Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ddk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A SG HIS 53.A NE2 no hydrogen 3.565 N/A PHE 6.A N TRP 2.A O no hydrogen 3.239 N/A GLN 7.A N GLU 3.A O no hydrogen 3.185 N/A GLN 7.A NE2 GLU 3.A OE2 no hydrogen 2.521 N/A ALA 8.A N GLU 4.A O no hydrogen 3.159 N/A ALA 9.A N CYS 5.A O no hydrogen 2.800 N/A VAL 10.A N PHE 6.A O no hydrogen 2.870 N/A GLN 11.A N GLN 7.A O no hydrogen 2.949 N/A LEU 12.A N ALA 8.A O no hydrogen 3.124 N/A ALA 13.A N ALA 9.A O no hydrogen 2.907 N/A LEU 14.A N VAL 10.A O no hydrogen 2.950 N/A ARG 15.A N GLN 11.A O no hydrogen 2.773 N/A ARG 15.A NH1 GLU 45.A OE1 no hydrogen 3.189 N/A ALA 16.A N LEU 12.A O no hydrogen 2.808 N/A GLY 17.A N ALA 13.A O no hydrogen 2.572 N/A GLN 18.A N LEU 14.A O no hydrogen 2.588 N/A ILE 19.A N ARG 15.A O no hydrogen 2.703 N/A ILE 20.A N ALA 16.A O no hydrogen 2.924 N/A ILE 20.A N GLY 17.A O no hydrogen 3.274 N/A ARG 21.A N GLY 17.A O no hydrogen 2.842 N/A LYS 22.A N GLN 18.A O no hydrogen 3.161 N/A LEU 24.A N ILE 20.A O no hydrogen 3.163 N/A LEU 24.A N ARG 21.A O no hydrogen 3.373 N/A THR 25.A N LYS 22.A O no hydrogen 3.170 N/A THR 25.A OG1 LYS 22.A O no hydrogen 3.558 N/A THR 32.A OG1 ALA 28.A O no hydrogen 3.106 N/A GLU 33.A N ASP 29.A O no hydrogen 3.348 N/A THR 34.A N LEU 30.A O no hydrogen 2.824 N/A THR 34.A OG1 LEU 30.A O no hydrogen 2.924 N/A ASP 35.A N VAL 31.A O no hydrogen 2.652 N/A HIS 36.A N THR 32.A O no hydrogen 3.008 N/A LEU 37.A N GLU 33.A O no hydrogen 2.829 N/A VAL 38.A N THR 34.A O no hydrogen 2.789 N/A GLU 39.A N ASP 35.A O no hydrogen 3.024 N/A ASP 40.A N HIS 36.A O no hydrogen 2.810 N/A LEU 41.A N LEU 37.A O no hydrogen 2.563 N/A ILE 42.A N VAL 38.A O no hydrogen 2.688 N/A ILE 43.A N GLU 39.A O no hydrogen 2.852 N/A SER 44.A N ASP 40.A O no hydrogen 3.116 N/A SER 44.A OG ASP 40.A O no hydrogen 2.474 N/A LEU 46.A N ILE 42.A O no hydrogen 3.306 N/A ARG 47.A N ILE 43.A O no hydrogen 2.936 N/A ARG 49.A N GLU 45.A O no hydrogen 2.859 N/A ARG 49.A NE GLU 4.A OE2 no hydrogen 3.341 N/A PHE 50.A N LEU 46.A O no hydrogen 2.657 N/A SER 52.A OG HIS 53.A ND1 no hydrogen 3.366 N/A HIS 53.A N PHE 50.A O no hydrogen 3.097 N/A ARG 54.A N PRO 73.A O no hydrogen 2.886 N/A ILE 56.A N TRP 75.A O no hydrogen 2.816 N/A ALA 61.A N ALA 57.A O no hydrogen 3.434 N/A SER 63.A N ALA 60.A O no hydrogen 3.348 N/A SER 63.A OG ALA 65.A O no hydrogen 2.942 N/A THR 70.A OG1 SER 72.A OG no hydrogen 2.981 N/A SER 72.A N THR 70.A OG1 no hydrogen 3.203 N/A SER 72.A OG THR 70.A OG1 no hydrogen 2.981 N/A THR 74.A N ALA 100.A O no hydrogen 3.003 N/A THR 74.A OG1 SER 72.A O no hydrogen 2.894 N/A TRP 75.A N ARG 54.A O no hydrogen 2.788 N/A ILE 76.A N GLY 98.A O no hydrogen 2.869 N/A ILE 77.A N ILE 56.A O no hydrogen 3.027 N/A ASP 78.A N SER 96.A O no hydrogen 2.919 N/A ASP 81.A N ALA 94.A O no hydrogen 2.762 N/A ASN 85.A ND2 THR 92.A O no hydrogen 3.022 N/A ASN 85.A ND2 ILE 181.A O no hydrogen 2.808 N/A PHE 86.A N GLY 82.A O no hydrogen 2.807 N/A VAL 87.A N THR 83.A O no hydrogen 2.938 N/A HIS 88.A N CYS 84.A O no hydrogen 3.115 N/A ARG 89.A N PHE 86.A O no hydrogen 3.014 N/A ARG 89.A NH1 ALA 23.A O no hydrogen 2.952 N/A PHE 90.A N ASN 85.A O no hydrogen 2.768 N/A THR 92.A N PHE 90.A O no hydrogen 2.571 N/A ALA 94.A N ASP 81.A O no hydrogen 2.832 N/A VAL 95.A N TYR 111.A O no hydrogen 3.351 N/A SER 96.A N ASP 78.A O no hydrogen 3.086 N/A ILE 97.A N VAL 109.A O no hydrogen 3.107 N/A GLY 98.A N ILE 76.A O no hydrogen 2.782 N/A PHE 99.A N PHE 107.A O no hydrogen 2.981 N/A ALA 100.A N THR 74.A O no hydrogen 2.879 N/A VAL 101.A N GLU 104.A O no hydrogen 2.811 N/A ARG 102.A N HIS 71.A O no hydrogen 3.176 N/A GLN 103.A NE2 LEU 69.A O no hydrogen 2.577 N/A GLN 103.A NE2 THR 70.A O no hydrogen 3.594 N/A GLU 104.A N VAL 101.A O no hydrogen 2.993 N/A GLU 106.A N PHE 99.A O no hydrogen 2.587 N/A PHE 107.A N PHE 99.A O no hydrogen 3.282 N/A GLY 108.A N GLY 121.A O no hydrogen 2.914 N/A ILE 110.A N TYR 119.A O no hydrogen 2.781 N/A TYR 111.A N VAL 95.A O no hydrogen 3.009 N/A HIS 112.A N ARG 117.A O no hydrogen 2.624 N/A CYS 113.A N VAL 93.A O no hydrogen 3.174 N/A CYS 113.A SG VAL 93.A O no hydrogen 3.502 N/A THR 114.A OG1 PRO 91.A O no hydrogen 3.123 N/A ARG 117.A N HIS 112.A O no hydrogen 3.282 N/A ARG 117.A NE GLU 115.A OE1 no hydrogen 3.154 N/A TYR 119.A N ILE 110.A O no hydrogen 2.744 N/A THR 120.A N PHE 128.A O no hydrogen 3.094 N/A GLY 121.A N GLY 108.A O no hydrogen 2.818 N/A ARG 122.A NH1 GLU 3.A OE1 no hydrogen 3.496 N/A ARG 123.A N GLU 106.A O no hydrogen 2.695 N/A ARG 123.A NE GLU 106.A OE1 no hydrogen 3.416 N/A ARG 123.A NH1 GLU 106.A OE1 no hydrogen 3.431 N/A GLY 124.A N GLU 218.A OE1 no hydrogen 2.833 N/A ARG 125.A N ARG 122.A O no hydrogen 2.710 N/A GLY 126.A N GLU 218.A OE2 no hydrogen 3.124 N/A PHE 128.A N THR 120.A O no hydrogen 2.947 N/A CYS 129.A N GLN 132.A O no hydrogen 2.798 N/A ASN 130.A N LEU 118.A O no hydrogen 3.194 N/A ASN 130.A ND2 GLU 116.A O no hydrogen 2.882 N/A GLN 132.A N CYS 129.A O no hydrogen 2.975 N/A LEU 134.A N ALA 127.A O no hydrogen 2.656 N/A VAL 136.A N ALA 219.A O no hydrogen 3.198 N/A SER 137.A OG ASP 197.A OD1 no hydrogen 3.015 N/A SER 137.A OG SER 242.A OG no hydrogen 3.102 N/A GLU 139.A N SER 137.A OG no hydrogen 3.297 N/A GLU 139.A N SER 242.A OG no hydrogen 3.292 N/A THR 140.A N GLU 139.A OE1 no hydrogen 2.681 N/A ASP 141.A N GLU 139.A OE2 no hydrogen 2.832 N/A SER 143.A OG ASP 141.A OD2 no hydrogen 2.460 N/A LYS 144.A N ASP 141.A O no hydrogen 2.782 N/A LEU 146.A N ASP 197.A OD2 no hydrogen 2.641 N/A VAL 147.A N GLY 177.A O no hydrogen 3.021 N/A LEU 148.A N ALA 198.A O no hydrogen 2.881 N/A THR 149.A N ARG 179.A O no hydrogen 2.996 N/A THR 149.A OG1 GLU 150.A O no hydrogen 3.411 N/A THR 149.A OG1 TYR 200.A O no hydrogen 3.084 N/A ARG 155.A NH1 GLY 152.A O no hydrogen 3.026 N/A ARG 155.A NH1 LYS 154.A O no hydrogen 2.929 N/A THR 159.A N ASP 156.A OD1 no hydrogen 2.934 N/A THR 159.A OG1 ASP 156.A OD1 no hydrogen 2.845 N/A LEU 160.A N ASP 156.A O no hydrogen 3.062 N/A LYS 161.A N PRO 157.A O no hydrogen 3.012 N/A LEU 164.A N LEU 160.A O no hydrogen 3.102 N/A SER 165.A N LYS 161.A O no hydrogen 2.933 N/A SER 165.A OG LYS 161.A O no hydrogen 3.184 N/A SER 165.A OG LEU 162.A O no hydrogen 2.599 N/A SER 165.A OG ASN 166.A OD1 no hydrogen 3.349 N/A ASN 166.A N LEU 162.A O no hydrogen 2.943 N/A MET 167.A N PHE 163.A O no hydrogen 2.876 N/A GLU 168.A N LEU 164.A O no hydrogen 2.709 N/A ARG 169.A N SER 165.A O no hydrogen 2.727 N/A ARG 169.A NH2 SER 165.A OG no hydrogen 3.106 N/A LEU 170.A N ASN 166.A O no hydrogen 2.884 N/A LEU 171.A N MET 167.A O no hydrogen 2.890 N/A HIS 172.A N GLU 168.A O no hydrogen 2.666 N/A ALA 173.A N ARG 169.A O no hydrogen 3.287 N/A ALA 175.A N ALA 173.A O no hydrogen 2.846 N/A ARG 179.A N VAL 147.A O no hydrogen 2.702 N/A ARG 179.A NH2 VAL 178.A O no hydrogen 2.809 N/A GLY 182.A N GLU 150.A OE2 no hydrogen 2.706 N/A SER 183.A N GLU 150.A OE1 no hydrogen 2.921 N/A SER 183.A OG ASP 81.A OD1 no hydrogen 3.176 N/A THR 185.A N ASP 81.A OD1 no hydrogen 3.021 N/A THR 185.A OG1 ASP 81.A OD1 no hydrogen 2.540 N/A THR 185.A OG1 SER 183.A OG no hydrogen 3.276 N/A LEU 186.A N SER 183.A OG no hydrogen 3.187 N/A ALA 187.A N SER 183.A O no hydrogen 2.952 N/A LEU 188.A N SER 184.A O no hydrogen 2.839 N/A CYS 189.A N THR 185.A O no hydrogen 2.911 N/A CYS 189.A SG THR 185.A O no hydrogen 3.545 N/A HIS 190.A N LEU 186.A O no hydrogen 3.045 N/A LEU 191.A N LEU 188.A O no hydrogen 2.895 N/A ALA 192.A N LEU 188.A O no hydrogen 2.981 N/A SER 193.A N CYS 189.A O no hydrogen 2.850 N/A SER 193.A OG HIS 190.A O no hydrogen 3.180 N/A GLY 194.A N HIS 190.A O no hydrogen 3.130 N/A GLY 194.A N LEU 191.A O no hydrogen 3.362 N/A ALA 195.A N SER 193.A OG no hydrogen 3.299 N/A ALA 196.A N HIS 190.A O no hydrogen 3.071 N/A ASP 197.A N LEU 146.A O no hydrogen 2.901 N/A TYR 199.A N ALA 240.A O no hydrogen 2.728 N/A TYR 199.A OH GLN 201.A OE1 no hydrogen 2.540 N/A TYR 200.A N LEU 148.A O no hydrogen 3.147 N/A GLN 201.A N VAL 238.A O no hydrogen 3.126 N/A GLY 203.A N CYS 236.A O no hydrogen 2.706 N/A LEU 204.A N CYS 236.A O no hydrogen 2.908 N/A ASP 208.A N HIS 205.A O no hydrogen 3.163 N/A LEU 209.A N CYS 206.A O no hydrogen 2.996 N/A THR 213.A N LEU 209.A O no hydrogen 3.053 N/A THR 213.A N ALA 210.A O no hydrogen 3.042 N/A THR 213.A OG1 LEU 209.A O no hydrogen 2.673 N/A VAL 214.A N ALA 210.A O no hydrogen 3.464 N/A ILE 215.A N ALA 211.A O no hydrogen 3.279 N/A ILE 216.A N ALA 212.A O no hydrogen 3.028 N/A ARG 217.A N THR 213.A O no hydrogen 3.066 N/A GLU 218.A N VAL 214.A O no hydrogen 2.763 N/A ALA 219.A N ILE 216.A O no hydrogen 3.216 N/A GLY 220.A N ARG 217.A O no hydrogen 2.718 N/A GLY 221.A N ILE 216.A O no hydrogen 2.897 N/A ILE 222.A N ALA 241.A O no hydrogen 3.294 N/A ILE 224.A N VAL 239.A O no hydrogen 2.854 N/A ASP 225.A N GLY 229.A O no hydrogen 2.926 N/A SER 227.A N ASP 225.A OD1 no hydrogen 2.542 N/A SER 227.A OG ASP 225.A OD1 no hydrogen 2.688 N/A GLY 228.A N ASP 225.A O no hydrogen 2.877 N/A GLY 229.A N SER 227.A OG no hydrogen 3.306 N/A MET 234.A N ASP 232.A OD2 no hydrogen 3.102 N/A ALA 235.A N ASP 232.A O no hydrogen 2.696 N/A ARG 237.A NE ASP 225.A OD2 no hydrogen 2.700 N/A ARG 237.A NH1 ASP 225.A OD2 no hydrogen 3.297 N/A VAL 238.A N GLN 201.A O no hydrogen 3.034 N/A VAL 239.A N ILE 224.A O no hydrogen 2.844 N/A ALA 240.A N TYR 199.A O no hydrogen 2.891 N/A ALA 241.A N ILE 222.A O no hydrogen 3.245 N/A SER 242.A OG SER 137.A OG no hydrogen 3.102 N/A SER 242.A OG GLU 139.A O no hydrogen 3.288 N/A THR 243.A OG1 GLU 139.A O no hydrogen 3.291 N/A MET 246.A N THR 243.A OG1 no hydrogen 2.848 N/A ALA 247.A N THR 243.A O no hydrogen 2.940 N/A MET 248.A N ARG 244.A O no hydrogen 3.065 N/A LEU 249.A N GLU 245.A O no hydrogen 2.766 N/A ILE 250.A N MET 246.A O no hydrogen 3.026 N/A ALA 251.A N ALA 247.A O no hydrogen 3.217 N/A GLN 252.A N MET 248.A O no hydrogen 2.844 N/A ALA 253.A N LEU 249.A O no hydrogen 3.260 N/A LEU 254.A N ILE 250.A O no hydrogen 3.242 N/A