 2.878 N/A ARG 191.A NE GLU 186.A OE2 no hydrogen 3.241 N/A ARG 191.A NH2 GLU 186.A OE2 no hydrogen 2.971 N/A GLU 194.A N SER 192.A OG no hydrogen 2.803 N/A VAL 195.A N ASP 193.A OD2 no hydrogen 3.192 N/A THR 198.A OG1 ASP 193.A OD1 no hydrogen 2.679 N/A THR 198.A OG1 ASP 193.A OD2 no hydrogen 2.991 N/A THR 198.A OG1 VAL 195.A O no hydrogen 2.945 N/A ASN 200.A ND2 CYS 189.A O no hydrogen 3.255 N/A GLN 201.A NE2 ASP 203.A O no hydrogen 2.951 N/A GLN 201.A NE2 ASP 227.A OD1 no hydrogen 3.082 N/A GLN 201.A NE2 ASP 227.A OD2 no hydrogen 3.570 N/A ALA 202.A N SER 215.A OG no hydrogen 2.942 N/A ASN 205.A N ASP 227.A OD2 no hydrogen 2.800 N/A ASN 205.A ND2 ASP 223.A OD1 no hydrogen 3.166 N/A ASN 205.A ND2 ASP 227.A OD1 no hydrogen 3.010 N/A HIS 213.A ND1 ASP 223.A OD1 no hydrogen 3.045 N/A SER 215.A N ASN 218.A OD1 no hydrogen 2.987 N/A SER 215.A OG ASP 223.A OD1 no hydrogen 3.393 N/A SER 215.A OG ASP 223.A OD2 no hydrogen 2.596 N/A CYS 216.A SG PRO 188.A O no hydrogen 4.028 N/A ASN 218.A N SER 215.A O no hydrogen 2.935 N/A ASN 218.A ND2 ASN 200.A O no hydrogen 2.824 N/A ASN 218.A ND2 ASP 223.A OD2 no hydrogen 2.826 N/A GLY 222.A N ASN 218.A O no hydrogen 3.135 N/A ASP 223.A N HIS 213.A O no hydrogen 2.709 N/A ASN 225.A ND2 GLN 239.A OE1 no hydrogen 2.811 N/A TYR 228.A N ASP 227.A OD2 no hydrogen 2.796 N/A ASP 230.A N GLY 207.A O no hydrogen 2.905 N/A ASP 231.A N PRO 158.A O no hydrogen 3.313 N/A CYS 233.A N ASP 230.A O no hydrogen 2.899 N/A CYS 233.A SG.B GLY 207.A O no hydrogen 3.896 N/A THR 236.A N GLN 239.A OE1 no hydrogen 2.892 N/A THR 236.A OG1 ASP 197.A OD1 no hydrogen 3.435 N/A THR 236.A OG1 ASP 197.A OD2 no hydrogen 2.695 N/A GLN 237.A N LEU 54.A O no hydrogen 2.856 N/A GLY 238.A N ASP 197.A OD1 no hydrogen 2.835 N/A GLN 239.A N THR 236.A OG1 no hydrogen 3.027 N/A GLN 239.A NE2 ASN 225.A OD1 no hydrogen 2.926 N/A ALA 240.A N THR 236.A O no hydrogen 2.969 N/A THR 241.A N GLN 237.A O no hydrogen 3.005 N/A THR 241.A OG1 GLN 237.A O no hydrogen 3.241 N/A ARG 242.A NE ASN 174.A O no hydrogen 2.981 N/A ARG 242.A NH2 ASN 174.A O no hydrogen 2.940 N/A VAL 243.A N GLN 239.A O no hydrogen 2.970 N/A ASN 244.A N ALA 240.A O no hydrogen 2.790 N/A ALA 245.A N THR 241.A O no hydrogen 3.027 N/A CYS 246.A N ARG 242.A O no hydrogen 2.971 N/A LEU 247.A N VAL 243.A O no hydrogen 2.887 N/A ASP 248.A N ASN 244.A O no hydrogen 2.857 N/A GLY 249.A N CYS 246.A O no hydrogen 3.221 N/A ARG 251.A N CYS 246.A O no hydrogen 2.923 N/A ARG 251.A NE TRP 172.A O no hydrogen 2.888 N/A ARG 251.A NH1 ASP 140.A OD1 no hydrogen 2.931 N/A ARG 251.A NH2 ASP 140.A OD1 no hydrogen 3.230 N/A ARG 251.A NH2 TRP 172.A O no hydrogen 2.945 N/A SER 252.A N GLY 249.A O no hydrogen 3.031 N/A SER 252.A OG GLY 249.A O no hydrogen 3.046 N/A SER 253.A OG ASP 107.A O no hydrogen 2.651 N/A PHE 254.A N ARG 251.A O no hydrogen 3.105 N/A LEU 255.A N SER 252.A O no hydrogen 3.065 N/A