Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4m72_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLN 5.A OE1 no hydrogen 2.777 N/A GLN 5.A N SER 2.A O no hydrogen 3.218 N/A GLN 5.A N SER 2.A OG no hydrogen 3.357 N/A ALA 6.A N SER 2.A O no hydrogen 3.176 N/A ARG 7.A N GLU 3.A O no hydrogen 2.836 N/A ARG 8.A N ALA 4.A O no hydrogen 2.967 N/A ARG 8.A NE ASP 12.A OD1 no hydrogen 3.144 N/A ARG 8.A NH2 ASP 12.A OD1 no hydrogen 3.063 N/A ALA 9.A N GLN 5.A O no hydrogen 2.806 N/A VAL 10.A N ALA 6.A O no hydrogen 2.853 N/A ALA 11.A N ARG 7.A O no hydrogen 3.044 N/A ASP 12.A N ARG 8.A O no hydrogen 2.957 N/A ILE 13.A N ALA 9.A O no hydrogen 3.048 N/A PHE 14.A N VAL 10.A O no hydrogen 2.988 N/A ASN 15.A N ALA 11.A O no hydrogen 2.922 N/A SER 16.A N ASP 12.A O no hydrogen 2.759 N/A SER 16.A OG ASP 12.A O no hydrogen 2.629 N/A THR 17.A N ILE 13.A O no hydrogen 3.318 N/A THR 17.A N PHE 14.A O no hydrogen 3.100 N/A THR 17.A OG1 ILE 13.A O no hydrogen 3.180 N/A THR 17.A OG1 PHE 14.A O no hydrogen 3.233 N/A ALA 19.A N ASN 15.A O no hydrogen 2.940 N/A SER 20.A N SER 16.A O no hydrogen 2.720 N/A SER 21.A N THR 17.A O no hydrogen 3.139 N/A ALA 22.A N LEU 18.A O no hydrogen 2.788 N/A ILE 23.A N ALA 19.A O no hydrogen 2.936 N/A ILE 23.A N SER 20.A O no hydrogen 3.142 N/A ALA 25.A N SER 21.A O no hydrogen 3.438 N/A ALA 26.A N ALA 22.A O no hydrogen 2.850 N/A TRP 27.A N ILE 23.A O no hydrogen 2.943 N/A GLU 28.A N GLY 24.A O no hydrogen 3.174 N/A LEU 29.A N ALA 25.A O no hydrogen 2.935 N/A GLY 30.A N TRP 27.A O no hydrogen 3.114 N/A LEU 32.A N ALA 26.A O no hydrogen 3.094 N/A GLU 34.A N GLY 30.A O no hydrogen 3.238 N/A LEU 35.A N ALA 31.A O no hydrogen 3.005 N/A ARG 36.A N LEU 32.A O no hydrogen 2.830 N/A ARG 36.A NH2 ASP 33.A OD1 no hydrogen 3.186 N/A GLU 37.A N ASP 33.A O no hydrogen 2.926 N/A ASN 38.A N GLU 34.A O no hydrogen 2.938 N/A GLY 39.A N LEU 35.A O no hydrogen 2.904 N/A LEU 41.A N VAL 77.A O no hydrogen 2.895 N/A VAL 43.A N ALA 75.A O no hydrogen 2.923 N/A SER 44.A OG GLU 54.A OE1 no hydrogen 3.556 N/A SER 44.A OG GLU 54.A OE2 no hydrogen 2.672 N/A ASP 45.A N ASP 42.A OD2 no hydrogen 2.887 N/A PHE 46.A N ASP 42.A O no hydrogen 2.860 N/A ALA 47.A N VAL 43.A O no hydrogen 3.028 N/A VAL 48.A N SER 44.A O no hydrogen 2.912 N/A ARG 49.A N ASP 45.A O no hydrogen 2.836 N/A ARG 49.A NE ASP 45.A OD1 no hydrogen 3.141 N/A ARG 49.A NE ASP 45.A OD2 no hydrogen 3.467 N/A ARG 49.A NH1 GLU 34.A OE2 no hydrogen 3.322 N/A ARG 49.A NH2 GLU 34.A OE2 no hydrogen 3.057 N/A HIS 50.A N PHE 46.A O no hydrogen 2.992 N/A ASP 51.A N VAL 48.A O no hydrogen 2.884 N/A LEU 52.A N ALA 47.A O no hydrogen 2.834 N/A VAL 57.A N HIS 53.A O no hydrogen 3.083 N/A VAL 58.A N GLU 54.A O no hydrogen 2.793 N/A GLY 59.A N PRO 55.A O no hydrogen 3.123 N/A MET 60.A N ALA 56.A O no hydrogen 2.763 N/A PHE 61.A N VAL 57.A O no hydrogen 3.059 N/A THR 62.A N VAL 58.A O no hydrogen 2.853 N/A THR 62.A OG1 VAL 58.A O no hydrogen 2.702 N/A ALA 63.A N GLY 59.A O no hydrogen 2.842 N/A LEU 64.A N MET 60.A O no hydrogen 3.202 N/A ALA 65.A N PHE 61.A O no hydrogen 2.724 N/A SER 66.A N THR 62.A O no hydrogen 2.785 N/A SER 66.A N ALA 63.A O no hydrogen 3.099 N/A SER 66.A OG ALA 63.A O no hydrogen 2.594 N/A GLY 68.A N ALA 65.A O no hydrogen 3.112 N/A ILE 69.A N LEU 64.A O no hydrogen 3.034 N/A ARG 71.A N VAL 78.A O no hydrogen 2.723 N/A ARG 71.A NH1 GLU 73.A OE2 no hydrogen 2.279 N/A GLU 73.A N THR 76.A O no hydrogen 2.883 N/A THR 76.A N GLU 73.A O no hydrogen 3.010 N/A THR 76.A OG1 GLU 73.A O no hydrogen 3.269 N/A VAL 77.A N LEU 41.A O no hydrogen 2.918 N/A VAL 78.A N ARG 71.A O no hydrogen 2.837 N/A VAL 79.A N GLY 39.A O no hydrogen 3.279 N/A GLY 80.A N ILE 69.A O no hydrogen 3.068 N/A TYR 82.A N GLY 68.A O no hydrogen 3.190 N/A PHE 83.A N GLY 80.A O no hydrogen 3.235 N/A ALA 86.A N TYR 82.A O no hydrogen 2.987 N/A ASN 87.A N PHE 83.A O no hydrogen 2.837 N/A HIS 88.A N ASP 84.A O no hydrogen 2.907 N/A HIS 89.A N GLU 85.A O no hydrogen 3.126 N/A HIS 89.A ND1 TYR 139.A OH no hydrogen 2.616 N/A ARG 90.A N ASN 87.A O no hydrogen 3.273 N/A ARG 90.A NE GLU 134.A OE2 no hydrogen 2.806 N/A ARG 90.A NH1 ASP 33.A OD1 no hydrogen 3.001 N/A ARG 90.A NH1 ASN 87.A OD1 no hydrogen 2.987 N/A ARG 90.A NH2 GLU 134.A OE1 no hydrogen 2.940 N/A LEU 92.A N HIS 89.A O no hydrogen 2.872 N/A PHE 93.A N HIS 89.A O no hydrogen 3.417 N/A HIS 94.A N ARG 90.A O no hydrogen 2.981 N/A HIS 94.A NE2 GLU 28.A OE1 no hydrogen 2.949 N/A TRP 95.A N SER 91.A O no hydrogen 2.921 N/A LEU 96.A N LEU 92.A O no hydrogen 2.970 N/A ASN 97.A N PHE 93.A O no hydrogen 2.941 N/A ASN 97.A ND2 SER 20.A OG no hydrogen 2.831 N/A ASN 97.A ND2 PHE 93.A O no hydrogen 2.978 N/A GLN 98.A NE2 SER 21.A O no hydrogen 3.485 N/A GLY 99.A N HIS 94.A O no hydrogen 2.944 N/A SER 100.A N TRP 95.A O no hydrogen 2.813 N/A SER 100.A OG TRP 95.A O no hydrogen 3.101 N/A GLY 101.A N ASN 97.A O no hydrogen 2.859 N/A PHE 104.A N SER 100.A O no hydrogen 3.423 N/A ARG 105.A N GLY 101.A O no hydrogen 2.782 N/A ARG 105.A NE GLU 102.A OE2 no hydrogen 2.686 N/A ARG 105.A NH2 GLU 102.A OE1 no hydrogen 2.770 N/A ARG 105.A NH2 GLU 102.A OE2 no hydrogen 3.020 N/A ARG 106.A N GLU 102.A O no hydrogen 3.252 N/A ARG 106.A N LEU 103.A O no hydrogen 3.258 N/A MET 107.A N PHE 104.A O no hydrogen 3.240 N/A GLN 109.A N ARG 106.A O no hydrogen 2.862 N/A VAL 110.A N ARG 106.A O no hydrogen 3.038 N/A LEU 111.A N MET 107.A O no hydrogen 3.192 N/A ASN 115.A N PRO 112.A O no hydrogen 2.843 N/A ASN 115.A ND2 GLN 109.A O no hydrogen 2.726 N/A ARG 116.A N ASN 113.A O no hydrogen 3.096 N/A ARG 116.A NE VAL 110.A O no hydrogen 3.196 N/A ARG 116.A NH2 VAL 110.A O no hydrogen 3.294 N/A ARG 116.A NH2 MET 293.A O no hydrogen 2.592 N/A LYS 119.A NZ TYR 121.A O no hydrogen 3.191 N/A LYS 119.A NZ GLN 122.A OE1 no hydrogen 2.816 N/A GLN 122.A NE2 LEU 123.A O no hydrogen 3.196 N/A ASP 124.A N GLY 99.A O no hydrogen 3.000 N/A ALA 127.A N ASP 124.A OD1 no hydrogen 2.964 N/A ILE 128.A N ASP 124.A O no hydrogen 2.835 N/A SER 129.A N ALA 125.A O no hydrogen 2.932 N/A SER 129.A OG ALA 125.A O no hydrogen 2.909 N/A TYR 130.A N GLY 126.A O no hydrogen 2.929 N/A ALA 131.A N ALA 127.A O no hydrogen 2.966 N/A CYS 132.A N ILE 128.A O no hydrogen 2.787 N/A ARG 133.A N SER 129.A O no hydrogen 2.976 N/A ILE 135.A N ALA 131.A O no hydrogen 2.940 N/A SER 136.A N CYS 132.A O no hydrogen 2.801 N/A GLU 137.A N ARG 133.A O no hydrogen 3.362 N/A ARG 138.A N GLU 134.A O no hydrogen 2.761 N/A ARG 138.A NH1 ASN 87.A O no hydrogen 3.068 N/A ARG 138.A NH1 HIS 88.A O no hydrogen 2.821 N/A TYR 139.A N ILE 135.A O no hydrogen 2.961 N/A TYR 139.A OH HIS 89.A ND1 no hydrogen 2.616 N/A PHE 140.A N SER 136.A O no hydrogen 3.076 N/A PHE 144.A N PHE 140.A O no hydrogen 2.931 N/A TRP 145.A N ASP 141.A O no hydrogen 2.934 N/A ALA 146.A N PRO 142.A O no hydrogen 3.047 N/A ALA 147.A N ALA 143.A O no hydrogen 2.839 N/A VAL 148.A N PHE 144.A O no hydrogen 2.904 N/A ASP 149.A N TRP 145.A O no hydrogen 2.820 N/A GLY 150.A N ALA 146.A O no hydrogen 3.171 N/A GLY 150.A N ALA 147.A O no hydrogen 3.188 N/A LEU 151.A N VAL 148.A O no hydrogen 3.341 N/A TYR 153.A OH ASP 230.A O no hydrogen 2.485 N/A THR 156.A N ASP 230.A OD1 no hydrogen 2.969 N/A THR 156.A N ASP 230.A OD2 no hydrogen 3.301 N/A THR 156.A OG1 ASP 230.A OD2 no hydrogen 2.582 N/A THR 157.A N ASP 230.A OD1 no hydrogen 3.214 N/A VAL 158.A N ARG 180.A O no hydrogen 2.874 N/A ALA 159.A N LEU 231.A O no hydrogen 2.936 N/A ASP 160.A N LEU 182.A O no hydrogen 2.876 N/A LEU 161.A N THR 233.A O no hydrogen 2.859 N/A GLY 162.A N VAL 184.A O no hydrogen 2.750 N/A SER 163.A N VAL 184.A O no hydrogen 3.146 N/A GLY 164.A N ASP 185.A OD2 no hydrogen 2.865 N/A GLY 166.A N SER 163.A O no hydrogen 2.997 N/A GLU 167.A N SER 165.A OG no hydrogen 3.353 N/A ILE 170.A N GLY 166.A O no hydrogen 3.042 N/A GLN 171.A N GLU 167.A O no hydrogen 2.862 N/A GLN 171.A NE2 GLU 167.A OE2 no hydrogen 3.005 N/A ILE 172.A N ARG 168.A O no hydrogen 2.944 N/A ALA 173.A N LEU 169.A O no hydrogen 2.953 N/A ARG 174.A N ILE 170.A O no hydrogen 2.949 N/A ARG 175.A N GLN 171.A O no hydrogen 3.033 N/A ARG 175.A NH2 ASP 149.A OD1 no hydrogen 2.185 N/A PHE 176.A N ILE 172.A O no hydrogen 2.886 N/A VAL 179.A N PHE 176.A O no hydrogen 2.843 N/A ARG 180.A N THR 156.A O no hydrogen 2.753 N/A ARG 180.A NH1 ASP 205.A O no hydrogen 3.252 N/A GLY 181.A N GLN 206.A O no hydrogen 2.865 N/A LEU 182.A N VAL 158.A O no hydrogen 2.805 N/A GLY 183.A N SER 208.A O no hydrogen 2.873 N/A VAL 184.A N ASP 160.A O no hydrogen 2.955 N/A ASP 185.A N VAL 210.A O no hydrogen 3.218 N/A ALA 187.A N ASP 185.A OD1 no hydrogen 2.958 N/A ILE 191.A N ALA 187.A O no hydrogen 3.083 N/A ALA 192.A N ASP 188.A O no hydrogen 2.981 N/A MET 193.A N GLY 189.A O no hydrogen 3.062 N/A ALA 194.A N ALA 190.A O no hydrogen 2.818 N/A GLU 195.A N ILE 191.A O no hydrogen 2.826 N/A LYS 196.A N ALA 192.A O no hydrogen 3.061 N/A GLU 197.A N MET 193.A O no hydrogen 2.931 N/A VAL 198.A N ALA 194.A O no hydrogen 2.874 N/A ALA 199.A N GLU 195.A O no hydrogen 3.039 N/A ALA 200.A N LYS 196.A O no hydrogen 2.980 N/A LYS 201.A N GLU 197.A O no hydrogen 2.991 N/A LYS 201.A NZ GLU 197.A OE2 no hydrogen 2.823 N/A GLY 202.A N ALA 199.A O no hydrogen 3.094 N/A PHE 203.A N VAL 198.A O no hydrogen 2.873 N/A GLN 206.A N PHE 203.A O no hydrogen 2.932 N/A GLN 206.A NE2 VAL 179.A O no hydrogen 2.966 N/A ILE 207.A N PHE 203.A O no hydrogen 2.927 N/A SER 208.A N GLY 181.A O no hydrogen 2.950 N/A VAL 210.A N GLY 183.A O no hydrogen 2.767 N/A ARG 211.A NH1 ILE 186.A O no hydrogen 2.789 N/A GLY 212.A N ASP 185.A O no hydrogen 3.050 N/A ARG 215.A N ASP 213.A OD1 no hydrogen 2.924 N/A ARG 215.A NE ASP 213.A OD1 no hydrogen 2.908 N/A ARG 215.A NH2 ASP 213.A OD2 no hydrogen 2.910 N/A THR 216.A N ASP 213.A O no hydrogen 2.958 N/A THR 216.A OG1 ASP 213.A O no hydrogen 3.427 N/A THR 216.A OG1 GLN 219.A OE1 no hydrogen 3.540 N/A GLN 219.A N THR 216.A O no hydrogen 3.020 N/A VAL 220.A N ILE 217.A O no hydrogen 3.051 N/A GLU 225.A N ALA 222.A O no hydrogen 2.972 N/A ALA 227.A N GLY 224.A O no hydrogen 3.419 N/A GLU 228.A N GLU 225.A O no hydrogen 2.952 N/A VAL 229.A N PHE 226.A O no hydrogen 3.087 N/A ASP 230.A N THR 157.A O no hydrogen 2.842 N/A LEU 231.A N THR 157.A O no hydrogen 3.343 N/A LEU 232.A N ARG 263.A O no hydrogen 3.129 N/A THR 233.A N ALA 159.A O no hydrogen 2.962 N/A THR 233.A OG1 ALA 159.A O no hydrogen 3.454 N/A THR 233.A OG1 ASP 160.A OD1 no hydrogen 2.624 N/A CYS 234.A N LEU 265.A O no hydrogen 2.924 N/A MET 236.A N GLY 267.A O no hydrogen 2.805 N/A HIS 239.A N ASP 268.A OD2 no hydrogen 2.911 N/A HIS 239.A ND1 ASP 268.A OD2 no hydrogen 2.824 N/A ASP 240.A N MET 237.A O no hydrogen 2.904 N/A PHE 241.A N GLY 238.A O no hydrogen 2.897 N/A TRP 242.A N HIS 239.A O no hydrogen 3.013 N/A ARG 244.A NH1 GLU 310.A OE2 no hydrogen 2.751 N/A ARG 244.A NH2 GLU 310.A OE2 no hydrogen 3.221 N/A CYS 247.A N PRO 243.A O no hydrogen 3.002 N/A VAL 248.A N ARG 244.A O no hydrogen 2.927 N/A GLN 249.A N GLU 245.A O no hydrogen 3.302 N/A GLN 249.A NE2 GLU 245.A OE2 no hydrogen 2.660 N/A THR 250.A N ASN 246.A O no hydrogen 2.810 N/A THR 250.A OG1 ARG 215.A O no hydrogen 3.037 N/A THR 250.A OG1 ASN 246.A O no hydrogen 3.252 N/A LEU 251.A N CYS 247.A O no hydrogen 2.856 N/A ARG 252.A N VAL 248.A O no hydrogen 3.116 N/A ARG 252.A NE GLU 310.A O no hydrogen 2.881 N/A ARG 252.A NH2 GLU 310.A O no hydrogen 3.019 N/A LYS 253.A N GLN 249.A O no hydrogen 2.970 N/A LEU 254.A N THR 250.A O no hydrogen 2.894 N/A ARG 255.A N LEU 251.A O no hydrogen 2.977 N/A ARG 255.A NE ARG 255.A O no hydrogen 2.999 N/A ARG 255.A NH2 PHE 258.A O no hydrogen 2.910 N/A ARG 255.A NH2 VAL 261.A O no hydrogen 2.879 N/A ALA 256.A N ARG 252.A O no hydrogen 3.039 N/A ALA 257.A N LYS 253.A O no hydrogen 2.705 N/A PHE 258.A N LEU 254.A O no hydrogen 3.116 N/A ASN 260.A ND2 ALA 227.A O no hydrogen 2.629 N/A VAL 261.A N PHE 258.A O no hydrogen 3.136 N/A ARG 262.A N ASP 230.A O no hydrogen 3.192 N/A ARG 263.A N TYR 153.A OH no hydrogen 3.067 N/A ARG 263.A NE GLU 333.A OE1 no hydrogen 2.874 N/A ARG 263.A NH1 GLY 150.A O no hydrogen 3.037 N/A ARG 263.A NH2 GLU 333.A OE1 no hydrogen 2.846 N/A PHE 264.A N LEU 332.A O no hydrogen 2.878 N/A LEU 265.A N LEU 232.A O no hydrogen 2.806 N/A LEU 266.A N PHE 330.A O no hydrogen 2.972 N/A GLY 267.A N CYS 234.A O no hydrogen 2.969 N/A ASP 268.A N VAL 328.A O no hydrogen 3.103 N/A THR 270.A N VAL 326.A O no hydrogen 2.987 N/A THR 270.A OG1 VAL 326.A O no hydrogen 2.862 N/A ARG 271.A N PRO 299.A O no hydrogen 2.874 N/A ARG 271.A NE LEU 298.A O no hydrogen 3.025 N/A ARG 271.A NH1 ASP 292.A OD2 no hydrogen 3.078 N/A ARG 271.A NH2 ASP 292.A OD1 no hydrogen 2.935 N/A THR 272.A N GLU 288.A OE2 no hydrogen 2.814 N/A THR 272.A OG1 GLU 288.A OE1 no hydrogen 3.444 N/A THR 272.A OG1 GLU 288.A OE2 no hydrogen 2.627 N/A GLU 279.A N PRO 276.A O no hydrogen 2.757 N/A LEU 280.A N ASP 277.A O no hydrogen 3.495 N/A THR 284.A OG1 SER 325.A OG no hydrogen 2.861 N/A PHE 287.A N PHE 283.A O no hydrogen 2.924 N/A GLU 288.A N THR 284.A O no hydrogen 3.128 N/A PHE 289.A N LEU 285.A O no hydrogen 2.882 N/A GLY 290.A N GLY 286.A O no hydrogen 2.848 N/A HIS 291.A N PHE 287.A O no hydrogen 3.128 N/A HIS 291.A ND1 PHE 287.A O no hydrogen 2.802 N/A HIS 291.A NE2 HIS 239.A NE2 no hydrogen 3.019 N/A ASP 292.A N GLU 288.A O no hydrogen 2.911 N/A MET 293.A N PHE 289.A O no hydrogen 2.827 N/A MET 294.A N GLY 290.A O no hydrogen 2.872 N/A GLY 295.A N ASP 292.A O no hydrogen 3.183 N/A GLU 296.A N HIS 291.A O no hydrogen 2.875 N/A TYR 297.A OH GLU 303.A OE2 no hydrogen 2.507 N/A THR 300.A N GLU 303.A OE1 no hydrogen 2.974 N/A THR 300.A OG1 GLU 303.A OE1 no hydrogen 3.556 N/A GLU 303.A N THR 300.A OG1 no hydrogen 3.029 N/A TRP 304.A N THR 300.A O no hydrogen 3.110 N/A ASP 305.A N LEU 301.A O no hydrogen 2.915 N/A GLY 306.A N ASP 302.A O no hydrogen 2.901 N/A VAL 307.A N TRP 304.A O no hydrogen 2.918 N/A GLY 311.A N VAL 307.A O no hydrogen 2.911 N/A GLY 312.A N GLU 309.A O no hydrogen 3.049 N/A TRP 313.A N PHE 308.A O no hydrogen 2.876 N/A TRP 313.A NE1 LEU 251.A O no hydrogen 2.971 N/A ARG 314.A N GLU 333.A O no hydrogen 2.741 N/A CYS 315.A SG LYS 317.A O no hydrogen 3.689 N/A VAL 316.A N GLU 331.A O no hydrogen 2.838 N/A LYS 318.A NZ ASP 305.A OD1 no hydrogen 3.113 N/A HIS 319.A N VAL 329.A O no hydrogen 2.828 N/A HIS 319.A NE2 GLU 331.A OE2 no hydrogen 2.707 N/A ILE 321.A N SER 327.A O no hydrogen 2.921 N/A SER 325.A OG THR 284.A OG1 no hydrogen 2.861 N/A SER 327.A OG LEU 324.A O no hydrogen 2.782 N/A VAL 328.A N ASP 268.A O no hydrogen 2.977 N/A VAL 329.A N HIS 319.A O no hydrogen 3.004 N/A PHE 330.A N LEU 266.A O no hydrogen 2.732 N/A GLU 331.A N LYS 317.A O no hydrogen 2.858 N/A LEU 332.A N PHE 264.A O no hydrogen 2.901 N/A GLU 333.A N ARG 314.A O no hydrogen 2.943 N/A