Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2f53_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 264.A OE2 no hydrogen 3.566 N/A HIS 3.A N VAL 103.A O no hydrogen 3.018 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.556 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.915 N/A MET 5.A N CYS 101.A O no hydrogen 2.955 N/A ARG 6.A N TYR 27.A O no hydrogen 2.881 N/A ARG 6.A NE TYR 113.A OH.A no hydrogen 2.341 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 3.463 N/A TYR 7.A N TYR 99.A O no hydrogen 2.944 N/A PHE 8.A N VAL 25.A O no hydrogen 2.794 N/A PHE 9.A N ARG 97.A O no hydrogen 2.858 N/A THR 10.A N ILE 23.A O no hydrogen 2.825 N/A SER 11.A N VAL 95.A O no hydrogen 2.908 N/A VAL 12.A N ARG 21.A O no hydrogen 3.103 N/A SER 13.A N HIS 93.A O no hydrogen 2.958 N/A SER 13.A OG HIS 93.A O no hydrogen 3.536 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.998 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.890 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.023 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.052 N/A ARG 17.A N ARG 14.A O no hydrogen 3.198 N/A ARG 21.A N VAL 12.A O no hydrogen 2.921 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.797 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.456 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.048 N/A PHE 22.A N SER 38.A OG no hydrogen 2.723 N/A ILE 23.A N THR 10.A O no hydrogen 2.927 N/A ALA 24.A N PHE 36.A O no hydrogen 2.869 N/A VAL 25.A N PHE 8.A O no hydrogen 2.899 N/A GLY 26.A N VAL 34.A O no hydrogen 3.217 N/A TYR 27.A N ARG 6.A O no hydrogen 2.784 N/A VAL 28.A N THR 31.A O no hydrogen 2.836 N/A ASP 29.A N SER 4.A O no hydrogen 2.901 N/A THR 31.A N VAL 28.A O no hydrogen 2.833 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.626 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.231 N/A PHE 33.A N GLY 26.A O no hydrogen 2.803 N/A ARG 35.A N GLU 46.A O no hydrogen 2.946 N/A ARG 35.A NE GLU 46.A OE1 no hydrogen 3.151 N/A ARG 35.A NH2 GLU 46.A OE1 no hydrogen 3.198 N/A PHE 36.A N ALA 24.A O no hydrogen 2.848 N/A SER 38.A N PHE 22.A O no hydrogen 2.836 N/A SER 38.A OG PHE 22.A O no hydrogen 3.296 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.945 N/A ALA 40.A N ASP 37.A O no hydrogen 3.150 N/A SER 42.A OG GLU 46.A OE2 no hydrogen 2.938 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 3.416 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.873 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.981 N/A GLU 46.A N ARG 35.A O no hydrogen 2.819 N/A ARG 48.A N PHE 33.A O no hydrogen 2.806 N/A GLU 53.A N PRO 50.A O no hydrogen 3.050 N/A GLN 54.A N TRP 51.A O no hydrogen 3.287 N/A GLU 55.A N ILE 52.A O no hydrogen 2.932 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.605 N/A TRP 60.A N GLY 56.A O no hydrogen 3.315 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.108 N/A ASP 61.A N PRO 57.A O no hydrogen 2.884 N/A GLY 62.A N GLU 58.A O no hydrogen 2.916 N/A GLU 63.A N TYR 59.A O no hydrogen 2.873 N/A THR 64.A N TRP 60.A O no hydrogen 2.935 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.677 N/A ARG 65.A N ASP 61.A O no hydrogen 3.076 N/A LYS 66.A N GLY 62.A O no hydrogen 2.998 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.643 N/A VAL 67.A N GLU 63.A O no hydrogen 2.947 N/A LYS 68.A N THR 64.A O no hydrogen 3.113 N/A LYS 68.A NZ GLN 43.A O no hydrogen 3.125 N/A ALA 69.A N ARG 65.A O no hydrogen 3.034 N/A HIS 70.A N LYS 66.A O no hydrogen 2.979 N/A SER 71.A N VAL 67.A O no hydrogen 3.027 N/A SER 71.A OG LYS 68.A O no hydrogen 2.492 N/A GLN 72.A N LYS 68.A O no hydrogen 2.988 N/A THR 73.A N ALA 69.A O no hydrogen 2.997 N/A THR 73.A OG1 ALA 69.A O no hydrogen 3.222 N/A HIS 74.A N HIS 70.A O no hydrogen 2.950 N/A HIS 74.A ND1 HIS 70.A O no hydrogen 3.079 N/A ARG 75.A N SER 71.A O no hydrogen 2.868 N/A ARG 75.A NH2 GLU 19.A OE2 no hydrogen 3.117 N/A VAL 76.A N GLN 72.A O no hydrogen 3.147 N/A ASP 77.A N THR 73.A O no hydrogen 2.939 N/A LEU 78.A N HIS 74.A O no hydrogen 2.990 N/A THR 80.A N VAL 76.A O no hydrogen 3.099 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.222 N/A LEU 81.A N ASP 77.A O no hydrogen 2.910 N/A ARG 82.A N LEU 78.A O no hydrogen 3.119 N/A GLY 83.A N GLY 79.A O no hydrogen 3.103 N/A TYR 84.A N THR 80.A O no hydrogen 2.963 N/A TYR 85.A N LEU 81.A O no hydrogen 3.090 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.828 N/A ASN 86.A N GLY 83.A O no hydrogen 2.975 N/A ASN 86.A ND2 GLY 83.A O no hydrogen 2.820 N/A GLN 87.A N ARG 82.A O no hydrogen 2.947 N/A ALA 90.A N SER 88.A OG no hydrogen 3.202 N/A SER 92.A OG SER 13.A O no hydrogen 2.633 N/A HIS 93.A N SER 13.A OG no hydrogen 2.982 N/A THR 94.A N ASP 119.A OD2 no hydrogen 3.025 N/A VAL 95.A N SER 11.A O no hydrogen 2.825 N/A GLN 96.A N ALA 117.A O no hydrogen 3.058 N/A ARG 97.A N PHE 9.A O no hydrogen 3.038 N/A ARG 97.A NH1 HIS 114.A NE2 no hydrogen 2.907 N/A MET 98.A N GLN 115.A O no hydrogen 2.988 N/A TYR 99.A N TYR 7.A O no hydrogen 3.164 N/A GLY 100.A N TYR 113.A O no hydrogen 3.154 N/A CYS 101.A N MET 5.A O no hydrogen 2.999 N/A ASP 102.A N ARG 111.A O no hydrogen 2.930 N/A VAL 103.A N HIS 3.A O no hydrogen 2.771 N/A GLY 104.A N ARG 108.A O no hydrogen 2.916 N/A TRP 107.A N GLY 104.A O no hydrogen 2.890 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.193 N/A LEU 110.A N ASP 102.A O no hydrogen 2.871 N/A ARG 111.A N ASP 102.A O no hydrogen 3.362 N/A ARG 111.A NH1 ASP 102.A OD2 no hydrogen 3.087 N/A TYR 113.A N GLY 100.A O no hydrogen 3.035 N/A TYR 113.A OH.A ASP 102.A OD1 no hydrogen 2.655 N/A TYR 113.A OH.B ASP 102.A OD2 no hydrogen 3.028 N/A GLN 115.A N MET 98.A O no hydrogen 2.846 N/A TYR 116.A N ILE 124.A O no hydrogen 2.893 N/A TYR 116.A OH ASP 77.A OD2 no hydrogen 2.871 N/A ALA 117.A N GLN 96.A O no hydrogen 2.861 N/A TYR 118.A N LYS 121.A O no hydrogen 3.033 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.593 N/A ASP 119.A N THR 94.A O no hydrogen 2.718 N/A LYS 121.A N TYR 118.A O no hydrogen 3.164 N/A TYR 123.A N TYR 116.A O no hydrogen 2.901 N/A TYR 123.A OH ALA 139.A O no hydrogen 3.267 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.638 N/A ILE 124.A N TYR 116.A O no hydrogen 3.170 N/A ALA 125.A N THR 134.A O no hydrogen 2.994 N/A LEU 126.A N HIS 114.A O no hydrogen 2.894 N/A LYS 127.A N SER 132.A O no hydrogen 2.868 N/A LYS 127.A NZ THR 134.A OG1 no hydrogen 2.444 N/A LEU 130.A N LYS 127.A O no hydrogen 2.794 N/A ARG 131.A N ASP 129.A OD2 no hydrogen 2.690 N/A SER 132.A N ASP 129.A OD2 no hydrogen 3.038 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 2.861 N/A THR 134.A N ALA 125.A O no hydrogen 2.917 N/A ALA 136.A N TYR 123.A O no hydrogen 2.941 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.915 N/A GLN 141.A N MET 138.A O no hydrogen 2.926 N/A THR 142.A N ALA 139.A O no hydrogen 3.052 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.638 N/A LYS 144.A N ALA 140.A O no hydrogen 2.894 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.312 N/A HIS 145.A N GLN 141.A O no hydrogen 2.988 N/A LYS 146.A N THR 142.A O no hydrogen 3.191 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.900 N/A TRP 147.A N THR 143.A O no hydrogen 2.887 N/A GLU 148.A N LYS 144.A O no hydrogen 2.991 N/A ALA 149.A N HIS 145.A O no hydrogen 2.989 N/A ALA 150.A N LYS 146.A O no hydrogen 2.971 N/A HIS 151.A N GLU 148.A O no hydrogen 3.050 N/A HIS 151.A ND1 GLU 154.A OE1 no hydrogen 2.535 N/A VAL 152.A N TRP 147.A O no hydrogen 2.925 N/A GLU 154.A N HIS 151.A O no hydrogen 3.221 N/A GLN 155.A N HIS 151.A O no hydrogen 3.306 N/A GLN 155.A NE2 ALA 150.A O no hydrogen 2.806 N/A LEU 156.A N VAL 152.A O no hydrogen 2.884 N/A ARG 157.A N ALA 153.A O no hydrogen 2.763 N/A ARG 157.A NE GLU 161.A OE1 no hydrogen 3.158 N/A ALA 158.A N GLU 154.A O no hydrogen 3.242 N/A LEU 160.A N LEU 156.A O no hydrogen 2.875 N/A GLU 161.A N ARG 157.A O no hydrogen 3.098 N/A GLY 162.A N ALA 158.A O no hydrogen 3.147 N/A CYS 164.A N TYR 159.A O no hydrogen 2.772 N/A GLU 166.A N GLY 162.A O no hydrogen 2.953 N/A TRP 167.A N THR 163.A O no hydrogen 2.949 N/A LEU 168.A N CYS 164.A O no hydrogen 3.086 N/A ARG 169.A N VAL 165.A O no hydrogen 3.082 N/A ARG 169.A NE TRP 107.A O no hydrogen 2.885 N/A ARG 169.A NH2 TRP 107.A O no hydrogen 2.844 N/A ARG 170.A N GLU 166.A O no hydrogen 3.138 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 2.847 N/A TYR 171.A N TRP 167.A O no hydrogen 2.914 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.605 N/A LEU 172.A N LEU 168.A O no hydrogen 2.904 N/A GLU 173.A N ARG 169.A O no hydrogen 3.115 N/A ASN 174.A N ARG 170.A O no hydrogen 2.867 N/A GLY 175.A N TYR 171.A O no hydrogen 2.762 N/A LYS 176.A N GLU 173.A O no hydrogen 3.408 N/A THR 178.A N GLY 175.A O no hydrogen 3.101 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.495 N/A LEU 179.A N GLY 175.A O no hydrogen 2.743 N/A GLN 180.A N LYS 176.A O no hydrogen 3.068 N/A ARG 181.A N THR 178.A O no hydrogen 3.184 N/A ARG 181.A NE THR 178.A O no hydrogen 2.930 N/A LYS 186.A N LEU 206.A O no hydrogen 2.894 N/A HIS 188.A N TRP 204.A O no hydrogen 3.385 N/A THR 190.A N ARG 202.A O no hydrogen 2.970 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 3.115 N/A HIS 192.A N THR 200.A O no hydrogen 3.030 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 3.115 N/A SER 195.A OG VAL 194.A O no hydrogen 2.205 N/A SER 195.A OG ASP 196.A O no hydrogen 3.430 N/A ALA 199.A N VAL 249.A O no hydrogen 2.886 N/A THR 200.A N HIS 192.A O no hydrogen 2.773 N/A LEU 201.A N VAL 247.A O no hydrogen 3.014 N/A ARG 202.A N THR 190.A O no hydrogen 3.172 N/A CYS 203.A N ALA 245.A O no hydrogen 2.815 N/A TRP 204.A N HIS 188.A O no hydrogen 2.950 N/A ALA 205.A N LYS 243.A O no hydrogen 2.981 N/A LEU 206.A N LYS 186.A O no hydrogen 2.915 N/A PHE 208.A N PHE 241.A O no hydrogen 3.307 N/A TYR 209.A N ASP 183.A O no hydrogen 3.107 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.626 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.889 N/A THR 214.A N GLN 262.A O no hydrogen 3.022 N/A THR 216.A N HIS 260.A O no hydrogen 2.915 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 3.097 N/A GLN 218.A N THR 258.A O no hydrogen 2.908 N/A GLN 218.A NE2 ASP 223.A OD2 no hydrogen 3.529 N/A ARG 219.A N GLU 222.A O no hydrogen 2.891 N/A ASP 220.A N ARG 256.A O no hydrogen 2.897 N/A GLU 222.A N ARG 219.A O no hydrogen 2.942 N/A GLN 224.A N TRP 217.A O no hydrogen 2.896 N/A ASP 227.A N GLN 224.A O no hydrogen 3.091 N/A THR 228.A OG1 GLN 224.A O no hydrogen 3.554 N/A THR 228.A OG1 THR 225.A O no hydrogen 3.224 N/A GLU 229.A N ALA 246.A O no hydrogen 2.687 N/A VAL 231.A N TRP 244.A O no hydrogen 3.298 N/A ARG 234.A N GLN 242.A O no hydrogen 2.867 N/A ALA 236.A N THR 240.A O no hydrogen 2.881 N/A THR 240.A N ASP 238.A OD1 no hydrogen 2.982 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.600 N/A PHE 241.A N PHE 208.A O no hydrogen 2.813 N/A GLN 242.A N ARG 234.A O no hydrogen 2.843 N/A LYS 243.A N ALA 205.A O no hydrogen 3.114 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.588 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.017 N/A ALA 245.A N CYS 203.A O no hydrogen 2.969 N/A ALA 246.A N GLU 229.A O no hydrogen 2.637 N/A VAL 247.A N LEU 201.A O no hydrogen 3.026 N/A VAL 249.A N ALA 199.A O no hydrogen 2.925 N/A SER 251.A N HIS 197.A O no hydrogen 2.446 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 2.999 N/A GLY 252.A N GLU 254.A OE2 no hydrogen 3.463 N/A GLN 253.A N PRO 250.A O no hydrogen 3.136 N/A ARG 256.A N GLN 253.A O no hydrogen 3.186 N/A ARG 256.A NE ASP 220.A OD2 no hydrogen 3.255 N/A ARG 256.A NH2 ASP 220.A OD1 no hydrogen 3.365 N/A ARG 256.A NH2 ASP 220.A OD2 no hydrogen 3.524 N/A TYR 257.A N GLU 254.A O no hydrogen 3.221 N/A THR 258.A N GLN 218.A O no hydrogen 3.073 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.713 N/A CYS 259.A N LEU 272.A O no hydrogen 2.877 N/A CYS 259.A SG THR 216.A O no hydrogen 4.002 N/A HIS 260.A N THR 216.A O no hydrogen 2.649 N/A HIS 260.A NE2 THR 258.A OG1 no hydrogen 2.713 N/A VAL 261.A N LEU 270.A O no hydrogen 2.851 N/A GLN 262.A N THR 214.A O no hydrogen 2.859 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.793 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.003 N/A LEU 266.A N HIS 263.A O no hydrogen 3.219 N/A LEU 270.A N VAL 261.A O no hydrogen 2.956 N/A THR 271.A OG1 HIS 260.A ND1 no hydrogen 3.296 N/A LEU 272.A N CYS 259.A O no hydrogen 2.743 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 2.640 N/A