Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ASP 231.A O no hydrogen 3.477 N/A ARG 3.A NH1 ARG 233.A O no hydrogen 3.473 N/A ARG 3.A NH2 ARG 233.A O no hydrogen 2.818 N/A LYS 4.A N THR 111.A OG1 no hydrogen 3.076 N/A LYS 4.A NZ GLY 118.A O no hydrogen 2.455 N/A ILE 5.A N ALA 144.A O no hydrogen 2.874 N/A ILE 6.A N LEU 108.A O no hydrogen 2.911 N/A HIS 7.A N GLY 142.A O no hydrogen 2.855 N/A HIS 7.A ND1 SER 154.A OG no hydrogen 3.087 N/A HIS 7.A NE2 GLU 105.A OE1 no hydrogen 3.254 N/A VAL 8.A N ALA 106.A O no hydrogen 2.910 N/A ASP 9.A N SER 140.A O no hydrogen 2.921 N/A MET 10.A N ASP 104.A O no hydrogen 3.034 N/A ASP 11.A N THR 138.A O no hydrogen 3.144 N/A CYS 12.A SG ALA 45.A O no hydrogen 3.863 N/A ALA 16.A N CYS 12.A O no hydrogen 2.500 N/A VAL 17.A N PHE 13.A O no hydrogen 2.943 N/A GLU 18.A N PHE 14.A O no hydrogen 2.965 N/A MET 19.A N ALA 15.A O no hydrogen 2.858 N/A ARG 20.A N ALA 16.A O no hydrogen 2.898 N/A ARG 20.A NE ASP 21.A OD1 no hydrogen 2.843 N/A ARG 20.A NH1 LEU 135.A O no hydrogen 3.120 N/A ARG 20.A NH2 ASP 21.A OD2 no hydrogen 3.184 N/A ASP 21.A N VAL 17.A O no hydrogen 2.991 N/A LEU 25.A N ASN 22.A O no hydrogen 3.096 N/A ARG 26.A N PRO 23.A O no hydrogen 3.124 N/A ILE 28.A N LEU 25.A O no hydrogen 3.154 N/A ILE 30.A N ASN 46.A OD1 no hydrogen 3.118 N/A ALA 31.A N THR 71.A O no hydrogen 3.059 N/A ILE 32.A N THR 44.A O no hydrogen 2.843 N/A GLY 33.A N LEU 73.A O no hydrogen 3.078 N/A GLY 34.A N VAL 41.A O no hydrogen 3.088 N/A SER 35.A OG GLU 37.A OE1 no hydrogen 2.868 N/A ARG 38.A N SER 35.A O no hydrogen 3.085 N/A ARG 38.A N SER 35.A OG no hydrogen 3.063 N/A ARG 39.A N ARG 36.A O no hydrogen 2.897 N/A ARG 39.A NE MET 250.A O no hydrogen 2.771 N/A ARG 39.A NH1 ASP 253.A OD2 no hydrogen 3.068 N/A ARG 39.A NH2 MET 250.A O no hydrogen 2.672 N/A ARG 39.A NH2 ASP 253.A OD2 no hydrogen 2.857 N/A GLY 40.A N SER 35.A O no hydrogen 2.903 N/A ILE 42.A N MET 58.A O no hydrogen 2.795 N/A SER 43.A N ILE 32.A O no hydrogen 2.553 N/A THR 44.A N ILE 32.A O no hydrogen 3.030 N/A ASN 46.A N ILE 30.A O no hydrogen 3.237 N/A ASN 46.A ND2 LEU 25.A O no hydrogen 3.644 N/A ASN 46.A ND2 ILE 28.A O no hydrogen 3.194 N/A ALA 49.A N ASN 46.A O no hydrogen 2.854 N/A ARG 50.A N ASN 46.A O no hydrogen 2.882 N/A ARG 50.A NE ALA 45.A O no hydrogen 2.924 N/A ARG 50.A NH2 ALA 45.A O no hydrogen 3.425 N/A LYS 51.A N TYR 47.A O no hydrogen 2.922 N/A PHE 52.A N ALA 49.A O no hydrogen 3.010 N/A GLY 53.A N ARG 50.A O no hydrogen 2.740 N/A VAL 54.A N ALA 49.A O no hydrogen 3.314 N/A SER 56.A OG SER 43.A O no hydrogen 2.857 N/A ALA 57.A N ILE 42.A O no hydrogen 2.708 N/A MET 58.A N ARG 55.A O no hydrogen 3.279 N/A THR 60.A N GLY 40.A O no hydrogen 3.219 N/A THR 60.A OG1 GLY 34.A O no hydrogen 2.490 N/A ALA 63.A N PRO 59.A O no hydrogen 3.155 N/A LEU 64.A N THR 60.A O no hydrogen 2.915 N/A ALA 65.A N GLY 61.A O no hydrogen 2.944 N/A LEU 66.A N MET 62.A O no hydrogen 2.912 N/A CYS 67.A N ALA 63.A O no hydrogen 2.644 N/A LEU 70.A N CYS 67.A O no hydrogen 2.843 N/A THR 71.A N PRO 29.A O no hydrogen 2.978 N/A LEU 73.A N ALA 31.A O no hydrogen 2.762 N/A ARG 76.A N TYR 80.A OH no hydrogen 3.320 N/A ARG 76.A NE GLU 18.A OE2 no hydrogen 3.091 N/A ARG 76.A NH2 ASP 21.A OD2 no hydrogen 2.934 N/A TYR 80.A N ARG 76.A O no hydrogen 3.369 N/A TYR 80.A OH GLU 18.A OE2 no hydrogen 3.071 N/A LYS 81.A N PHE 77.A O no hydrogen 2.888 N/A GLU 82.A N ASP 78.A O no hydrogen 2.923 N/A ALA 83.A N ALA 79.A O no hydrogen 2.931 N/A SER 84.A N TYR 80.A O no hydrogen 2.942 N/A SER 84.A OG LEU 103.A O no hydrogen 2.815 N/A ASN 85.A N LYS 81.A O no hydrogen 2.891 N/A HIS 86.A N GLU 82.A O no hydrogen 2.965 N/A ILE 87.A N ALA 83.A O no hydrogen 2.905 N/A ARG 88.A N SER 84.A O no hydrogen 2.985 N/A ARG 88.A NH1 SER 102.A O no hydrogen 2.775 N/A GLU 89.A N ASN 85.A O no hydrogen 2.950 N/A ILE 90.A N HIS 86.A O no hydrogen 2.892 N/A PHE 91.A N ILE 87.A O no hydrogen 2.912 N/A SER 92.A N ARG 88.A O no hydrogen 2.925 N/A SER 92.A OG GLU 89.A O no hydrogen 2.214 N/A ARG 93.A N ILE 90.A O no hydrogen 3.186 N/A ARG 93.A NE GLU 89.A OE2 no hydrogen 2.937 N/A ARG 93.A NH1 GLU 134.A OE2 no hydrogen 3.092 N/A ARG 93.A NH2 GLU 89.A OE1 no hydrogen 2.436 N/A ARG 93.A NH2 GLU 89.A OE2 no hydrogen 3.481 N/A ARG 93.A NH2 GLU 134.A OE1 no hydrogen 3.302 N/A TYR 94.A N PHE 91.A O no hydrogen 3.068 N/A TYR 94.A OH GLU 126.A OE1 no hydrogen 3.106 N/A THR 95.A OG1 ASP 109.A O no hydrogen 2.983 N/A ARG 97.A N THR 95.A OG1 no hydrogen 2.906 N/A ARG 97.A NE VAL 235.A O no hydrogen 3.454 N/A ARG 97.A NH2 VAL 235.A O no hydrogen 3.085 N/A ILE 98.A N SER 96.A O no hydrogen 2.911 N/A GLU 99.A N TYR 107.A O no hydrogen 2.903 N/A LEU 101.A N GLU 105.A O no hydrogen 3.184 N/A SER 102.A OG ASP 104.A OD1 no hydrogen 3.043 N/A ASP 104.A N SER 102.A OG no hydrogen 3.380 N/A ALA 106.A N VAL 8.A O no hydrogen 2.953 N/A TYR 107.A N GLU 99.A O no hydrogen 2.896 N/A TYR 107.A OH LYS 147.A O no hydrogen 3.229 N/A LEU 108.A N ILE 6.A O no hydrogen 2.855 N/A ASP 109.A N ARG 97.A O no hydrogen 3.082 N/A VAL 110.A N LYS 4.A O no hydrogen 3.112 N/A THR 111.A N ASP 109.A OD1 no hydrogen 2.961 N/A THR 111.A OG1 ASP 109.A OD1 no hydrogen 2.377 N/A SER 113.A N VAL 110.A O no hydrogen 3.181 N/A HIS 115.A N SER 113.A OG no hydrogen 3.219 N/A CYS 116.A SG GLU 126.A OE2 no hydrogen 3.316 N/A SER 119.A N CYS 116.A O no hydrogen 3.030 N/A LEU 122.A N SER 119.A OG no hydrogen 3.238 N/A ILE 123.A N SER 119.A O no hydrogen 2.897 N/A ALA 124.A N ALA 120.A O no hydrogen 2.864 N/A GLN 125.A N THR 121.A O no hydrogen 2.976 N/A GLU 126.A N LEU 122.A O no hydrogen 2.884 N/A ILE 127.A N ALA 124.A O no hydrogen 3.151 N/A ARG 128.A N ALA 124.A O no hydrogen 2.947 N/A ARG 128.A NE GLN 162.A OE1 no hydrogen 2.995 N/A ARG 128.A NH2 GLN 162.A OE1 no hydrogen 2.906 N/A GLN 129.A N GLN 125.A O no hydrogen 2.936 N/A THR 130.A OG1 GLU 126.A O no hydrogen 3.022 N/A ILE 131.A N ILE 127.A O no hydrogen 2.959 N/A PHE 132.A N ARG 128.A O no hydrogen 2.903 N/A LEU 135.A N ILE 131.A O no hydrogen 3.036 N/A LEU 135.A N ASN 133.A O no hydrogen 2.253 N/A GLN 136.A N PHE 132.A O no hydrogen 2.965 N/A THR 138.A OG1 ASP 11.A OD1 no hydrogen 2.553 N/A SER 140.A N ASP 9.A O no hydrogen 2.877 N/A SER 140.A OG ASP 11.A OD2 no hydrogen 2.983 N/A SER 140.A OG GLY 161.A O no hydrogen 3.278 N/A ALA 141.A N GLY 161.A O no hydrogen 3.114 N/A GLY 142.A N HIS 7.A O no hydrogen 2.915 N/A VAL 143.A N PHE 163.A O no hydrogen 2.912 N/A ALA 144.A N ILE 5.A O no hydrogen 2.994 N/A LYS 147.A NZ GLU 99.A OE1 no hydrogen 2.665 N/A LYS 147.A NZ GLU 99.A OE2 no hydrogen 3.363 N/A LYS 147.A NZ ASP 234.A O no hydrogen 2.859 N/A PHE 148.A N ASP 231.A OD2 no hydrogen 3.318 N/A ALA 150.A N VAL 146.A O no hydrogen 3.131 N/A LYS 151.A N LYS 147.A O no hydrogen 2.905 N/A ILE 152.A N PHE 148.A O no hydrogen 2.930 N/A ALA 153.A N LEU 149.A O no hydrogen 2.897 N/A SER 154.A N ALA 150.A O no hydrogen 2.911 N/A SER 154.A OG HIS 7.A ND1 no hydrogen 3.087 N/A SER 154.A OG HIS 7.A O no hydrogen 3.263 N/A ASP 155.A N LYS 151.A O no hydrogen 2.987 N/A MET 156.A N ILE 152.A O no hydrogen 2.985 N/A MET 156.A N ALA 153.A O no hydrogen 3.156 N/A LYS 158.A NZ ASP 9.A O no hydrogen 3.228 N/A LYS 158.A NZ MET 10.A O no hydrogen 3.196 N/A ASN 160.A N ASP 11.A OD1 no hydrogen 2.777 N/A GLY 161.A N SER 140.A OG no hydrogen 3.342 N/A GLN 162.A NE2 THR 121.A O no hydrogen 3.039 N/A PHE 163.A N ALA 141.A O no hydrogen 2.956 N/A ILE 165.A N VAL 143.A O no hydrogen 2.811 N/A THR 166.A N GLU 169.A OE1 no hydrogen 2.613 N/A GLU 169.A N THR 166.A O no hydrogen 2.904 N/A GLU 169.A N THR 166.A OG1 no hydrogen 3.175 N/A PHE 173.A N GLU 169.A O no hydrogen 3.063 N/A LEU 174.A N VAL 170.A O no hydrogen 2.866 N/A GLN 175.A N PRO 171.A O no hydrogen 2.970 N/A GLN 175.A NE2 GLN 205.A OE1 no hydrogen 2.752 N/A LEU 177.A N LEU 174.A O no hydrogen 2.978 N/A LEU 179.A N ARG 199.A O no hydrogen 2.725 N/A LYS 181.A N PRO 178.A O no hydrogen 2.832 N/A ILE 182.A N LEU 179.A O no hydrogen 3.130 N/A VAL 185.A N ILE 182.A O no hydrogen 3.128 N/A ALA 190.A N GLY 186.A O no hydrogen 3.013 N/A ALA 191.A N LYS 187.A O no hydrogen 2.922 N/A LYS 192.A N VAL 188.A O no hydrogen 2.952 N/A LEU 193.A N SER 189.A O no hydrogen 2.898 N/A GLU 194.A N ALA 190.A O no hydrogen 2.919 N/A ALA 195.A N ALA 191.A O no hydrogen 2.922 N/A MET 196.A N LEU 193.A O no hydrogen 2.842 N/A GLY 197.A N GLU 194.A O no hydrogen 2.930 N/A LEU 198.A N LEU 193.A O no hydrogen 2.796 N/A THR 200.A N ASP 203.A OD2 no hydrogen 2.847 N/A THR 200.A OG1 ASP 203.A OD2 no hydrogen 2.387 N/A CYS 201.A N LEU 177.A O no hydrogen 3.178 N/A CYS 201.A SG LEU 177.A O no hydrogen 3.986 N/A CYS 201.A SG SER 227.A OG no hydrogen 3.643 N/A ASP 203.A N THR 200.A O no hydrogen 3.067 N/A ASP 203.A N THR 200.A OG1 no hydrogen 3.197 N/A VAL 204.A N THR 200.A O no hydrogen 3.298 N/A GLN 205.A N CYS 201.A O no hydrogen 2.926 N/A GLN 205.A NE2 SER 227.A O no hydrogen 2.979 N/A CYS 207.A N VAL 204.A O no hydrogen 3.107 N/A CYS 207.A SG VAL 204.A O no hydrogen 3.354 N/A CYS 207.A SG ASP 208.A O no hydrogen 3.356 N/A MET 211.A N ASP 208.A OD1 no hydrogen 3.051 N/A LEU 212.A N ASP 208.A O no hydrogen 3.387 N/A LEU 213.A N LEU 209.A O no hydrogen 2.879 N/A LYS 214.A N VAL 210.A O no hydrogen 2.917 N/A ARG 215.A N MET 211.A O no hydrogen 2.930 N/A PHE 216.A N LEU 212.A O no hydrogen 2.919 N/A GLY 217.A N LEU 213.A O no hydrogen 2.885 N/A GLY 220.A N PHE 216.A O no hydrogen 2.945 N/A ARG 221.A N GLY 217.A O no hydrogen 2.984 N/A ILE 222.A N LYS 218.A O no hydrogen 2.891 N/A LEU 223.A N PHE 219.A O no hydrogen 2.898 N/A TRP 224.A N GLY 220.A O no hydrogen 2.933 N/A GLU 225.A N ARG 221.A O no hydrogen 2.916 N/A ARG 226.A N ILE 222.A O no hydrogen 2.919 N/A SER 227.A N LEU 223.A O no hydrogen 2.927 N/A SER 227.A OG LEU 223.A O no hydrogen 2.963 N/A GLN 228.A N GLU 225.A O no hydrogen 3.034 N/A GLY 229.A N ARG 226.A O no hydrogen 3.192 N/A ILE 230.A N GLU 225.A O no hydrogen 2.778 N/A ARG 233.A NE ASP 231.A OD1 no hydrogen 2.748 N/A ARG 233.A NE ASP 231.A OD2 no hydrogen 3.449 N/A ARG 233.A NH2 ASP 231.A OD2 no hydrogen 3.006 N/A ASN 236.A N GLU 99.A OE1 no hydrogen 2.811 N/A SER 237.A OG ASN 236.A O no hydrogen 2.265 N/A VAL 244.A N VAL 337.A O no hydrogen 2.924 N/A VAL 246.A N LEU 335.A O no hydrogen 2.945 N/A ARG 248.A N VAL 333.A O no hydrogen 2.924 N/A MET 250.A N ARG 331.A O no hydrogen 2.798 N/A ILE 254.A N VAL 330.A O no hydrogen 2.832 N/A HIS 255.A N GLU 259.A OE1 no hydrogen 3.096 N/A HIS 256.A N GLU 259.A OE1 no hydrogen 2.909 N/A GLU 259.A N HIS 256.A O no hydrogen 3.113 N/A CYS 260.A N HIS 256.A O no hydrogen 3.424 N/A GLU 261.A N TRP 257.A O no hydrogen 2.949 N/A ALA 262.A N SER 258.A O no hydrogen 2.922 N/A ILE 263.A N GLU 259.A O no hydrogen 2.930 N/A ILE 264.A N CYS 260.A O no hydrogen 2.968 N/A GLU 265.A N GLU 261.A O no hydrogen 2.899 N/A ARG 266.A N ALA 262.A O no hydrogen 2.983 N/A LEU 267.A N ILE 263.A O no hydrogen 2.886 N/A LEU 267.A N ILE 264.A O no hydrogen 3.165 N/A TYR 268.A N ILE 264.A O no hydrogen 2.915 N/A TYR 268.A OH LEU 308.A O no hydrogen 3.345 N/A LEU 271.A N LEU 267.A O no hydrogen 3.186 N/A GLU 272.A N TYR 268.A O no hydrogen 2.936 N/A ARG 273.A N PRO 269.A O no hydrogen 3.122 N/A ARG 273.A NH1 GLU 270.A OE1 no hydrogen 3.467 N/A ARG 274.A N GLU 270.A O no hydrogen 3.198 N/A ARG 274.A NE GLU 270.A OE2 no hydrogen 3.343 N/A LEU 275.A N LEU 271.A O no hydrogen 2.968 N/A ALA 276.A N GLU 272.A O no hydrogen 2.568 N/A LYS 277.A N ARG 273.A O no hydrogen 2.750 N/A VAL 278.A N LEU 275.A O no hydrogen 3.238 N/A LYS 279.A N LEU 275.A O no hydrogen 2.743 N/A LEU 282.A N LYS 279.A O no hydrogen 2.772 N/A LEU 283.A N ASP 281.A OD1 no hydrogen 3.280 N/A ILE 284.A N PRO 306.A O no hydrogen 2.693 N/A ALA 285.A N THR 338.A O no hydrogen 3.090 N/A ARG 286.A N THR 338.A O no hydrogen 3.428 N/A ARG 286.A NH1 THR 338.A OG1 no hydrogen 3.395 N/A GLN 287.A N HIS 303.A O no hydrogen 2.995 N/A GLN 287.A NE2 ASN 309.A O no hydrogen 2.990 N/A GLN 287.A NE2 ASP 312.A OD2 no hydrogen 2.938 N/A GLY 288.A N HIS 336.A O no hydrogen 2.836 N/A VAL 289.A N GLN 301.A O no hydrogen 2.906 N/A LYS 290.A N GLY 334.A O no hydrogen 2.903 N/A LYS 290.A NZ GLU 247.A OE1 no hydrogen 3.045 N/A LYS 290.A NZ GLU 247.A OE2 no hydrogen 3.396 N/A LEU 291.A N THR 299.A O no hydrogen 2.942 N/A LYS 292.A N LEU 332.A O no hydrogen 3.147 N/A LYS 292.A NZ PHE 296.A O no hydrogen 2.964 N/A LYS 292.A NZ GLN 298.A OE1 no hydrogen 3.187 N/A PHE 293.A N GLN 297.A O no hydrogen 2.811 N/A ASP 294.A N GLY 329.A O no hydrogen 3.040 N/A PHE 296.A N PHE 293.A O no hydrogen 2.780 N/A GLN 297.A N ASP 295.A OD1 no hydrogen 2.999 N/A THR 299.A N LEU 291.A O no hydrogen 2.870 N/A GLN 301.A N VAL 289.A O no hydrogen 2.880 N/A HIS 303.A N GLN 287.A O no hydrogen 2.911 N/A HIS 303.A NE2 ASP 312.A OD2 no hydrogen 2.472 N/A TRP 305.A N ALA 285.A O no hydrogen 3.236 N/A LEU 308.A N LEU 282.A O no hydrogen 3.163 N/A ASN 309.A N GLN 287.A OE1 no hydrogen 3.082 N/A LYS 310.A NZ GLU 265.A OE1 no hydrogen 2.862 N/A LYS 310.A NZ GLU 265.A OE2 no hydrogen 2.821 N/A ASP 312.A N ASN 309.A OD1 no hydrogen 3.170 N/A LEU 313.A N ASN 309.A O no hydrogen 3.260 N/A ILE 314.A N LYS 310.A O no hydrogen 2.915 N/A ALA 315.A N ALA 311.A O no hydrogen 2.912 N/A THR 316.A N ASP 312.A O no hydrogen 2.934 N/A THR 316.A OG1 ASP 312.A O no hydrogen 2.504 N/A ALA 317.A N LEU 313.A O no hydrogen 2.882 N/A ARG 318.A N ILE 314.A O no hydrogen 2.894 N/A LYS 319.A N ALA 315.A O no hydrogen 3.017 N/A THR 320.A N THR 316.A O no hydrogen 2.896 N/A THR 320.A OG1 GLN 301.A OE1 no hydrogen 2.623 N/A THR 320.A OG1 THR 316.A O no hydrogen 2.813 N/A TRP 321.A N ALA 317.A O no hydrogen 2.840 N/A ASP 322.A N ARG 318.A O no hydrogen 2.934 N/A GLU 323.A N LYS 319.A O no hydrogen 2.895 N/A ARG 324.A N THR 320.A O no hydrogen 2.915 N/A ARG 324.A NH1 THR 299.A OG1 no hydrogen 2.821 N/A ARG 324.A NH1 THR 300.A O no hydrogen 2.879 N/A ARG 325.A NH1 ARG 328.A O no hydrogen 2.839 N/A ARG 328.A N ARG 325.A O no hydrogen 3.168 N/A ARG 328.A NE ARG 325.A O no hydrogen 2.763 N/A ARG 328.A NH1 ASP 295.A OD1 no hydrogen 3.418 N/A ARG 328.A NH1 ASP 295.A OD2 no hydrogen 2.833 N/A ARG 328.A NH1 GLN 297.A OE1 no hydrogen 2.954 N/A ARG 328.A NH2 ARG 324.A O no hydrogen 2.830 N/A ARG 328.A NH2 ARG 325.A O no hydrogen 3.477 N/A GLY 329.A N ASP 294.A OD2 no hydrogen 2.695 N/A VAL 330.A N ILE 254.A O no hydrogen 2.945 N/A ARG 331.A N LYS 292.A O no hydrogen 2.856 N/A LEU 332.A N LYS 292.A O no hydrogen 3.355 N/A VAL 333.A N ARG 248.A O no hydrogen 2.973 N/A GLY 334.A N LYS 290.A O no hydrogen 2.883 N/A LEU 335.A N VAL 246.A O no hydrogen 2.837 N/A HIS 336.A N GLY 288.A O no hydrogen 2.956 N/A VAL 337.A N VAL 244.A O no hydrogen 2.890 N/A THR 338.A N ARG 286.A O no hydrogen 2.788 N/A THR 338.A OG1 GLU 302.A OE2 no hydrogen 3.330 N/A LEU 339.A N LYS 242.A O no hydrogen 2.826 N/A