Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dca_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N TRP 204.A O no hydrogen 2.915 N/A ALA 7.A N LEU 202.A O no hydrogen 2.980 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 2.916 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 3.045 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.221 N/A ARG 8.A NH2 ASP 6.A OD2 no hydrogen 2.821 N/A GLU 9.A N ASP 6.A O no hydrogen 2.905 N/A GLN 10.A N ASP 6.A O no hydrogen 3.044 N/A TRP 11.A N ALA 7.A O no hydrogen 3.041 N/A CYS 14.A N TRP 11.A O no hydrogen 3.073 N/A THR 16.A OG1 ASP 40.A OD1 no hydrogen 2.667 N/A ILE 17.A N CYS 14.A O no hydrogen 3.155 N/A LYS 18.A N PRO 15.A O no hydrogen 2.997 N/A GLU 19.A N THR 16.A O no hydrogen 3.076 N/A ARG 21.A NH1 VAL 52.A O no hydrogen 2.952 N/A ARG 21.A NH2 VAL 52.A O no hydrogen 3.193 N/A GLN 23.A N SER 218.A O no hydrogen 2.959 N/A GLN 23.A NE2 CYS 26.A O no hydrogen 2.770 N/A GLY 24.A N ASP 22.A OD2 no hydrogen 2.718 N/A CYS 26.A SG SER 28.A OG no hydrogen 3.317 N/A CYS 26.A SG TYR 101.A OH no hydrogen 3.906 N/A GLY 27.A N CYS 69.A O no hydrogen 2.889 N/A SER 28.A OG TYR 101.A OH no hydrogen 3.004 N/A CYS 29.A SG HIS 197.A ND1 no hydrogen 3.484 N/A TRP 30.A NE1 GLY 68.A O no hydrogen 2.895 N/A ALA 31.A N SER 28.A O no hydrogen 3.004 N/A PHE 32.A N SER 28.A O no hydrogen 3.089 N/A GLY 33.A N CYS 29.A O no hydrogen 2.882 N/A VAL 35.A N ALA 31.A O no hydrogen 2.976 N/A GLU 36.A N PHE 32.A O no hydrogen 2.979 N/A ALA 37.A N GLY 33.A O no hydrogen 3.275 N/A ILE 38.A N ALA 34.A O no hydrogen 2.818 N/A SER 39.A N VAL 35.A O no hydrogen 2.857 N/A SER 39.A OG VAL 35.A O no hydrogen 2.676 N/A SER 39.A OG VAL 50.A O no hydrogen 3.425 N/A ASP 40.A N GLU 36.A O no hydrogen 3.024 N/A ARG 41.A N ALA 37.A O no hydrogen 2.831 N/A ARG 41.A NE PRO 167.A O no hydrogen 2.883 N/A ARG 41.A NH1 TYR 149.A OH no hydrogen 3.283 N/A ARG 41.A NH1 GLU 161.A OE2 no hydrogen 3.149 N/A ARG 41.A NH1 GLY 247.A O no hydrogen 2.926 N/A ARG 41.A NH2 GLU 161.A OE2 no hydrogen 2.779 N/A ARG 41.A NH2 GLY 166.A O no hydrogen 2.997 N/A ILE 42.A N ILE 38.A O no hydrogen 2.801 N/A CYS 43.A N SER 39.A O no hydrogen 3.262 N/A CYS 43.A SG ASN 13.A O no hydrogen 3.431 N/A ILE 44.A N ASP 40.A O no hydrogen 2.853 N/A HIS 45.A N ARG 41.A O no hydrogen 2.830 N/A HIS 45.A ND1 ARG 41.A O no hydrogen 3.250 N/A SER 46.A OG ILE 42.A O no hydrogen 2.405 N/A VAL 52.A N SER 39.A OG no hydrogen 2.972 N/A SER 53.A N VAL 87.A O no hydrogen 2.925 N/A SER 53.A OG ARG 99.A O no hydrogen 2.727 N/A ASP 56.A N SER 53.A OG no hydrogen 2.868 N/A MET 57.A N SER 53.A O no hydrogen 3.421 N/A LEU 58.A N ALA 54.A O no hydrogen 2.854 N/A THR 59.A N GLU 55.A O no hydrogen 2.952 N/A THR 59.A OG1 GLU 55.A O no hydrogen 2.687 N/A THR 59.A OG1 LYS 125.A O no hydrogen 3.455 N/A CYS 60.A N ASP 56.A O no hydrogen 2.983 N/A CYS 60.A SG ASP 56.A OD2 no hydrogen 3.712 N/A CYS 60.A SG THR 59.A OG1 no hydrogen 3.779 N/A CYS 60.A SG TYR 138.A OH no hydrogen 3.885 N/A CYS 61.A N MET 57.A O no hydrogen 3.381 N/A CYS 61.A SG GLY 62.A O no hydrogen 4.041 N/A CYS 61.A SG GLU 64.A OE1 no hydrogen 3.628 N/A CYS 65.A N GLY 62.A O no hydrogen 2.942 N/A CYS 65.A SG GLU 64.A OE1 no hydrogen 3.845 N/A GLY 66.A N GLY 63.A O no hydrogen 3.006 N/A ASP 67.A N GLY 71.A O no hydrogen 2.788 N/A CYS 69.A N THR 123.A OG1 no hydrogen 2.811 N/A ASN 70.A N ASP 67.A O no hydrogen 2.806 N/A GLY 71.A N GLY 68.A O no hydrogen 3.117 N/A PHE 73.A N CYS 65.A O no hydrogen 2.645 N/A ALA 77.A N PHE 73.A O no hydrogen 3.160 N/A TRP 78.A N PRO 74.A O no hydrogen 3.281 N/A TRP 78.A NE1 GLU 169.A OE2 no hydrogen 2.950 N/A ASN 79.A N SER 75.A O no hydrogen 3.183 N/A ASN 79.A ND2 GLU 64.A OE2 no hydrogen 3.346 N/A PHE 80.A N GLY 76.A O no hydrogen 3.057 N/A TRP 81.A N ALA 77.A O no hydrogen 3.197 N/A THR 82.A N TRP 78.A O no hydrogen 3.266 N/A THR 82.A OG1 ASN 79.A O no hydrogen 2.699 N/A LYS 83.A N ASN 79.A O no hydrogen 2.833 N/A LYS 83.A NZ THR 82.A OG1 no hydrogen 2.767 N/A LYS 84.A N PHE 80.A O no hydrogen 2.709 N/A GLY 85.A N PHE 80.A O no hydrogen 3.035 N/A LEU 86.A N HIS 143.A O no hydrogen 2.795 N/A VAL 87.A N ASP 56.A OD1 no hydrogen 3.133 N/A SER 88.A N ASP 141.A OD2 no hydrogen 2.878 N/A SER 88.A OG TYR 134.A OH no hydrogen 3.144 N/A SER 88.A OG ASP 141.A OD2 no hydrogen 2.815 N/A GLY 89.A N GLU 51.A O no hydrogen 2.726 N/A GLY 90.A N VAL 96.A O no hydrogen 2.777 N/A SER 94.A N LEU 91.A O no hydrogen 3.065 N/A SER 94.A OG LEU 91.A O no hydrogen 2.628 N/A VAL 96.A N SER 94.A OG no hydrogen 3.149 N/A CYS 98.A N SER 88.A OG no hydrogen 3.092 N/A ARG 99.A N SER 88.A O no hydrogen 2.831 N/A ARG 99.A NH1 ASP 56.A OD2 no hydrogen 3.152 N/A ARG 99.A NH1 THR 59.A OG1 no hydrogen 3.221 N/A ARG 99.A NH2 THR 59.A OG1 no hydrogen 3.110 N/A ARG 99.A NH2 LYS 125.A O no hydrogen 3.053 N/A TYR 101.A N GLY 90.A O no hydrogen 2.954 N/A TYR 101.A OH GLN 23.A O no hydrogen 2.670 N/A TYR 101.A OH SER 28.A OG no hydrogen 3.004 N/A SER 102.A N GLU 55.A OE1 no hydrogen 2.855 N/A SER 102.A OG GLU 55.A OE1 no hydrogen 3.108 N/A SER 102.A OG GLU 55.A OE2 no hydrogen 2.668 N/A CYS 106.A N ASP 22.A OD1 no hydrogen 2.971 N/A CYS 106.A SG SER 25.A OG no hydrogen 3.648 N/A CYS 106.A SG HIS 108.A NE2 no hydrogen 3.620 N/A GLU 107.A N PRO 115.A O no hydrogen 2.861 N/A HIS 108.A NE2 ASP 22.A OD2 no hydrogen 2.634 N/A ARG 114.A N GLU 107.A OE2 no hydrogen 2.996 N/A ARG 114.A NH1 CYS 106.A O no hydrogen 2.830 N/A ARG 114.A NH1 ASP 222.A OD1 no hydrogen 3.030 N/A ARG 114.A NH1 ASP 222.A OD2 no hydrogen 3.455 N/A ARG 114.A NH2 ASP 222.A OD2 no hydrogen 3.538 N/A CYS 117.A N GLU 107.A O no hydrogen 3.095 N/A CYS 117.A SG GLU 107.A O no hydrogen 3.149 N/A THR 118.A N SER 25.A OG no hydrogen 2.781 N/A THR 118.A OG1 GLU 120.A O no hydrogen 3.381 N/A SER 127.A OG THR 129.A OG1 no hydrogen 2.995 N/A THR 129.A OG1 SER 127.A OG no hydrogen 2.995 N/A CYS 130.A SG PRO 136.A O no hydrogen 3.696 N/A GLU 131.A N CYS 98.A O no hydrogen 2.831 N/A TYR 134.A N GLU 131.A O no hydrogen 3.255 N/A TYR 134.A OH ASP 141.A OD1 no hydrogen 2.550 N/A SER 137.A N GLU 140.A OE1 no hydrogen 3.309 N/A TYR 138.A OH ASP 56.A OD1 no hydrogen 3.429 N/A TYR 138.A OH ASP 56.A OD2 no hydrogen 2.536 N/A GLU 140.A N SER 137.A OG no hydrogen 3.294 N/A ASP 141.A N SER 137.A O no hydrogen 2.900 N/A ASP 141.A N TYR 138.A O no hydrogen 3.140 N/A LYS 142.A N LYS 139.A O no hydrogen 3.482 N/A LYS 142.A NZ ASP 56.A OD1 no hydrogen 2.766 N/A LYS 142.A NZ GLY 85.A O no hydrogen 2.874 N/A LYS 142.A NZ TYR 138.A OH no hydrogen 3.049 N/A HIS 143.A N LEU 86.A O no hydrogen 2.721 N/A GLY 145.A N TRP 81.A O no hydrogen 3.011 N/A CYS 146.A N MET 248.A O no hydrogen 2.679 N/A SER 148.A OG ASN 79.A OD1 no hydrogen 2.875 N/A TYR 149.A N ALA 246.A O no hydrogen 2.946 N/A TYR 149.A OH GLU 161.A OE2 no hydrogen 2.679 N/A VAL 151.A N ILE 244.A O no hydrogen 2.900 N/A ASN 153.A ND2 ASP 236.A OD2 no hydrogen 3.317 N/A ASN 154.A N ALA 152.A O no hydrogen 2.639 N/A GLU 157.A N ASN 154.A OD1 no hydrogen 2.935 N/A ILE 158.A N ASN 154.A O no hydrogen 2.889 N/A MET 159.A N GLU 155.A O no hydrogen 2.898 N/A ALA 160.A N LYS 156.A O no hydrogen 2.822 N/A GLU 161.A N GLU 157.A O no hydrogen 2.913 N/A ILE 162.A N ILE 158.A O no hydrogen 3.062 N/A TYR 163.A N MET 159.A O no hydrogen 2.839 N/A LYS 164.A N ALA 160.A O no hydrogen 2.965 N/A ASN 165.A N GLU 161.A O no hydrogen 2.781 N/A ASN 165.A ND2 HIS 45.A NE2 no hydrogen 3.360 N/A GLY 166.A N ILE 162.A O no hydrogen 2.837 N/A VAL 168.A N ILE 201.A O no hydrogen 3.099 N/A GLU 169.A N VAL 245.A O no hydrogen 3.048 N/A GLY 170.A N ILE 199.A O no hydrogen 2.932 N/A PHE 172.A N HIS 197.A O no hydrogen 3.026 N/A SER 173.A N CYS 238.A O no hydrogen 2.868 N/A VAL 174.A N GLY 195.A O no hydrogen 2.842 N/A SER 176.A N GLU 192.A O no hydrogen 2.956 N/A PHE 178.A N TYR 175.A O no hydrogen 2.898 N/A LEU 179.A N SER 176.A O no hydrogen 3.117 N/A TYR 181.A N PHE 178.A O no hydrogen 2.995 N/A TYR 181.A OH GLY 184.A O no hydrogen 2.620 N/A TYR 186.A N LYS 230.A O no hydrogen 2.779 N/A TYR 186.A OH ASP 177.A OD2 no hydrogen 2.627 N/A VAL 189.A N ASP 177.A OD1 no hydrogen 2.894 N/A SER 190.A N ASP 177.A OD1 no hydrogen 3.183 N/A MET 194.A N VAL 174.A O no hydrogen 2.653 N/A HIS 197.A N PHE 172.A O no hydrogen 2.885 N/A HIS 197.A NE2 ASN 217.A OD1 no hydrogen 2.801 N/A ILE 199.A N GLY 170.A O no hydrogen 2.781 N/A ARG 200.A N GLY 216.A O no hydrogen 3.394 N/A ARG 200.A NE ASP 40.A OD2 no hydrogen 2.588 N/A ARG 200.A NH1 ILE 17.A O no hydrogen 3.269 N/A ARG 200.A NH2 ILE 17.A O no hydrogen 2.411 N/A ARG 200.A NH2 ASP 40.A OD2 no hydrogen 2.773 N/A ILE 201.A N VAL 168.A O no hydrogen 2.934 N/A LEU 202.A N LEU 214.A O no hydrogen 2.972 N/A TRP 204.A N PHE 5.A O no hydrogen 2.839 N/A TRP 204.A NE1 PRO 2.A O no hydrogen 3.121 N/A GLY 205.A N TYR 212.A O no hydrogen 3.104 N/A GLU 207.A N THR 210.A O no hydrogen 2.914 N/A THR 210.A N GLU 207.A O no hydrogen 2.891 N/A TYR 212.A N GLY 205.A O no hydrogen 2.885 N/A TRP 213.A N ILE 231.A O no hydrogen 2.841 N/A TRP 213.A NE1 GLU 241.A OE2 no hydrogen 2.781 N/A LEU 214.A N GLY 203.A O no hydrogen 2.773 N/A VAL 215.A N PHE 229.A O no hydrogen 2.854 N/A GLY 216.A N ARG 200.A O no hydrogen 2.836 N/A ASN 217.A N GLY 227.A O no hydrogen 2.997 N/A SER 218.A N ASN 217.A OD1 no hydrogen 2.705 N/A SER 218.A OG GLN 23.A OE1 no hydrogen 2.631 N/A ASN 220.A N ARG 21.A O no hydrogen 3.027 N/A ASN 220.A ND2 ASP 22.A OD1 no hydrogen 2.898 N/A THR 221.A N ASN 220.A OD1 no hydrogen 2.648 N/A THR 221.A OG1 ASN 220.A OD1 no hydrogen 3.344 N/A TRP 223.A NE1 LEU 179.A O no hydrogen 3.029 N/A ASP 225.A N PHE 228.A O no hydrogen 2.948 N/A GLY 227.A N TRP 223.A O no hydrogen 2.859 N/A PHE 228.A N ASP 225.A O no hydrogen 3.040 N/A PHE 229.A N VAL 215.A O no hydrogen 2.843 N/A LYS 230.A N TYR 181.A OH no hydrogen 3.273 N/A LYS 230.A NZ GLU 207.A OE1 no hydrogen 3.116 N/A LYS 230.A NZ TYR 212.A OH no hydrogen 3.472 N/A ILE 231.A N TRP 213.A O no hydrogen 3.262 N/A LEU 232.A N TYR 186.A O no hydrogen 3.140 N/A ARG 233.A N PRO 211.A O no hydrogen 2.958 N/A ARG 233.A NE TYR 212.A O no hydrogen 2.993 N/A ARG 233.A NH1 GLU 155.A OE1 no hydrogen 2.603 N/A ARG 233.A NH2 GLY 205.A O no hydrogen 2.872 N/A GLY 234.A N GLU 241.A OE2 no hydrogen 2.907 N/A ASP 236.A N GLU 241.A OE1 no hydrogen 2.852 N/A CYS 238.A SG SER 173.A O no hydrogen 3.720 N/A GLY 239.A N ASP 236.A O no hydrogen 2.823 N/A ILE 240.A N HIS 237.A O no hydrogen 2.973 N/A GLU 241.A N ASP 236.A OD1 no hydrogen 2.985 N/A SER 242.A N GLY 239.A O no hydrogen 2.963 N/A SER 242.A OG GLY 239.A O no hydrogen 2.802 N/A VAL 245.A N GLU 169.A O no hydrogen 2.941 N/A ALA 246.A N TYR 149.A O no hydrogen 3.075 N/A MET 248.A N SER 147.A O no hydrogen 3.183 N/A MET 248.A N SER 147.A OG no hydrogen 2.996 N/A CYS 250.A N PHE 144.A O no hydrogen 3.184 N/A CYS 250.A SG PHE 144.A O no hydrogen 3.661 N/A