Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5d63_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 57.A OD1 no hydrogen 2.595 N/A ARG 3.A NH2 GLU 161.A OE1.B no hydrogen 3.286 N/A ARG 4.A NE GLU 50.A OE1.A no hydrogen 3.353 N/A ARG 4.A NE GLU 50.A OE1.B no hydrogen 2.768 N/A ARG 4.A NE GLU 50.A OE2.A no hydrogen 2.712 N/A ARG 4.A NH1 GLY 237.A O no hydrogen 3.078 N/A ARG 4.A NH2 GLU 50.A OE1.A no hydrogen 2.967 N/A ARG 4.A NH2 GLU 50.A OE2.B no hydrogen 2.597 N/A ARG 4.A NH2 GLY 237.A O no hydrogen 2.747 N/A GLY 5.A N ALA 49.A O no hydrogen 3.322 N/A ILE 6.A N SER 156.A OG no hydrogen 2.962 N/A TYR 7.A N TRP 47.A O no hydrogen 2.768 N/A TYR 7.A OH ARG 3.A O no hydrogen 2.603 N/A HIS 8.A N ASN 153.A O no hydrogen 2.894 N/A HIS 8.A NE2 GLN 45.A OE1 no hydrogen 2.877 N/A GLU 10.A N TYR 151.A O no hydrogen 2.911 N/A ASN 11.A N SER 16.A O no hydrogen 2.806 N/A ASN 11.A ND2 PRO 146.A O no hydrogen 2.951 N/A ASN 11.A ND2 HIS 147.A O no hydrogen 3.653 N/A ALA 12.A N LYS 149.A O no hydrogen 2.868 N/A GLY 13.A N ASN 11.A OD1 no hydrogen 2.815 N/A VAL 14.A N ASN 11.A OD1 no hydrogen 3.115 N/A SER 16.A N VAL 14.A O no hydrogen 2.795 N/A ALA 17.A N TRP 34.A O no hydrogen 2.889 N/A ILE 18.A N ILE 9.A O no hydrogen 2.818 N/A ASP 19.A N VAL 32.A O no hydrogen 2.845 N/A LEU 20.A N HIS 44.A O no hydrogen 3.088 N/A LYS 21.A N PRO 30.A O no hydrogen 2.985 N/A GLY 23.A N LEU 20.A O no hydrogen 2.856 N/A SER 24.A N LYS 21.A O no hydrogen 3.186 N/A SER 24.A OG THR 29.A OG1 no hydrogen 3.390 N/A SER 25.A OG.B SER 66.A O no hydrogen 3.083 N/A SER 26.A N SER 24.A OG no hydrogen 3.089 N/A SER 26.A OG SER 24.A OG no hydrogen 3.243 N/A GLY 28.A N GLY 85.A O no hydrogen 2.942 N/A THR 29.A N SER 26.A O no hydrogen 3.304 N/A THR 29.A OG1 SER 24.A O no hydrogen 3.393 N/A THR 29.A OG1 SER 24.A OG no hydrogen 3.390 N/A THR 29.A OG1 SER 26.A O no hydrogen 2.721 N/A ILE 31.A N VAL 83.A O no hydrogen 3.067 N/A VAL 32.A N ASP 19.A O no hydrogen 2.804 N/A GLY 33.A N ALA 132.A O no hydrogen 2.853 N/A TRP 34.A N ALA 17.A O no hydrogen 3.075 N/A GLN 35.A N ASP 130.A OD1 no hydrogen 2.908 N/A GLN 35.A NE2 ASP 130.A OD2 no hydrogen 2.805 N/A THR 37.A N ASN 42.A OD1 no hydrogen 3.181 N/A THR 40.A OG1 THR 37.A O no hydrogen 2.789 N/A ASN 42.A ND2 THR 37.A O no hydrogen 3.092 N/A GLN 45.A N ASN 42.A O no hydrogen 3.043 N/A GLN 45.A NE2 ASP 19.A OD2 no hydrogen 2.922 N/A GLN 45.A NE2 GLN 35.A O no hydrogen 3.246 N/A TRP 47.A N TYR 7.A O no hydrogen 2.922 N/A TRP 47.A NE1 ILE 18.A O no hydrogen 3.031 N/A LEU 48.A N CYS 62.A O no hydrogen 2.784 N/A ALA 49.A N GLY 5.A O no hydrogen 2.840 N/A GLU 50.A N THR 60.A O no hydrogen 3.101 N/A ILE 52.A N THR 58.A O no hydrogen 2.875 N/A VAL 55.A N.A ILE 52.A O no hydrogen 3.286 N/A VAL 55.A N.B ILE 52.A O no hydrogen 3.344 N/A THR 58.A N VAL 55.A O.A no hydrogen 3.280 N/A THR 58.A OG1 ALA 56.A O no hydrogen 2.899 N/A THR 58.A OG1 THR 100.A OG1 no hydrogen 2.838 N/A PHE 59.A N TRP 99.A O no hydrogen 2.809 N/A THR 60.A N GLU 50.A O no hydrogen 3.170 N/A THR 60.A OG1 ALA 90.A O no hydrogen 2.762 N/A CYS 62.A N LEU 48.A O no hydrogen 2.975 N/A CYS 62.A SG ASN 63.A O no hydrogen 3.833 N/A CYS 62.A SG THR 68.A O no hydrogen 3.866 N/A ASN 63.A N THR 68.A O no hydrogen 2.821 N/A ASN 63.A ND2 HIS 44.A O no hydrogen 3.133 N/A LEU 64.A N LEU 46.A O no hydrogen 2.843 N/A PHE 65.A N ASN 63.A OD1 no hydrogen 3.165 N/A SER 66.A N ASN 63.A OD1 no hydrogen 3.181 N/A SER 66.A OG THR 68.A OG1 no hydrogen 2.719 N/A GLY 67.A N ASN 63.A O no hydrogen 2.820 N/A THR 68.A N SER 66.A OG no hydrogen 2.953 N/A THR 68.A OG1 SER 66.A OG no hydrogen 2.719 N/A TYR 69.A N TRP 86.A O no hydrogen 2.769 N/A MET 70.A N LEU 61.A O no hydrogen 2.859 N/A ASP 71.A N ASN 84.A O no hydrogen 2.758 N/A LEU 72.A N HIS 96.A O no hydrogen 2.839 N/A TYR 73.A N ALA 82.A O no hydrogen 3.029 N/A GLY 75.A N LEU 72.A O no hydrogen 2.858 N/A SER 76.A N TYR 73.A O no hydrogen 3.358 N/A GLU 78.A N SER 76.A OG no hydrogen 3.106 N/A GLY 80.A N GLY 136.A O no hydrogen 2.807 N/A THR 81.A N GLU 78.A O no hydrogen 3.292 N/A THR 81.A OG1 SER 76.A O no hydrogen 3.559 N/A THR 81.A OG1 GLU 78.A O no hydrogen 2.653 N/A ASN 84.A N ASP 71.A O no hydrogen 2.967 N/A GLY 85.A N THR 29.A O no hydrogen 2.790 N/A TRP 86.A N TYR 69.A O no hydrogen 2.896 N/A GLN 87.A N ASP 27.A OD1 no hydrogen 2.819 N/A GLN 87.A NE2 ASP 27.A OD2 no hydrogen 2.817 N/A THR 92.A N THR 89.A O no hydrogen 3.348 N/A ASN 94.A N THR 92.A OG1 no hydrogen 2.982 N/A HIS 96.A N ASN 94.A OD1 no hydrogen 2.899 N/A GLN 97.A N ASN 94.A O no hydrogen 2.964 N/A GLN 97.A NE2 ASP 71.A OD2 no hydrogen 2.977 N/A GLN 97.A NE2 GLN 87.A O no hydrogen 2.927 N/A LEU 98.A N PRO 95.A O no hydrogen 3.295 N/A TRP 99.A N PHE 59.A O no hydrogen 2.899 N/A TRP 99.A NE1 MET 70.A O no hydrogen 2.935 N/A THR 100.A N GLN 113.A O no hydrogen 2.698 N/A THR 100.A OG1 THR 58.A OG1 no hydrogen 2.838 N/A ILE 101.A N ASP 57.A O no hydrogen 2.928 N/A LYS 102.A N LYS 111.A O no hydrogen 3.255 N/A LYS 103.A NZ GLY 107.A O no hydrogen 2.857 N/A SER 104.A N SER 109.A O no hydrogen 2.842 N/A SER 104.A OG SER 109.A O no hydrogen 3.207 N/A SER 104.A OG SER 109.A OG no hydrogen 2.935 N/A SER 105.A OG ASP 142.A O no hydrogen 2.800 N/A ASP 106.A N SER 104.A OG no hydrogen 3.082 N/A GLY 107.A N SER 104.A O no hydrogen 3.065 N/A THR 108.A N ASP 106.A OD1 no hydrogen 2.784 N/A THR 108.A OG1.A ASP 106.A O no hydrogen 3.514 N/A THR 108.A OG1.B ASP 106.A OD1 no hydrogen 2.933 N/A SER 109.A N ASP 106.A OD1 no hydrogen 2.789 N/A SER 109.A OG SER 104.A OG no hydrogen 2.935 N/A SER 109.A OG ASP 106.A OD1 no hydrogen 3.060 N/A SER 109.A OG ASP 106.A OD2 no hydrogen 2.551 N/A TYR 110.A N TRP 150.A O no hydrogen 2.695 N/A LYS 111.A N LYS 102.A O no hydrogen 2.901 N/A LYS 111.A NZ THR 140.A O no hydrogen 2.831 N/A LYS 111.A NZ GLN 148.A OE1 no hydrogen 2.753 N/A GLN 113.A N THR 100.A O no hydrogen 2.868 N/A GLN 113.A NE2 LYS 118.A O no hydrogen 3.085 N/A ASN 114.A N THR 119.A O no hydrogen 2.799 N/A ASN 114.A ND2 PRO 95.A O no hydrogen 2.901 N/A ASN 114.A ND2 HIS 96.A O no hydrogen 3.343 N/A TYR 115.A N LEU 98.A O no hydrogen 2.870 N/A SER 117.A N ASN 114.A OD1 no hydrogen 2.859 N/A SER 117.A OG ASN 114.A OD1 no hydrogen 3.479 N/A SER 117.A OG THR 119.A OG1 no hydrogen 2.737 N/A LYS 118.A N ASN 114.A O no hydrogen 2.924 N/A LYS 118.A NZ TYR 115.A O no hydrogen 2.845 N/A THR 119.A N SER 117.A OG no hydrogen 3.014 N/A THR 119.A OG1 SER 117.A OG no hydrogen 2.737 N/A PHE 120.A N TRP 137.A O no hydrogen 2.838 N/A VAL 121.A N ILE 112.A O no hydrogen 2.844 N/A ASP 122.A N ALA 135.A O no hydrogen 2.839 N/A LEU 123.A N HIS 147.A O no hydrogen 2.773 N/A VAL 124.A N LYS 133.A O no hydrogen 3.096 N/A GLY 126.A N LEU 123.A O no hydrogen 2.880 N/A ASP 127.A N VAL 124.A O no hydrogen 3.216 N/A SER 129.A N ASP 127.A OD1 no hydrogen 2.859 N/A SER 129.A OG.A ASP 127.A OD1 no hydrogen 2.986 N/A SER 129.A OG.A ASP 127.A OD2 no hydrogen 3.376 N/A SER 129.A OG.B ASP 127.A OD1 no hydrogen 2.674 N/A GLY 131.A N GLY 33.A O no hydrogen 2.871 N/A ALA 132.A N SER 129.A O no hydrogen 3.227 N/A LYS 133.A NZ.A GLY 80.A O no hydrogen 3.393 N/A ALA 135.A N ASP 122.A O no hydrogen 3.007 N/A GLY 136.A N THR 81.A O no hydrogen 2.781 N/A TRP 137.A N PHE 120.A O no hydrogen 2.862 N/A THR 140.A N GLU 143.A OE2 no hydrogen 2.971 N/A THR 140.A OG1 ASP 142.A OD1 no hydrogen 3.354 N/A GLU 143.A N THR 140.A OG1 no hydrogen 3.263 N/A HIS 147.A N ASN 145.A OD1 no hydrogen 2.965 N/A GLN 148.A N ASN 145.A O no hydrogen 3.296 N/A GLN 148.A NE2 ASP 122.A OD2 no hydrogen 2.888 N/A GLN 148.A NE2 THR 138.A O no hydrogen 2.896 N/A LYS 149.A N PRO 146.A O no hydrogen 3.217 N/A LYS 149.A NZ ASP 106.A OD2 no hydrogen 3.213 N/A LYS 149.A NZ GLY 144.A O no hydrogen 3.266 N/A TRP 150.A N TYR 110.A O no hydrogen 2.923 N/A TRP 150.A NE1 VAL 121.A O no hydrogen 3.089 N/A TYR 151.A N GLU 10.A O no hydrogen 2.749 N/A ASN 153.A N HIS 8.A O no hydrogen 2.867 N/A ARG 154.A NH1 ARG 4.A O no hydrogen 3.017 N/A ARG 154.A NH1 TYR 7.A OH no hydrogen 3.090 N/A ARG 154.A NH2 GLU 161.A OE1.A no hydrogen 2.987 N/A ARG 154.A NH2 GLU 161.A OE2.B no hydrogen 2.807 N/A ARG 154.A NH2 GLU 184.A OE2 no hydrogen 2.924 N/A MET 155.A N ILE 6.A O no hydrogen 2.821 N/A SER 156.A OG GLU 184.A OE2 no hydrogen 2.537 N/A VAL 157.A N TYR 185.A O no hydrogen 2.874 N/A SER 158.A N GLU 161.A OE1.A no hydrogen 2.938 N/A SER 158.A N GLU 161.A OE2.B no hydrogen 2.948 N/A SER 158.A OG GLU 161.A OE2.B no hydrogen 3.311 N/A SER 159.A N GLY 183.A O no hydrogen 2.975 N/A GLU 161.A N SER 158.A OG no hydrogen 3.032 N/A ALA 162.A N SER 158.A O no hydrogen 3.036 N/A GLN 163.A N SER 159.A O no hydrogen 2.933 N/A ALA 164.A N ALA 160.A O no hydrogen 2.989 N/A ALA 165.A N GLU 161.A O no hydrogen 3.060 N/A ILE 166.A N ALA 162.A O no hydrogen 3.038 N/A ALA 167.A N GLN 163.A O no hydrogen 2.984 N/A ARG 168.A N ALA 164.A O no hydrogen 3.150 N/A ARG 168.A NH1 ALA 267.A O no hydrogen 2.569 N/A ASN 169.A N ILE 166.A O no hydrogen 2.945 N/A HIS 171.A N ASN 169.A OD1 no hydrogen 2.876 N/A HIS 173.A N SER 287.A O no hydrogen 2.804 N/A HIS 173.A ND1 THR 175.A OG1 no hydrogen 2.803 N/A THR 175.A N HIS 173.A ND1 no hydrogen 3.184 N/A THR 175.A OG1 HIS 173.A ND1 no hydrogen 2.803 N/A TYR 176.A N HIS 173.A O no hydrogen 3.052 N/A ARG 177.A N TYR 288.A O no hydrogen 3.036 N/A TYR 179.A N ALA 290.A O no hydrogen 2.707 N/A LEU 181.A N TYR 292.A OXT no hydrogen 2.745 N/A ASP 182.A N TYR 185.A OH no hydrogen 3.081 N/A TYR 185.A N VAL 157.A O no hydrogen 2.800 N/A TYR 185.A OH TYR 292.A O no hydrogen 2.875 N/A LEU 186.A N ALA 239.A O no hydrogen 2.807 N/A VAL 187.A N MET 155.A O no hydrogen 3.048 N/A THR 192.A N PRO 189.A O no hydrogen 2.909 N/A PHE 193.A N PRO 189.A O no hydrogen 3.004 N/A THR 194.A N ASN 190.A O no hydrogen 2.846 N/A THR 194.A OG1 ASN 190.A O no hydrogen 3.126 N/A THR 194.A OG1 TYR 279.A OH no hydrogen 2.829 N/A GLN 195.A N ALA 191.A O no hydrogen 3.094 N/A GLN 195.A NE2 ASP 199.A OD1 no hydrogen 3.241 N/A GLN 195.A NE2 ASP 199.A OD2 no hydrogen 3.191 N/A ILE 196.A N THR 192.A O no hydrogen 3.006 N/A TRP 197.A N PHE 193.A O no hydrogen 3.049 N/A TRP 197.A NE1 PRO 274.A O no hydrogen 2.819 N/A LYS 198.A N THR 194.A O no hydrogen 2.854 N/A ASP 199.A N GLN 195.A O no hydrogen 2.825 N/A SER 200.A N ILE 196.A O no hydrogen 2.901 N/A SER 200.A N TRP 197.A O no hydrogen 3.202 N/A SER 200.A OG TRP 197.A O no hydrogen 2.594 N/A GLY 201.A N LYS 198.A O no hydrogen 3.298 N/A LEU 202.A N SER 200.A OG no hydrogen 2.955 N/A GLY 204.A N GLY 201.A O no hydrogen 3.090 N/A SER 205.A N LEU 202.A O no hydrogen 2.915 N/A ARG 208.A N TYR 212.A O no hydrogen 2.847 N/A ILE 211.A N GLU 209.A O no hydrogen 2.714 N/A TYR 212.A N ARG 208.A O no hydrogen 3.023 N/A ASP 213.A N ASP 216.A OD2 no hydrogen 3.051 N/A PHE 217.A N ASP 213.A O no hydrogen 3.170 N/A ALA 218.A N CYS 214.A O no hydrogen 3.049 N/A ILE 219.A N ASP 215.A O no hydrogen 3.027 N/A ALA 220.A N ASP 216.A O no hydrogen 2.894 N/A MET 221.A N PHE 217.A O no hydrogen 2.992 N/A LYS 222.A N ALA 218.A O no hydrogen 3.167 N/A LYS 222.A NZ CYS 242.A O no hydrogen 2.939 N/A ALA 223.A N ILE 219.A O no hydrogen 2.977 N/A ALA 224.A N ALA 220.A O no hydrogen 2.916 N/A VAL 225.A N MET 221.A O no hydrogen 2.961 N/A GLY 226.A N LYS 222.A O no hydrogen 2.992 N/A LYS 227.A N ALA 223.A O no hydrogen 2.911 N/A LYS 227.A NZ ASP 231.A OD2 no hydrogen 3.506 N/A TRP 228.A N ALA 224.A O no hydrogen 2.918 N/A GLY 229.A N VAL 225.A O no hydrogen 2.956 N/A ALA 230.A N GLY 226.A O no hydrogen 3.309 N/A ASP 231.A N LYS 227.A O no hydrogen 2.890 N/A SER 232.A OG TRP 228.A O no hydrogen 2.732 N/A TRP 233.A N GLY 229.A O no hydrogen 3.296 N/A LYS 234.A N LEU 64.A O no hydrogen 3.160 N/A LYS 234.A N PHE 65.A O no hydrogen 3.281 N/A LYS 234.A NZ PHE 65.A O no hydrogen 3.211 N/A ALA 235.A N LEU 64.A O no hydrogen 3.102 N/A ALA 239.A N GLU 184.A O no hydrogen 2.790 N/A PHE 241.A N LEU 186.A O no hydrogen 2.892 N/A GLY 243.A N PHE 260.A O no hydrogen 2.930 N/A VAL 244.A N PHE 291.A O no hydrogen 2.910 N/A MET 245.A N TYR 258.A O no hydrogen 2.929 N/A LEU 246.A N MET 289.A O no hydrogen 2.845 N/A GLY 247.A N HIS 256.A O no hydrogen 2.820 N/A VAL 248.A N ASP 286.A O no hydrogen 3.002 N/A ASN 249.A N ALA 254.A O no hydrogen 3.037 N/A ASN 249.A ND2 ASP 253.A OD1 no hydrogen 3.085 N/A LYS 250.A NZ ASP 286.A OD2 no hydrogen 2.886 N/A GLY 252.A N ASN 249.A O no hydrogen 3.119 N/A ASP 253.A N ASN 249.A OD1 no hydrogen 2.896 N/A ALA 254.A N ASN 249.A OD1 no hydrogen 3.110 N/A HIS 256.A N GLY 247.A O no hydrogen 2.891 N/A HIS 256.A NE2 GLU 273.A OE1 no hydrogen 2.756 N/A TYR 258.A N MET 245.A O no hydrogen 2.951 N/A ASN 259.A N PHE 272.A O no hydrogen 3.013 N/A ASN 259.A ND2 ALA 218.A O no hydrogen 3.079 N/A ASN 259.A ND2 GLY 243.A O no hydrogen 3.021 N/A PHE 260.A N GLY 243.A O no hydrogen 3.167 N/A THR 261.A N VAL 270.A O no hydrogen 2.989 N/A LEU 262.A N THR 261.A OG1 no hydrogen 2.860 N/A THR 263.A N ASP 268.A O no hydrogen 2.879 N/A THR 263.A OG1 ASP 265.A OD1 no hydrogen 2.694 N/A THR 263.A OG1 ASP 268.A O no hydrogen 3.265 N/A LYS 264.A NZ ASP 39.A OD1 no hydrogen 3.566 N/A LYS 264.A NZ ASP 39.A OD2 no hydrogen 3.317 N/A HIS 266.A N THR 263.A O no hydrogen 2.852 N/A ALA 267.A N ASP 265.A OD1 no hydrogen 2.985 N/A ASP 268.A N THR 263.A OG1 no hydrogen 3.239 N/A VAL 270.A N THR 261.A O no hydrogen 2.876 N/A PHE 271.A N LEU 280.A O no hydrogen 2.939 N/A PHE 272.A N ASN 259.A O no hydrogen 2.913 N/A GLU 273.A N GLY 278.A O no hydrogen 2.869 N/A GLN 275.A N GLU 273.A OE2 no hydrogen 2.945 N/A ASN 276.A N GLU 273.A O no hydrogen 3.003 N/A GLY 277.A N GLU 273.A O no hydrogen 2.767 N/A GLY 278.A N ASN 276.A OD1 no hydrogen 2.924 N/A TYR 279.A OH THR 194.A OG1 no hydrogen 2.829 N/A LEU 280.A N PHE 271.A O no hydrogen 2.855 N/A GLY 284.A N ASP 282.A OD1 no hydrogen 3.019 N/A ASP 286.A N VAL 248.A O no hydrogen 2.786 N/A SER 287.A N HIS 171.A O no hydrogen 2.993 N/A SER 287.A OG LEU 246.A O no hydrogen 3.440 N/A SER 287.A OG MET 289.A O no hydrogen 3.039 N/A TYR 288.A N LEU 246.A O no hydrogen 2.818 N/A MET 289.A N LEU 246.A O no hydrogen 3.286 N/A ALA 290.A N ARG 177.A O no hydrogen 3.142 N/A PHE 291.A N VAL 244.A O no hydrogen 2.948 N/A TYR 292.A N TYR 179.A O no hydrogen 3.161 N/A