Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jqa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 75.A OD1 no hydrogen 2.709 N/A CYS 4.A SG TYR 2.A O no hydrogen 3.878 N/A VAL 5.A N MET 13.A O no hydrogen 2.811 N/A LYS 6.A NZ GLY 10.A O no hydrogen 3.449 N/A LEU 7.A N HIS 11.A O no hydrogen 2.766 N/A ASN 8.A ND2 PRO 183.A O no hydrogen 3.000 N/A ASN 8.A ND2 ASP 207.A O no hydrogen 3.025 N/A GLY 10.A N LEU 7.A O no hydrogen 2.964 N/A HIS 11.A N ASP 9.A OD1 no hydrogen 3.021 N/A MET 13.A N VAL 5.A O no hydrogen 2.919 N/A VAL 15.A N GLN 3.A O no hydrogen 3.026 N/A GLY 17.A N VAL 264.A O no hydrogen 2.854 N/A PHE 18.A N HIS 45.A O no hydrogen 2.765 N/A GLY 19.A N ALA 266.A O no hydrogen 2.992 N/A THR 20.A OG1 ASP 47.A O no hydrogen 2.723 N/A THR 20.A OG1 SER 48.A OG no hydrogen 3.026 N/A TYR 21.A OH GLU 221.A OE1 no hydrogen 2.475 N/A TYR 21.A OH GLU 221.A OE2 no hydrogen 3.428 N/A GLU 25.A N GLU 25.A OE1 no hydrogen 3.069 N/A VAL 26.A N PRO 23.A O no hydrogen 2.905 N/A LYS 30.A N PRO 27.A O no hydrogen 3.015 N/A ALA 31.A N LYS 28.A O no hydrogen 2.932 N/A LEU 32.A N SER 29.A O no hydrogen 3.244 N/A ALA 34.A N LYS 30.A O no hydrogen 3.090 N/A VAL 35.A N ALA 31.A O no hydrogen 3.030 N/A LYS 36.A N LEU 32.A O no hydrogen 3.176 N/A LEU 37.A N GLU 33.A O no hydrogen 2.983 N/A ALA 38.A N ALA 34.A O no hydrogen 2.870 N/A ILE 39.A N VAL 35.A O no hydrogen 2.987 N/A GLU 40.A N LYS 36.A O no hydrogen 2.939 N/A ALA 41.A N LEU 37.A O no hydrogen 2.875 N/A GLY 42.A N ILE 39.A O no hydrogen 3.080 N/A PHE 43.A N ALA 38.A O no hydrogen 2.924 N/A HIS 44.A ND1 ASP 75.A O no hydrogen 2.707 N/A HIS 45.A ND1 PRO 14.A O no hydrogen 2.844 N/A ILE 46.A N.A PHE 77.A O no hydrogen 2.847 N/A ILE 46.A N.B PHE 77.A O no hydrogen 2.837 N/A ASP 47.A N PHE 18.A O no hydrogen 2.882 N/A SER 48.A N THR 79.A O no hydrogen 2.913 N/A SER 48.A OG THR 20.A OG1 no hydrogen 3.026 N/A SER 48.A OG ASN 54.A OD1 no hydrogen 2.629 N/A HIS 50.A ND1 GLU 55.A OE1.B no hydrogen 3.108 N/A TYR 52.A N ALA 49.A O no hydrogen 3.184 N/A ASN 53.A N HIS 50.A O no hydrogen 3.212 N/A ASN 54.A ND2 THR 20.A OG1 no hydrogen 3.282 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.821 N/A VAL 58.A N ASN 54.A O no hydrogen 2.889 N/A GLY 59.A N GLU 55.A O.A no hydrogen 2.820 N/A GLY 59.A N GLU 55.A O.B no hydrogen 2.876 N/A LEU 60.A N GLU 56.A O no hydrogen 3.053 N/A ALA 61.A N GLN 57.A O no hydrogen 3.079 N/A ILE 62.A N VAL 58.A O no hydrogen 3.075 N/A ARG 63.A N GLY 59.A O no hydrogen 2.783 N/A ARG 63.A NH1 GLN 104.A O no hydrogen 2.906 N/A SER 64.A N LEU 60.A O no hydrogen 2.857 N/A LYS 65.A N ALA 61.A O no hydrogen 3.102 N/A LYS 65.A NZ GLU 40.A OE2 no hydrogen 3.106 N/A ILE 66.A N ILE 62.A O no hydrogen 3.066 N/A ALA 67.A N ARG 63.A O no hydrogen 2.766 N/A ASP 68.A N SER 64.A O no hydrogen 2.884 N/A GLY 69.A N ILE 66.A O no hydrogen 3.078 N/A SER 70.A N ASP 68.A OD1 no hydrogen 2.992 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.538 N/A VAL 71.A N LYS 65.A O no hydrogen 3.065 N/A ARG 73.A NH1 ARG 73.A O no hydrogen 3.027 N/A ARG 73.A NH1 ILE 76.A O no hydrogen 2.858 N/A ARG 73.A NH1 ASP 109.A OD1 no hydrogen 2.971 N/A ARG 73.A NH2 TYR 107.A O no hydrogen 2.872 N/A ARG 73.A NH2 ASP 109.A OD1 no hydrogen 2.909 N/A ASP 75.A N LYS 72.A O no hydrogen 2.861 N/A ILE 76.A N ARG 73.A O no hydrogen 3.056 N/A PHE 77.A N HIS 44.A O no hydrogen 2.753 N/A TYR 78.A N ASP 109.A OD1 no hydrogen 2.837 N/A TYR 78.A OH GLU 55.A OE2.A no hydrogen 2.530 N/A THR 79.A N ILE 46.A O.A no hydrogen 2.977 N/A THR 79.A N ILE 46.A O.B no hydrogen 2.897 N/A SER 80.A N LEU 110.A O no hydrogen 2.974 N/A SER 80.A OG GLU 55.A OE2.A no hydrogen 2.715 N/A LYS 81.A NZ ASP 47.A OD1 no hydrogen 3.454 N/A LYS 81.A NZ ASP 47.A OD2 no hydrogen 2.687 N/A LYS 81.A NZ SER 48.A O no hydrogen 2.914 N/A LYS 81.A NZ TYR 52.A OH no hydrogen 3.068 N/A LEU 82.A N LEU 112.A O no hydrogen 2.765 N/A TRP 83.A NE1 VAL 125.A O no hydrogen 2.741 N/A SER 84.A OG PHE 115.A O no hydrogen 3.254 N/A SER 84.A OG VAL 117.A O no hydrogen 2.786 N/A ASN 85.A ND2 GLY 122.A O no hydrogen 2.739 N/A ASN 85.A ND2 GLU 124.A O no hydrogen 3.437 N/A SER 86.A N TRP 83.A O no hydrogen 3.027 N/A HIS 87.A ND1 SER 118.A OG no hydrogen 2.732 N/A ARG 88.A NE ASP 137.A OD2 no hydrogen 2.826 N/A ARG 88.A NH2 ASP 137.A OD1 no hydrogen 3.049 N/A ARG 88.A NH2 ASP 137.A OD2 no hydrogen 3.275 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.744 N/A LEU 91.A N ARG 88.A O no hydrogen 2.770 N/A VAL 92.A N PRO 89.A O no hydrogen 3.370 N/A ARG 93.A NE GLU 97.A OE2.A no hydrogen 2.942 N/A ARG 93.A NE GLU 97.A OE2.B no hydrogen 2.904 N/A ALA 95.A N LEU 91.A O no hydrogen 3.069 N/A LEU 96.A N VAL 92.A O no hydrogen 3.053 N/A GLU 97.A N.A ARG 93.A O no hydrogen 2.903 N/A GLU 97.A N.B ARG 93.A O no hydrogen 2.902 N/A ARG 98.A N PRO 94.A O no hydrogen 2.893 N/A SER 99.A N ALA 95.A O no hydrogen 2.999 N/A SER 99.A OG GLU 55.A OE1.A no hydrogen 2.626 N/A SER 99.A OG GLU 55.A OE2.B no hydrogen 2.751 N/A LEU 100.A N LEU 96.A O no hydrogen 2.888 N/A LYS 101.A N GLU 97.A O.A no hydrogen 2.961 N/A LYS 101.A N GLU 97.A O.B no hydrogen 2.961 N/A ASN 102.A N ARG 98.A O no hydrogen 3.045 N/A ASN 102.A ND2 GLU 55.A OE1.B no hydrogen 2.938 N/A LEU 103.A N SER 99.A O no hydrogen 2.930 N/A GLN 104.A N LYS 101.A O no hydrogen 3.269 N/A GLN 104.A NE2 LYS 101.A O no hydrogen 2.924 N/A LEU 105.A N LEU 100.A O no hydrogen 3.307 N/A VAL 108.A N LEU 156.A O no hydrogen 2.927 N/A ASP 109.A N TYR 78.A O no hydrogen 2.874 N/A LEU 110.A N TYR 78.A O no hydrogen 3.150 N/A TYR 111.A N SER 159.A O no hydrogen 2.999 N/A LEU 112.A N SER 80.A O no hydrogen 3.067 N/A ILE 113.A N GLY 161.A O no hydrogen 3.040 N/A HIS 114.A N LEU 82.A O no hydrogen 3.088 N/A SER 118.A OG HIS 87.A ND1 no hydrogen 2.732 N/A VAL 119.A N SER 84.A O no hydrogen 3.027 N/A LYS 120.A N LEU 135.A O no hydrogen 2.853 N/A LYS 120.A NZ ASP 137.A OD1 no hydrogen 2.920 N/A ASP 129.A N LYS 133.A O no hydrogen 2.804 N/A ASN 131.A N ASP 129.A OD1 no hydrogen 2.795 N/A GLY 132.A N ASP 129.A O no hydrogen 2.975 N/A LYS 133.A N ASP 129.A OD1 no hydrogen 2.999 N/A LEU 135.A N PRO 127.A O no hydrogen 2.873 N/A PHE 136.A N ILE 134.A O no hydrogen 3.158 N/A ASP 137.A N SER 118.A O no hydrogen 3.038 N/A CYS 142.A N ASP 140.A OD1 no hydrogen 2.957 N/A CYS 142.A SG MET 172.A O no hydrogen 3.669 N/A ALA 143.A N ASP 140.A O no hydrogen 2.848 N/A THR 144.A N ASP 140.A O no hydrogen 3.178 N/A THR 144.A OG1 HIS 87.A O no hydrogen 2.702 N/A THR 144.A OG1 ASP 140.A O no hydrogen 3.523 N/A TRP 145.A N LEU 141.A O no hydrogen 2.825 N/A TRP 145.A NE1 TYR 181.A O no hydrogen 2.921 N/A GLU 146.A N CYS 142.A O no hydrogen 3.112 N/A ALA 147.A N ALA 143.A O no hydrogen 3.129 N/A MET 148.A N THR 144.A O no hydrogen 2.995 N/A GLU 149.A N TRP 145.A O no hydrogen 2.846 N/A LYS 150.A N GLU 146.A O no hydrogen 3.087 N/A CYS 151.A N ALA 147.A O no hydrogen 3.221 N/A CYS 151.A SG ALA 147.A O no hydrogen 3.457 N/A LYS 152.A N MET 148.A O no hydrogen 3.090 N/A LYS 152.A NZ ASP 9.A OD2 no hydrogen 3.262 N/A LYS 152.A NZ LYS 158.A O no hydrogen 2.802 N/A ASP 153.A N GLU 149.A O no hydrogen 2.956 N/A ALA 154.A N LYS 150.A O no hydrogen 2.877 N/A GLY 155.A N LYS 152.A O no hydrogen 2.910 N/A LEU 156.A N CYS 151.A O no hydrogen 3.094 N/A ALA 157.A N CYS 151.A O no hydrogen 3.462 N/A LYS 158.A N VAL 108.A O no hydrogen 2.855 N/A SER 159.A N ASP 109.A O no hydrogen 3.007 N/A SER 159.A OG ASP 9.A OD1 no hydrogen 3.374 N/A SER 159.A OG ASP 9.A OD2 no hydrogen 2.609 N/A GLY 161.A N TYR 111.A O no hydrogen 3.022 N/A VAL 162.A N CYS 185.A O no hydrogen 3.056 N/A SER 163.A OG HIS 114.A O no hydrogen 3.527 N/A SER 163.A OG GLN 187.A O no hydrogen 2.665 N/A ASN 164.A N GLN 187.A O no hydrogen 2.934 N/A ASN 164.A ND2 HIS 114.A O no hydrogen 2.901 N/A PHE 165.A N ASN 186.A OD1 no hydrogen 3.270 N/A ASN 166.A ND2 PRO 315.A O no hydrogen 2.974 N/A LEU 169.A N ASN 166.A OD1 no hydrogen 2.851 N/A LEU 170.A N ASN 166.A O no hydrogen 2.861 N/A GLU 171.A N HIS 167.A O no hydrogen 2.871 N/A MET 172.A N ARG 168.A O no hydrogen 2.905 N/A ILE 173.A N LEU 169.A O no hydrogen 3.316 N/A LEU 174.A N LEU 170.A O no hydrogen 2.880 N/A ASN 175.A N GLU 171.A O no hydrogen 2.808 N/A LYS 176.A N ILE 173.A O no hydrogen 3.086 N/A LYS 176.A NZ GLU 146.A OE2 no hydrogen 2.663 N/A LYS 176.A NZ PRO 177.A O no hydrogen 2.943 N/A LEU 179.A N LYS 176.A O no hydrogen 3.221 N/A LYS 180.A N GLU 149.A OE2 no hydrogen 2.812 N/A LYS 180.A NZ ASP 153.A OD1 no hydrogen 3.489 N/A LYS 180.A NZ ASP 153.A OD2 no hydrogen 2.678 N/A TYR 181.A N GLU 149.A OE2 no hydrogen 2.959 N/A TYR 181.A OH ASP 153.A OD1 no hydrogen 2.356 N/A LYS 182.A NZ LYS 206.A O no hydrogen 2.687 N/A VAL 184.A N ILE 160.A O no hydrogen 2.896 N/A ASN 186.A N VAL 209.A O no hydrogen 2.945 N/A ASN 186.A ND2 PHE 165.A O no hydrogen 2.899 N/A GLN 187.A N VAL 162.A O no hydrogen 2.981 N/A GLN 187.A NE2 ASP 47.A OD1 no hydrogen 2.915 N/A VAL 188.A N VAL 211.A O no hydrogen 2.894 N/A CYS 190.A N TYR 213.A O no hydrogen 3.031 N/A CYS 190.A SG PHE 194.A O no hydrogen 3.839 N/A CYS 190.A SG ASN 195.A O no hydrogen 3.336 N/A HIS 191.A N PHE 194.A O no hydrogen 3.254 N/A HIS 191.A NE2 GLU 189.A OE2 no hydrogen 2.799 N/A TYR 193.A N HIS 191.A ND1 no hydrogen 3.114 N/A TYR 193.A OH ASP 235.A OD1 no hydrogen 2.605 N/A PHE 194.A N HIS 191.A O no hydrogen 2.912 N/A ASN 195.A N ASN 297.A OD1 no hydrogen 2.967 N/A GLN 196.A NE2 GLU 189.A O no hydrogen 2.924 N/A ARG 197.A N ASN 195.A OD1 no hydrogen 2.977 N/A ARG 197.A NH1 ASP 201.A OD1 no hydrogen 2.869 N/A LEU 200.A N GLN 196.A O no hydrogen 2.755 N/A ASP 201.A N ARG 197.A O no hydrogen 2.908 N/A PHE 202.A N LYS 198.A O no hydrogen 3.008 N/A CYS 203.A N LEU 199.A O no hydrogen 2.853 N/A CYS 203.A SG LEU 199.A O no hydrogen 3.397 N/A LYS 204.A N LEU 200.A O no hydrogen 2.830 N/A LYS 204.A NZ ARG 260.A O no hydrogen 2.933 N/A SER 205.A N ASP 201.A O no hydrogen 2.966 N/A SER 205.A OG PHE 202.A O no hydrogen 2.693 N/A LYS 206.A N PHE 202.A O no hydrogen 3.290 N/A LYS 206.A N CYS 203.A O no hydrogen 2.985 N/A ASP 207.A N LYS 204.A O no hydrogen 3.009 N/A ILE 208.A N CYS 203.A O no hydrogen 2.878 N/A VAL 209.A N VAL 184.A O no hydrogen 3.016 N/A VAL 211.A N ASN 186.A O no hydrogen 3.141 N/A ALA 212.A N VAL 263.A O no hydrogen 2.819 N/A TYR 213.A N VAL 188.A O no hydrogen 2.931 N/A TYR 213.A OH ASN 164.A OD1 no hydrogen 2.735 N/A GLY 217.A N SER 214.A O no hydrogen 2.988 N/A SER 218.A OG GLY 217.A O no hydrogen 2.738 N/A ARG 220.A N SER 218.A OG no hydrogen 2.971 N/A ARG 220.A NH1 SER 229.A O no hydrogen 3.402 N/A ARG 220.A NH1 PRO 230.A O no hydrogen 3.203 N/A ARG 220.A NH2 SER 229.A O no hydrogen 2.863 N/A VAL 225.A N GLU 221.A O no hydrogen 2.954 N/A ASN 228.A N ASP 226.A OD1 no hydrogen 2.746 N/A SER 229.A N ASP 226.A O no hydrogen 3.075 N/A SER 229.A OG ASP 226.A O no hydrogen 2.737 N/A GLU 234.A N VAL 231.A O no hydrogen 3.087 N/A ASP 235.A N LEU 232.A O no hydrogen 2.888 N/A VAL 237.A N ASP 235.A OD2 no hydrogen 2.869 N/A LEU 238.A N ASP 235.A OD2 no hydrogen 3.142 N/A CYS 239.A N ASP 235.A O no hydrogen 2.878 N/A CYS 239.A SG LEU 233.A O no hydrogen 3.348 N/A CYS 239.A SG ASP 235.A O no hydrogen 3.325 N/A ALA 240.A N PRO 236.A O no hydrogen 2.921 N/A LEU 241.A N VAL 237.A O no hydrogen 2.952 N/A ALA 242.A N LEU 238.A O no hydrogen 2.931 N/A LYS 243.A N CYS 239.A O no hydrogen 2.988 N/A LYS 244.A N ALA 240.A O no hydrogen 2.916 N/A LYS 244.A NZ GLU 289.A OE2 no hydrogen 2.779 N/A HIS 245.A N LEU 241.A O no hydrogen 3.125 N/A HIS 245.A NE2 GLU 289.A OE2 no hydrogen 2.653 N/A LYS 246.A N LYS 243.A O no hydrogen 3.221 N/A ARG 247.A N ALA 242.A O no hydrogen 2.845 N/A ARG 247.A NH1 GLN 279.A OE1 no hydrogen 2.894 N/A ARG 247.A NH1 GLU 282.A OE1.A no hydrogen 3.037 N/A THR 248.A OG1 GLN 276.A OE1 no hydrogen 2.660 N/A LEU 251.A N THR 248.A OG1 no hydrogen 3.184 N/A ILE 252.A N THR 248.A O no hydrogen 3.132 N/A ALA 253.A N PRO 249.A O no hydrogen 3.001 N/A LEU 254.A N ALA 250.A O no hydrogen 2.890 N/A ARG 255.A N LEU 251.A O no hydrogen 2.862 N/A ARG 255.A NE GLN 259.A OE1 no hydrogen 2.775 N/A ARG 255.A NH1 VAL 280.A O no hydrogen 3.064 N/A ARG 255.A NH2 GLN 259.A OE1 no hydrogen 3.479 N/A TYR 256.A N ILE 252.A O no hydrogen 2.956 N/A TYR 256.A OH ASP 294.A OD1 no hydrogen 2.685 N/A LEU 258.A N LEU 254.A O no hydrogen 3.190 N/A GLN 259.A N ARG 255.A O no hydrogen 3.021 N/A GLN 259.A NE2 LEU 285.A O no hydrogen 2.914 N/A ARG 260.A N TYR 256.A O no hydrogen 3.234 N/A ARG 260.A N GLN 257.A O no hydrogen 3.177 N/A ARG 260.A NH1 ASN 195.A O no hydrogen 2.863 N/A ARG 260.A NH1 GLN 257.A OE1 no hydrogen 3.065 N/A ARG 260.A NH2 ASN 195.A O no hydrogen 2.871 N/A GLY 261.A N LEU 258.A O no hydrogen 3.084 N/A VAL 262.A N GLN 257.A O no hydrogen 3.021 N/A VAL 263.A N LEU 210.A O no hydrogen 3.171 N/A VAL 264.A N VAL 15.A O no hydrogen 2.976 N/A LEU 265.A N ALA 212.A O no hydrogen 3.063 N/A ALA 266.A N GLY 17.A O no hydrogen 2.874 N/A LYS 267.A NZ HIS 219.A NE2 no hydrogen 2.927 N/A SER 268.A OG ASN 270.A O no hydrogen 3.342 N/A TYR 269.A OH THR 20.A O no hydrogen 2.479 N/A ASN 270.A N SER 268.A OG no hydrogen 3.062 N/A ARG 273.A N ASN 270.A OD1 no hydrogen 2.987 N/A ILE 274.A N ASN 270.A O no hydrogen 2.923 N/A ARG 275.A N GLU 271.A O no hydrogen 3.204 N/A GLN 276.A N GLN 272.A O no hydrogen 2.918 N/A ASN 277.A N ARG 273.A O no hydrogen 2.908 N/A GLN 279.A N GLN 276.A O no hydrogen 2.881 N/A VAL 280.A N ASN 277.A O no hydrogen 3.184 N/A PHE 281.A N VAL 278.A O.A no hydrogen 3.427 N/A GLU 282.A N GLN 279.A O no hydrogen 2.911 N/A LEU 285.A N GLN 259.A OE1 no hydrogen 2.761 N/A THR 286.A N GLU 289.A OE1 no hydrogen 2.898 N/A GLU 289.A N THR 286.A OG1 no hydrogen 3.250 N/A MET 290.A N THR 286.A O no hydrogen 2.920 N/A LYS 291.A N SER 287.A O no hydrogen 2.951 N/A ALA 292.A N GLU 288.A O no hydrogen 2.953 N/A ILE 293.A N GLU 289.A O no hydrogen 3.025 N/A ASP 294.A N MET 290.A O no hydrogen 2.888 N/A GLY 295.A N LYS 291.A O no hydrogen 3.019 N/A GLY 295.A N ALA 292.A O no hydrogen 3.229 N/A LEU 296.A N ILE 293.A O no hydrogen 2.940 N/A ASN 297.A N ASP 294.A O no hydrogen 3.375 N/A ARG 298.A N TYR 193.A O no hydrogen 2.991 N/A ARG 298.A NE LEU 296.A O no hydrogen 2.919 N/A ARG 298.A NH2 LEU 296.A O no hydrogen 3.352 N/A VAL 300.A N TYR 193.A O no hydrogen 3.250 N/A TYR 302.A N GLU 189.A OE2 no hydrogen 2.658 N/A TYR 302.A OH PRO 230.A O no hydrogen 2.649 N/A LEU 303.A N GLU 189.A OE1 no hydrogen 2.969 N/A PHE 308.A N LEU 305.A O no hydrogen 3.040 N/A ALA 309.A N ASP 306.A O no hydrogen 3.027 N/A ASN 313.A ND2 PRO 116.A O no hydrogen 3.283 N/A TYR 314.A N PRO 311.A O no hydrogen 3.123 N/A TYR 314.A OH THR 304.A O no hydrogen 2.561 N/A