Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5cav_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 1.A OE1 no hydrogen 3.130 N/A LEU 11.A N ILE 84.A O no hydrogen 2.831 N/A LYS 12.A N GLU 15.A OE2 no hydrogen 2.909 N/A GLU 15.A N LYS 12.A O no hydrogen 3.019 N/A LYS 17.A N LEU 34.A O no hydrogen 2.895 N/A LYS 17.A NZ THR 14.A O no hydrogen 2.958 N/A LYS 18.A NZ GLU 50.A OE2 no hydrogen 2.930 N/A LYS 18.A NZ GLN 91.A OE1 no hydrogen 3.467 N/A ILE 19.A N LYS 32.A O no hydrogen 2.755 N/A LYS 20.A N LYS 32.A O no hydrogen 3.438 N/A LEU 22.A N VAL 30.A O no hydrogen 2.783 N/A GLY 23.A N VAL 30.A O no hydrogen 3.392 N/A THR 29.A N GLU 50.A O no hydrogen 3.330 N/A THR 29.A OG1 GLU 50.A OE1 no hydrogen 3.474 N/A VAL 30.A N GLY 23.A O no hydrogen 2.816 N/A TYR 31.A N ILE 48.A O no hydrogen 2.768 N/A TYR 31.A OH GLU 50.A OE1 no hydrogen 3.198 N/A LYS 32.A N LYS 20.A O no hydrogen 2.778 N/A GLY 33.A N VAL 46.A O no hydrogen 2.893 N/A LEU 34.A N LYS 17.A O no hydrogen 2.930 N/A TRP 35.A N ILE 44.A O no hydrogen 2.919 N/A TRP 35.A NE1 GLU 15.A OE1 no hydrogen 3.348 N/A ILE 36.A N GLU 15.A O no hydrogen 2.809 N/A GLU 38.A N GLU 15.A OE1 no hydrogen 3.489 N/A GLU 40.A N PRO 37.A O no hydrogen 3.099 N/A LYS 41.A NZ ASP 295.A OD2 no hydrogen 3.095 N/A LYS 43.A N ASP 295.A O no hydrogen 2.957 N/A LYS 43.A NZ ASP 292.A O no hydrogen 3.473 N/A ILE 44.A N TRP 35.A O no hydrogen 2.812 N/A VAL 46.A N GLY 33.A O no hydrogen 2.792 N/A ALA 47.A N THR 94.A O no hydrogen 2.792 N/A ILE 48.A N TYR 31.A O no hydrogen 2.814 N/A LYS 49.A N LEU 92.A O no hydrogen 2.871 N/A LYS 49.A NZ GLU 66.A OE1 no hydrogen 2.886 N/A LYS 49.A NZ GLU 66.A OE2 no hydrogen 3.307 N/A GLU 50.A N THR 29.A O no hydrogen 3.308 N/A LEU 51.A N VAL 90.A O no hydrogen 3.403 N/A THR 55.A OG1 SER 88.A O no hydrogen 2.961 N/A ALA 59.A N SER 56.A O no hydrogen 3.261 N/A ASN 60.A N SER 56.A O no hydrogen 3.266 N/A ILE 63.A N ALA 59.A O no hydrogen 3.057 N/A LEU 64.A N ASN 60.A O no hydrogen 3.085 N/A ASP 65.A N LYS 61.A O no hydrogen 2.893 N/A GLU 66.A N GLU 62.A O no hydrogen 3.138 N/A ALA 67.A N ILE 63.A O no hydrogen 2.938 N/A TYR 68.A N LEU 64.A O no hydrogen 2.983 N/A VAL 69.A N ASP 65.A O no hydrogen 3.342 N/A MET 70.A N GLU 66.A O no hydrogen 2.938 N/A ALA 71.A N ALA 67.A O no hydrogen 2.952 N/A SER 72.A N VAL 69.A O no hydrogen 3.130 N/A SER 72.A OG ASN 4.A OD1 no hydrogen 2.927 N/A SER 72.A OG TYR 68.A O no hydrogen 2.695 N/A ASP 74.A N TYR 131.A OH no hydrogen 2.806 N/A HIS 77.A N ASN 75.A OD1 no hydrogen 3.077 N/A VAL 78.A N ASN 75.A O no hydrogen 3.169 N/A CYS 79.A N ILE 157.A O no hydrogen 2.869 N/A ARG 80.A NH1 GLN 306.A OE1 no hydrogen 2.750 N/A LEU 81.A N MET 70.A O no hydrogen 3.129 N/A LEU 82.A N ILE 93.A O no hydrogen 2.779 N/A GLY 83.A N ILE 93.A O no hydrogen 3.312 N/A ILE 84.A N ARG 9.A O no hydrogen 2.949 N/A CYS 85.A N GLN 91.A O no hydrogen 2.913 N/A CYS 85.A SG LEU 11.A O no hydrogen 3.335 N/A THR 87.A N CYS 85.A O no hydrogen 3.082 N/A THR 87.A OG1 THR 89.A O no hydrogen 2.685 N/A THR 89.A OG1 LEU 51.A O no hydrogen 3.491 N/A GLN 91.A N CYS 85.A O no hydrogen 3.237 N/A GLN 91.A NE2 THR 87.A OG1 no hydrogen 3.241 N/A LEU 92.A N LYS 49.A O no hydrogen 2.936 N/A ILE 93.A N GLY 83.A O no hydrogen 2.799 N/A THR 94.A N ALA 47.A O no hydrogen 2.922 N/A THR 94.A OG1 ALA 47.A O no hydrogen 3.015 N/A GLN 95.A NE2 ASP 298.A OD1 no hydrogen 3.172 N/A GLN 95.A NE2 ASP 300.A OD2 no hydrogen 3.335 N/A LEU 96.A N PRO 45.A O no hydrogen 3.123 N/A PHE 99.A N VAL 149.A O no hydrogen 3.154 N/A GLY 100.A N MET 97.A O no hydrogen 3.120 N/A LEU 102.A N VAL 147.A O no hydrogen 2.774 N/A LEU 103.A N ALA 144.A O no hydrogen 3.257 N/A TYR 105.A N CYS 101.A O no hydrogen 3.078 N/A VAL 106.A N LEU 102.A O no hydrogen 2.835 N/A ARG 107.A N LEU 103.A O no hydrogen 3.278 N/A ARG 107.A NE GLY 215.A O no hydrogen 2.758 N/A ARG 107.A NH2 GLY 215.A O no hydrogen 2.990 N/A GLU 108.A N ASP 104.A O no hydrogen 2.849 N/A HIS 109.A N TYR 105.A O no hydrogen 2.924 N/A HIS 109.A ND1 TYR 105.A O no hydrogen 3.044 N/A LYS 110.A NZ PHE 214.A O no hydrogen 2.841 N/A ASN 112.A N HIS 109.A O no hydrogen 2.808 N/A SER 115.A N ASP 288.A OD1 no hydrogen 3.135 N/A SER 115.A OG ASP 288.A OD1 no hydrogen 3.229 N/A SER 115.A OG ASP 288.A OD2 no hydrogen 2.722 N/A GLN 116.A NE2 GLN 116.A O no hydrogen 3.580 N/A GLN 116.A NE2 ASN 120.A OD1 no hydrogen 3.302 N/A GLN 116.A NE2 ALA 276.A O no hydrogen 2.807 N/A TYR 117.A OH GLN 153.A OE1 no hydrogen 3.052 N/A LEU 118.A N GLY 114.A O no hydrogen 3.156 N/A LEU 119.A N SER 115.A O no hydrogen 3.041 N/A ASN 120.A N GLN 116.A O no hydrogen 3.051 N/A TRP 121.A N TYR 117.A O no hydrogen 2.975 N/A TRP 121.A NE1 PRO 152.A O no hydrogen 2.779 N/A CYS 122.A N LEU 118.A O no hydrogen 3.185 N/A CYS 122.A SG LEU 118.A O no hydrogen 3.273 N/A VAL 123.A N LEU 119.A O no hydrogen 3.104 N/A GLN 124.A N ASN 120.A O no hydrogen 2.984 N/A GLN 124.A NE2 GLN 153.A O no hydrogen 2.810 N/A ILE 125.A N TRP 121.A O no hydrogen 2.854 N/A ALA 126.A N CYS 122.A O no hydrogen 2.994 N/A LYS 127.A N VAL 123.A O no hydrogen 2.865 N/A GLY 128.A N GLN 124.A O no hydrogen 3.138 N/A MET 129.A N ILE 125.A O no hydrogen 2.951 N/A ASN 130.A N ALA 126.A O no hydrogen 2.894 N/A TYR 131.A N LYS 127.A O no hydrogen 3.076 N/A LEU 132.A N GLY 128.A O no hydrogen 3.112 N/A GLU 133.A N MET 129.A O no hydrogen 3.073 N/A ASP 134.A N ASN 130.A O no hydrogen 3.004 N/A ARG 135.A N TYR 131.A O no hydrogen 2.865 N/A ARG 135.A NH1 SER 72.A O no hydrogen 3.247 N/A ARG 136.A N GLU 133.A O no hydrogen 3.079 N/A LEU 137.A N LEU 132.A O no hydrogen 2.747 N/A VAL 138.A N LYS 164.A O no hydrogen 2.994 N/A HIS 139.A N ASP 200.A OD1 no hydrogen 2.904 N/A HIS 139.A NE2 THR 158.A O no hydrogen 2.825 N/A ARG 140.A N ASP 200.A OD2 no hydrogen 3.204 N/A ARG 140.A NH1 LEU 162.A O no hydrogen 2.903 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.131 N/A ALA 144.A N GLU 210.A OE2 no hydrogen 3.026 N/A ARG 145.A NH1 ASP 141.A OD1 no hydrogen 3.343 N/A ARG 145.A NH1 ASP 141.A OD2 no hydrogen 2.827 N/A ARG 145.A NH2 ASP 141.A OD2 no hydrogen 3.266 N/A ASN 146.A N ALA 143.A O no hydrogen 2.921 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.744 N/A LEU 148.A N LYS 156.A O no hydrogen 2.882 N/A VAL 149.A N GLY 100.A O no hydrogen 2.809 N/A LYS 150.A N HIS 154.A O no hydrogen 2.860 N/A LYS 150.A NZ ASP 298.A OD2 no hydrogen 3.556 N/A LYS 150.A NZ ASP 300.A OD2 no hydrogen 2.803 N/A THR 151.A N HIS 154.A O no hydrogen 3.243 N/A HIS 154.A N THR 151.A O no hydrogen 2.812 N/A HIS 154.A NE2 PRO 76.A O no hydrogen 2.784 N/A VAL 155.A N GLN 124.A OE1 no hydrogen 2.786 N/A LYS 156.A N LEU 148.A O no hydrogen 2.937 N/A LYS 156.A NZ GLN 95.A OE1 no hydrogen 2.958 N/A LYS 156.A NZ ASP 300.A OD1 no hydrogen 2.794 N/A LYS 156.A NZ ASP 300.A OD2 no hydrogen 3.065 N/A ILE 157.A N HIS 77.A O no hydrogen 2.888 N/A THR 158.A N ASN 146.A O no hydrogen 2.851 N/A LYS 164.A N VAL 138.A O no hydrogen 2.948 N/A LEU 166.A N ARG 136.A O no hydrogen 2.966 N/A GLU 170.A N GLY 167.A O no hydrogen 3.157 N/A TYR 173.A N TYR 195.A O no hydrogen 2.806 N/A ALA 175.A N ARG 193.A O no hydrogen 3.079 N/A LYS 183.A NZ TYR 219.A O no hydrogen 3.257 N/A LYS 183.A NZ ILE 222.A O no hydrogen 2.917 N/A TRP 184.A N PRO 181.A O no hydrogen 3.377 N/A TRP 184.A NE1 GLU 210.A OE2 no hydrogen 2.753 N/A MET 185.A N ILE 182.A O no hydrogen 3.194 N/A SER 189.A N ALA 186.A O no hydrogen 3.175 N/A SER 189.A OG ILE 194.A O no hydrogen 2.943 N/A ILE 190.A N ALA 186.A O no hydrogen 3.235 N/A LEU 191.A N LEU 187.A O no hydrogen 2.939 N/A HIS 192.A N GLU 188.A O no hydrogen 2.869 N/A ARG 193.A N SER 189.A O no hydrogen 3.132 N/A ARG 193.A NE GLU 176.A O no hydrogen 2.890 N/A ARG 193.A NH1 GLU 176.A O no hydrogen 3.007 N/A ILE 194.A N GLU 188.A O no hydrogen 3.267 N/A TYR 195.A N TYR 173.A O no hydrogen 2.866 N/A THR 196.A N SER 199.A OG no hydrogen 2.915 N/A THR 196.A OG1 LYS 171.A O no hydrogen 3.306 N/A GLN 198.A NE2 ALA 259.A O no hydrogen 3.077 N/A GLN 198.A NE2 PRO 263.A O no hydrogen 3.260 N/A SER 199.A N THR 196.A O no hydrogen 3.264 N/A SER 199.A OG THR 196.A O no hydrogen 2.706 N/A ASP 200.A N THR 196.A O no hydrogen 3.370 N/A VAL 201.A N HIS 197.A O no hydrogen 3.107 N/A TRP 202.A N GLN 198.A O no hydrogen 3.437 N/A SER 203.A N SER 199.A O no hydrogen 3.296 N/A SER 203.A OG TRP 184.A O no hydrogen 2.690 N/A SER 203.A OG SER 199.A O no hydrogen 3.445 N/A TYR 204.A N ASP 200.A O no hydrogen 2.805 N/A TYR 204.A OH CYS 122.A O no hydrogen 2.672 N/A GLY 205.A N VAL 201.A O no hydrogen 2.988 N/A VAL 206.A N TRP 202.A O no hydrogen 3.154 N/A THR 207.A N SER 203.A O no hydrogen 2.963 N/A THR 207.A OG1 SER 203.A O no hydrogen 2.695 N/A VAL 208.A N TYR 204.A O no hydrogen 2.952 N/A TRP 209.A N GLY 205.A O no hydrogen 3.017 N/A TRP 209.A NE1 PRO 238.A O no hydrogen 2.759 N/A GLU 210.A N VAL 206.A O no hydrogen 2.950 N/A LEU 211.A N THR 207.A O no hydrogen 3.125 N/A MET 212.A N VAL 208.A O no hydrogen 2.857 N/A THR 213.A N TRP 209.A O no hydrogen 2.967 N/A THR 213.A N GLU 210.A O no hydrogen 3.363 N/A THR 213.A OG1 TRP 209.A O no hydrogen 2.810 N/A THR 213.A OG1 GLU 210.A O no hydrogen 2.868 N/A PHE 214.A N LEU 211.A O no hydrogen 2.988 N/A GLY 215.A N GLU 210.A O no hydrogen 2.786 N/A SER 216.A N THR 213.A OG1 no hydrogen 3.392 N/A SER 216.A OG THR 213.A O no hydrogen 3.175 N/A ILE 222.A N TYR 219.A O no hydrogen 3.090 N/A GLU 226.A N PRO 223.A O no hydrogen 2.992 N/A ILE 230.A N GLU 226.A O no hydrogen 2.910 N/A LEU 231.A N ILE 227.A O no hydrogen 2.879 N/A GLU 232.A N SER 228.A O no hydrogen 3.122 N/A LYS 233.A N SER 229.A O no hydrogen 3.293 N/A GLY 234.A N LEU 231.A O no hydrogen 3.123 N/A GLU 235.A N ILE 230.A O no hydrogen 3.185 N/A ARG 236.A NE TRP 255.A O no hydrogen 2.775 N/A ARG 236.A NH1 LEU 231.A O no hydrogen 2.932 N/A ARG 236.A NH1 GLU 235.A O no hydrogen 2.805 N/A ARG 236.A NH2 TRP 255.A O no hydrogen 2.992 N/A GLN 239.A NE2 CYS 243.A O no hydrogen 2.813 N/A CYS 243.A N PRO 240.A O no hydrogen 2.817 N/A THR 244.A N TYR 282.A O no hydrogen 3.411 N/A THR 244.A OG1 TYR 282.A O no hydrogen 2.814 N/A TYR 248.A N THR 244.A O no hydrogen 3.157 N/A TYR 248.A OH LEU 237.A O no hydrogen 2.690 N/A MET 249.A N ILE 245.A O no hydrogen 2.804 N/A ILE 250.A N VAL 247.A O no hydrogen 3.015 N/A MET 251.A N VAL 247.A O no hydrogen 3.236 N/A VAL 252.A N TYR 248.A O no hydrogen 2.799 N/A LYS 253.A N MET 249.A O no hydrogen 3.046 N/A CYS 254.A N ILE 250.A O no hydrogen 3.293 N/A CYS 254.A SG ILE 250.A O no hydrogen 3.384 N/A TRP 255.A N VAL 252.A O no hydrogen 2.894 N/A SER 261.A N ASP 258.A O no hydrogen 3.139 N/A SER 261.A OG ASP 258.A OD2 no hydrogen 2.728 N/A ARG 262.A N ALA 259.A O no hydrogen 3.214 N/A ARG 262.A NE MET 256.A O no hydrogen 2.758 N/A ARG 262.A NH1 GLU 188.A OE2 no hydrogen 2.787 N/A ARG 262.A NH1 MET 256.A O no hydrogen 2.812 N/A ARG 262.A NH2 GLU 188.A OE2 no hydrogen 3.009 N/A ARG 262.A NH2 GLN 198.A O no hydrogen 2.934 N/A LYS 264.A N GLU 267.A OE1 no hydrogen 2.941 N/A LYS 264.A NZ ASP 260.A O no hydrogen 3.087 N/A LYS 264.A NZ ARG 262.A O no hydrogen 3.004 N/A GLU 267.A N LYS 264.A O no hydrogen 2.859 N/A LEU 268.A N LYS 264.A O no hydrogen 3.129 N/A ILE 269.A N PHE 265.A O no hydrogen 3.222 N/A GLU 271.A N GLU 267.A O no hydrogen 2.874 N/A PHE 272.A N LEU 268.A O no hydrogen 3.024 N/A SER 273.A N ILE 269.A O no hydrogen 2.914 N/A SER 273.A OG ILE 269.A O no hydrogen 2.739 N/A LYS 274.A N ILE 270.A O no hydrogen 3.125 N/A LYS 274.A NZ GLU 271.A OE1 no hydrogen 3.503 N/A MET 275.A N GLU 271.A O no hydrogen 3.265 N/A ALA 276.A N PHE 272.A O no hydrogen 2.779 N/A ARG 277.A N LYS 274.A O no hydrogen 3.303 N/A ASP 278.A N MET 275.A O no hydrogen 3.278 N/A ARG 281.A N ASP 278.A O no hydrogen 3.270 N/A TYR 282.A N PRO 279.A O no hydrogen 3.267 N/A LEU 283.A N PRO 279.A O no hydrogen 2.959 N/A VAL 284.A N ILE 242.A O no hydrogen 2.864 N/A ASP 288.A N ILE 285.A O no hydrogen 3.303 N/A ASP 289.A N GLU 290.A OE2 no hydrogen 3.143 N/A VAL 297.A N LYS 43.A O no hydrogen 2.866 N/A ASP 300.A N ASP 298.A OD2 no hydrogen 2.873 N/A GLU 301.A N ASP 298.A O no hydrogen 2.944 N/A TYR 302.A N ASP 298.A O no hydrogen 3.262 N/A TYR 302.A N ALA 299.A O no hydrogen 3.115 N/A TYR 302.A OH GLU 40.A OE2 no hydrogen 3.001 N/A