Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8frk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 14.A OD2 no hydrogen 3.061 N/A ARG 4.A N ALA 1.A O no hydrogen 2.993 N/A LEU 5.A N HIS 2.A O no hydrogen 3.235 N/A TYR 9.A N GLN 6.A O no hydrogen 2.755 N/A TRP 10.A N PRO 7.A O no hydrogen 3.002 N/A SER 11.A N ASP 14.A OD2 no hydrogen 2.977 N/A SER 11.A OG ASP 14.A OD2 no hydrogen 2.804 N/A ASP 14.A N SER 11.A OG no hydrogen 3.131 N/A VAL 15.A N SER 11.A O no hydrogen 3.177 N/A ALA 16.A N ARG 12.A O no hydrogen 3.264 N/A GLN 17.A N ASP 13.A O no hydrogen 2.893 N/A TRP 18.A N ASP 14.A O no hydrogen 2.708 N/A LEU 19.A N VAL 15.A O no hydrogen 3.058 N/A LYS 20.A N ALA 16.A O no hydrogen 3.167 N/A TRP 21.A N GLN 17.A O no hydrogen 2.874 N/A ALA 22.A N TRP 18.A O no hydrogen 2.933 N/A GLU 23.A N LEU 19.A O no hydrogen 2.874 N/A ASN 24.A N LYS 20.A O no hydrogen 3.357 N/A GLU 25.A N TRP 21.A O no hydrogen 2.848 N/A PHE 26.A N ALA 22.A O no hydrogen 3.003 N/A LEU 28.A N GLU 23.A O no hydrogen 2.861 N/A ASN 34.A N ASP 32.A OD1 no hydrogen 3.035 N/A THR 35.A N ASP 32.A O no hydrogen 2.930 N/A THR 35.A OG1 ASP 32.A O no hydrogen 2.502 N/A GLY 40.A N TRP 10.A O no hydrogen 2.939 N/A ALA 42.A N ASN 39.A OD1 no hydrogen 3.107 N/A LEU 43.A N ASN 39.A O no hydrogen 2.898 N/A LEU 44.A N GLY 40.A O no hydrogen 2.883 N/A LEU 45.A N ALA 42.A O no hydrogen 2.985 N/A LEU 46.A N LEU 43.A O no hydrogen 3.446 N/A THR 47.A N ASP 50.A OD2 no hydrogen 3.191 N/A LYS 48.A NZ GLU 64.A OE2 no hydrogen 3.012 N/A ASP 50.A N THR 47.A OG1 no hydrogen 3.141 N/A PHE 51.A N THR 47.A O no hydrogen 3.168 N/A ARG 52.A N LYS 48.A O no hydrogen 2.931 N/A TYR 53.A N GLU 49.A O no hydrogen 2.846 N/A ARG 54.A N ASP 50.A O no hydrogen 2.954 N/A ARG 54.A NH1 THR 35.A O no hydrogen 3.076 N/A SER 55.A N PHE 51.A O no hydrogen 2.937 N/A SER 55.A OG SER 58.A OG no hydrogen 2.811 N/A SER 58.A N SER 55.A O no hydrogen 3.306 N/A SER 58.A OG SER 55.A OG no hydrogen 2.811 N/A GLY 59.A N SER 55.A O no hydrogen 2.727 N/A GLU 61.A N ASP 60.A OD1 no hydrogen 2.506 N/A LEU 62.A N SER 58.A O no hydrogen 3.046 N/A TYR 63.A N GLY 59.A O no hydrogen 2.999 N/A GLU 64.A N ASP 60.A O no hydrogen 3.138 N/A LEU 65.A N GLU 61.A O no hydrogen 2.873 N/A LEU 66.A N LEU 62.A O no hydrogen 2.786 N/A GLN 67.A N TYR 63.A O no hydrogen 2.894 N/A HIS 68.A N GLU 64.A O no hydrogen 2.902 N/A HIS 68.A ND1 GLU 64.A O no hydrogen 3.005 N/A ILE 69.A N LEU 65.A O no hydrogen 2.969 N/A LEU 70.A N LEU 66.A O no hydrogen 2.963 N/A ALA 71.A N GLN 67.A O no hydrogen 2.928 N/A LYS 80.A N ASP 77.A OD2 no hydrogen 3.092 N/A ILE 81.A N ASP 77.A O no hydrogen 3.073 N/A ASN 82.A N GLU 78.A O no hydrogen 2.840 N/A ALA 83.A N LEU 79.A O no hydrogen 3.087 N/A ALA 84.A N LYS 80.A O no hydrogen 3.006 N/A CYS 85.A N.A ILE 81.A O no hydrogen 2.826 N/A CYS 85.A N.B ILE 81.A O no hydrogen 2.820 N/A CYS 85.A SG.A ILE 81.A O no hydrogen 3.063 N/A CYS 85.A SG.B ASN 162.A OD1 no hydrogen 3.803 N/A ARG 86.A N ASN 82.A O no hydrogen 2.833 N/A LYS 87.A N ALA 83.A O no hydrogen 2.857 N/A VAL 88.A N ALA 84.A O no hydrogen 2.969 N/A GLN 89.A N CYS 85.A O.A no hydrogen 2.902 N/A GLN 89.A N CYS 85.A O.B no hydrogen 2.909 N/A HIS 90.A N ARG 86.A O no hydrogen 3.127 N/A HIS 90.A ND1 CYS 116.A O no hydrogen 2.764 N/A MET 91.A N LYS 87.A O no hydrogen 3.094 N/A VAL 92.A N VAL 88.A O no hydrogen 2.955 N/A VAL 93.A N GLN 89.A O no hydrogen 3.073 N/A LYS 94.A N HIS 90.A O no hydrogen 2.930 N/A LYS 94.A NZ ASP 195.A OD1 no hydrogen 2.898 N/A ALA 95.A N MET 91.A O no hydrogen 3.072 N/A ALA 96.A N VAL 92.A O no hydrogen 3.043 N/A LEU 97.A N VAL 93.A O no hydrogen 3.105 N/A LEU 98.A N LYS 94.A O no hydrogen 3.167 N/A ALA 99.A N ALA 95.A O no hydrogen 2.780 N/A ASP 100.A N ALA 96.A O no hydrogen 3.023 N/A LYS 101.A N LEU 97.A O no hydrogen 3.006 N/A LYS 101.A NZ LEU 98.A O no hydrogen 3.171 N/A LYS 101.A NZ ALA 99.A O no hydrogen 3.290 N/A LEU 105.A N GLU 123.A O no hydrogen 2.766 N/A HIS 106.A N VAL 157.A O no hydrogen 2.855 N/A HIS 106.A ND1 TYR 127.A OH no hydrogen 2.882 N/A HIS 106.A NE2 ASP 155.A OD1 no hydrogen 3.062 N/A ASP 107.A N LYS 125.A O no hydrogen 2.726 N/A ILE 108.A N LEU 159.A O no hydrogen 2.896 N/A GLY 109.A N TYR 127.A O no hydrogen 2.897 N/A ASN 110.A N TYR 127.A O no hydrogen 3.079 N/A ASN 110.A ND2 ASP 107.A OD2 no hydrogen 2.686 N/A ASN 110.A ND2 ILE 114.A O no hydrogen 2.863 N/A LYS 112.A N ASN 110.A OD1 no hydrogen 3.193 N/A ALA 120.A N VAL 117.A O no hydrogen 3.229 N/A GLU 123.A N PRO 103.A O no hydrogen 3.155 N/A TRP 124.A NE1 ASP 107.A OD2 no hydrogen 3.300 N/A LYS 125.A N LEU 105.A O no hydrogen 2.830 N/A TYR 127.A N ASP 107.A O no hydrogen 2.919 N/A TYR 127.A OH HIS 106.A ND1 no hydrogen 2.882 N/A ASP 128.A N GLU 140.A O no hydrogen 2.989 N/A GLN 130.A N ASP 128.A OD1 no hydrogen 2.680 N/A CYS 132.A N PRO 111.A O no hydrogen 3.115 N/A CYS 132.A SG PRO 111.A O no hydrogen 3.077 N/A LYS 135.A N CYS 132.A O no hydrogen 2.762 N/A LYS 138.A N LYS 135.A O no hydrogen 3.357 N/A LYS 138.A NZ TYR 137.A OH no hydrogen 3.052 N/A ILE 139.A N ALA 136.A O no hydrogen 3.206 N/A GLU 140.A N PHE 126.A O no hydrogen 3.007 N/A LEU 142.A N ASP 128.A O no hydrogen 2.956 N/A SER 145.A N HIS 149.A ND1 no hydrogen 3.431 N/A SER 145.A OG ASP 166.A OD2 no hydrogen 3.455 N/A TYR 146.A N ASP 166.A OD1 no hydrogen 2.896 N/A THR 148.A N SER 145.A O no hydrogen 3.002 N/A THR 148.A OG1.B SER 145.A O no hydrogen 2.928 N/A THR 148.A OG1.B HIS 149.A ND1 no hydrogen 2.868 N/A HIS 149.A N SER 145.A O no hydrogen 2.838 N/A HIS 149.A ND1 SER 145.A O no hydrogen 3.273 N/A SER 150.A N TYR 146.A O no hydrogen 3.084 N/A ASP 151.A N ASP 151.A OD1.B no hydrogen 2.442 N/A LYS 152.A N HIS 149.A O no hydrogen 2.855 N/A VAL 157.A N VAL 104.A O.A no hydrogen 2.988 N/A VAL 157.A N VAL 104.A O.B no hydrogen 3.028 N/A CYS 158.A N ASN 171.A O no hydrogen 2.675 N/A CYS 158.A SG PHE 153.A O no hydrogen 3.812 N/A CYS 158.A SG ASN 171.A OD1 no hydrogen 4.004 N/A LEU 159.A N HIS 106.A O no hydrogen 2.811 N/A PHE 160.A N ILE 173.A O no hydrogen 2.756 N/A ASN 162.A N CYS 175.A O no hydrogen 2.691 N/A ARG 167.A N ASP 166.A OD1 no hydrogen 2.919 N/A ARG 167.A NH2 ASN 184.A OD1 no hydrogen 3.258 N/A TYR 168.A N ALA 181.A O no hydrogen 3.182 N/A TYR 168.A OH CYS 163.A O no hydrogen 3.351 N/A ASN 171.A ND2 PHE 153.A O no hydrogen 3.124 N/A ASN 171.A ND2 GLY 156.A O no hydrogen 2.912 N/A SER 172.A OG PRO 169.A O no hydrogen 2.712 N/A ILE 173.A N CYS 158.A O no hydrogen 2.809 N/A VAL 174.A N TRP 242.A O no hydrogen 2.990 N/A CYS 175.A N PHE 160.A O no hydrogen 3.039 N/A CYS 175.A SG ASN 162.A OD1 no hydrogen 3.546 N/A ARG 176.A N SER 240.A O no hydrogen 3.003 N/A ARG 176.A NH1 VAL 165.A O no hydrogen 3.411 N/A ARG 176.A NH1 TYR 168.A OH no hydrogen 2.566 N/A ASP 178.A N GLY 238.A O no hydrogen 2.936 N/A PHE 182.A N LYS 179.A O no hydrogen 3.249 N/A ASN 184.A ND2 TYR 146.A OH no hydrogen 3.345 N/A ASN 184.A ND2 TYR 168.A O no hydrogen 3.061 N/A LEU 185.A N PHE 182.A O no hydrogen 2.951 N/A LYS 186.A N VAL 243.A O no hydrogen 2.875 N/A LYS 186.A NZ LYS 245.A O no hydrogen 2.710 N/A LYS 186.A NZ PHE 247.A O no hydrogen 2.712 N/A LEU 188.A N LEU 241.A O no hydrogen 2.878 N/A TYR 192.A N THR 205.A O no hydrogen 2.785 N/A TYR 193.A OH THR 255.A OG1 no hydrogen 2.752 N/A SER 194.A N ILE 207.A O no hydrogen 3.075 N/A SER 194.A OG SER 196.A OG no hydrogen 2.851 N/A SER 194.A OG HIS 220.A NE2 no hydrogen 3.131 N/A SER 196.A N SER 194.A OG no hydrogen 3.247 N/A SER 196.A OG SER 194.A OG no hydrogen 2.851 N/A SER 196.A OG HIS 220.A NE2 no hydrogen 3.047 N/A CYS 198.A SG HIS 220.A ND1 no hydrogen 3.560 N/A SER 203.A OG TYR 224.A OH no hydrogen 3.390 N/A THR 205.A OG1 TYR 224.A OH no hydrogen 2.998 N/A CYS 206.A SG.A THR 208.A OG1 no hydrogen 3.516 N/A ILE 207.A N TYR 192.A O no hydrogen 2.676 N/A CYS 210.A SG THR 208.A OG1 no hydrogen 3.057 N/A CYS 210.A SG HIS 220.A ND1 no hydrogen 3.600 N/A ASN 211.A N THR 208.A O no hydrogen 2.938 N/A ASN 211.A ND2 SER 203.A O no hydrogen 3.090 N/A ASN 211.A ND2 CYS 206.A O no hydrogen 2.985 N/A LEU 212.A N ARG 209.A O no hydrogen 3.158 N/A GLY 214.A N ASN 211.A O no hydrogen 3.108 N/A CYS 217.A SG HIS 220.A ND1 no hydrogen 3.292 N/A HIS 219.A N GLU 199.A O no hydrogen 3.309 N/A HIS 220.A NE2 SER 196.A OG no hydrogen 3.047 N/A ALA 221.A N CYS 217.A O no hydrogen 2.958 N/A ASN 222.A N ARG 218.A O no hydrogen 2.970 N/A GLU 223.A N HIS 219.A O no hydrogen 2.837 N/A TYR 224.A N HIS 220.A O no hydrogen 2.553 N/A TYR 224.A OH THR 205.A OG1 no hydrogen 2.998 N/A ARG 225.A N ALA 221.A O no hydrogen 2.950 N/A LEU 226.A N ASN 222.A O no hydrogen 2.954 N/A TYR 227.A N GLU 223.A O no hydrogen 2.969 N/A LEU 228.A N TYR 224.A O no hydrogen 2.815 N/A ASP 229.A N ARG 225.A O no hydrogen 3.072 N/A ALA 230.A N LEU 226.A O no hydrogen 3.081 N/A TYR 231.A N TYR 227.A O no hydrogen 2.942 N/A ASN 232.A N LEU 228.A O no hydrogen 2.812 N/A MET 233.A N ASP 229.A O no hydrogen 3.002 N/A MET 234.A N ALA 230.A O no hydrogen 3.115 N/A ILE 235.A N TYR 231.A O no hydrogen 2.886 N/A SER 236.A N ASN 232.A O no hydrogen 2.794 N/A ALA 237.A N MET 233.A O no hydrogen 3.197 N/A ALA 237.A N MET 234.A O no hydrogen 3.232 N/A GLY 238.A N ILE 235.A O no hydrogen 2.911 N/A PHE 239.A N MET 234.A O no hydrogen 3.200 N/A SER 240.A N ARG 176.A O no hydrogen 2.963 N/A TRP 242.A N VAL 174.A O no hydrogen 2.977 N/A TRP 242.A NE1 SER 240.A OG no hydrogen 3.203 N/A VAL 243.A N LYS 186.A O no hydrogen 2.739 N/A TYR 244.A OH ASP 100.A OD2 no hydrogen 2.877 N/A LYS 245.A NZ VAL 183.A O no hydrogen 3.423 N/A GLN 246.A N GLN 246.A OE1 no hydrogen 2.682 N/A PHE 247.A N TYR 244.A O no hydrogen 2.931 N/A TYR 250.A N ASP 248.A OD1 no hydrogen 2.992 N/A ASN 251.A N ASP 248.A O no hydrogen 2.989 N/A LEU 252.A N THR 249.A O no hydrogen 2.774 N/A TRP 253.A N THR 249.A O no hydrogen 3.189 N/A ASN 254.A N TYR 250.A O no hydrogen 3.021 N/A THR 255.A N LEU 252.A O no hydrogen 3.061 N/A THR 255.A OG1 TYR 193.A OH no hydrogen 2.752 N/A THR 255.A OG1 LEU 252.A O no hydrogen 2.528 N/A PHE 256.A N TRP 253.A O no hydrogen 3.319 N/A