Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4o43_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N HIS 2.A ND1 no hydrogen 3.207 N/A HIS 4.A ND1 HIS 5.A O no hydrogen 2.838 N/A HIS 5.A ND1 GLU 132.A OE1 no hydrogen 3.057 N/A HIS 5.A NE2 ASP 119.A OD1 no hydrogen 2.706 N/A HIS 6.A N LYS 134.A O no hydrogen 2.843 N/A LEU 14.A N LEU 261.A O no hydrogen 2.995 N/A LYS 15.A N ASP 58.A OD2 no hydrogen 2.855 N/A LYS 15.A NZ ARG 55.A O no hydrogen 2.987 N/A LYS 15.A NZ GLU 56.A O no hydrogen 3.086 N/A ILE 16.A N VAL 259.A O no hydrogen 2.575 N/A LEU 17.A N LEU 59.A O no hydrogen 2.963 N/A HIS 18.A N VAL 257.A O no hydrogen 2.732 N/A HIS 18.A ND1 TYR 218.A OH no hydrogen 2.753 N/A HIS 18.A NE2 THR 63.A OG1 no hydrogen 3.027 N/A THR 19.A N LEU 61.A O no hydrogen 3.356 N/A SER 20.A OG ASP 21.A OD2 no hydrogen 2.407 N/A SER 20.A OG THR 63.A O no hydrogen 2.891 N/A SER 20.A OG THR 63.A OG1 no hydrogen 3.303 N/A ASP 21.A N THR 63.A O no hydrogen 3.270 N/A TRP 22.A NE1 THR 19.A OG1 no hydrogen 3.007 N/A HIS 23.A N ASP 65.A O no hydrogen 3.060 N/A HIS 23.A ND1 HIS 68.A ND1 no hydrogen 3.060 N/A LEU 24.A N LEU 66.A O no hydrogen 2.774 N/A SER 28.A N VAL 35.A O no hydrogen 3.051 N/A SER 28.A OG ILE 245.A O no hydrogen 3.311 N/A TRP 29.A NE1 ASP 246.A OD1 no hydrogen 3.182 N/A SER 32.A N TRP 29.A O no hydrogen 3.221 N/A SER 32.A OG TRP 29.A O no hydrogen 3.409 N/A SER 32.A OG VAL 328.A O no hydrogen 2.775 N/A ARG 33.A NE LEU 327.A O no hydrogen 2.630 N/A ARG 33.A NH2 MET 321.A O no hydrogen 2.526 N/A ARG 33.A NH2 LEU 327.A O no hydrogen 2.849 N/A VAL 35.A N SER 28.A O no hydrogen 3.028 N/A ARG 37.A N VAL 26.A O no hydrogen 3.489 N/A ARG 37.A NE GLU 40.A OE1 no hydrogen 3.171 N/A ARG 37.A NH1 SER 28.A OG no hydrogen 3.051 N/A ARG 37.A NH1 ARG 244.A O no hydrogen 2.903 N/A ARG 37.A NH1 ILE 245.A O no hydrogen 3.443 N/A ARG 37.A NH2 GLU 40.A OE1 no hydrogen 2.968 N/A ARG 37.A NH2 GLU 40.A OE2 no hydrogen 3.561 N/A ARG 37.A NH2 ARG 244.A O no hydrogen 2.989 N/A ARG 38.A N ASP 36.A OD1 no hydrogen 3.068 N/A ARG 38.A NE ASP 80.A OD2 no hydrogen 2.747 N/A ARG 38.A NH2 ASP 80.A OD1 no hydrogen 3.200 N/A LEU 41.A N ARG 37.A O no hydrogen 2.817 N/A LYS 42.A N ARG 38.A O no hydrogen 2.786 N/A LYS 42.A NZ TYR 84.A OH no hydrogen 2.957 N/A LYS 43.A N GLU 39.A O no hydrogen 3.128 N/A ALA 44.A N GLU 40.A O no hydrogen 3.044 N/A LEU 45.A N LEU 41.A O no hydrogen 2.852 N/A ASP 46.A N LYS 42.A O no hydrogen 2.859 N/A LYS 47.A N LYS 43.A O no hydrogen 3.296 N/A LYS 47.A NZ ASP 273.A O no hydrogen 3.256 N/A VAL 48.A N ALA 44.A O no hydrogen 3.240 N/A VAL 49.A N LEU 45.A O no hydrogen 3.090 N/A GLU 50.A N ASP 46.A O no hydrogen 3.007 N/A GLU 51.A N LYS 47.A O no hydrogen 3.169 N/A ALA 52.A N VAL 48.A O no hydrogen 3.080 N/A GLU 53.A N VAL 49.A O no hydrogen 3.180 N/A LYS 54.A N GLU 50.A O no hydrogen 2.817 N/A ARG 55.A N GLU 51.A O no hydrogen 3.064 N/A ARG 55.A NE GLU 51.A OE1 no hydrogen 2.898 N/A ARG 55.A NH1 GLU 270.A OE1 no hydrogen 2.860 N/A ARG 55.A NH2 GLU 270.A OE1 no hydrogen 3.475 N/A VAL 57.A N ALA 52.A O no hydrogen 3.197 N/A ASP 58.A N LYS 15.A O no hydrogen 2.667 N/A LEU 59.A N LYS 15.A O no hydrogen 3.059 N/A ILE 60.A N PRO 93.A O no hydrogen 2.863 N/A LEU 61.A N LEU 17.A O no hydrogen 2.837 N/A LEU 62.A N VAL 95.A O no hydrogen 2.883 N/A THR 63.A OG1 HIS 18.A NE2 no hydrogen 3.027 N/A THR 63.A OG1 LEU 221.A O no hydrogen 3.054 N/A ASP 65.A N ASP 21.A OD1 no hydrogen 3.495 N/A HIS 68.A N LEU 24.A O no hydrogen 3.130 N/A HIS 68.A ND1 HIS 23.A ND1 no hydrogen 3.060 N/A SER 69.A OG ASN 72.A O no hydrogen 2.747 N/A ALA 77.A N SER 74.A OG no hydrogen 3.182 N/A LEU 78.A N SER 74.A O no hydrogen 2.985 N/A HIS 79.A N VAL 75.A O no hydrogen 2.907 N/A ASP 80.A N VAL 76.A O no hydrogen 2.982 N/A LEU 81.A N ALA 77.A O no hydrogen 3.040 N/A LEU 82.A N LEU 78.A O no hydrogen 3.054 N/A ASP 83.A N HIS 79.A O no hydrogen 2.876 N/A TYR 84.A N ASP 80.A O no hydrogen 2.940 N/A TYR 84.A OH ASP 46.A OD1 no hydrogen 3.020 N/A LEU 85.A N LEU 81.A O no hydrogen 2.909 N/A LYS 86.A N LEU 82.A O no hydrogen 3.150 N/A ARG 87.A N ASP 83.A O no hydrogen 3.040 N/A ARG 87.A NE ASP 83.A OD1 no hydrogen 2.972 N/A ARG 87.A NH2 ASP 83.A OD1 no hydrogen 3.535 N/A ARG 87.A NH2 ASP 83.A OD2 no hydrogen 3.366 N/A MET 88.A N TYR 84.A O no hydrogen 2.910 N/A MET 89.A N LEU 85.A O no hydrogen 3.063 N/A ARG 90.A N LYS 86.A O no hydrogen 3.130 N/A THR 91.A N MET 88.A O no hydrogen 3.068 N/A THR 91.A OG1 GLU 53.A OE2 no hydrogen 3.473 N/A THR 91.A OG1 ARG 87.A O no hydrogen 3.322 N/A ALA 92.A N MET 88.A O no hydrogen 2.991 N/A VAL 94.A N ASP 119.A O no hydrogen 2.896 N/A VAL 95.A N ILE 60.A O no hydrogen 2.814 N/A VAL 96.A N THR 121.A O no hydrogen 2.808 N/A LEU 97.A N LEU 62.A O no hydrogen 2.913 N/A HIS 101.A ND1 GLY 99.A O no hydrogen 3.007 N/A LEU 106.A N TRP 103.A O no hydrogen 3.448 N/A PHE 109.A N GLY 105.A O no hydrogen 3.214 N/A GLY 110.A N LEU 106.A O no hydrogen 2.832 N/A ASN 111.A N LYS 107.A O no hydrogen 3.013 N/A PHE 112.A N LEU 108.A O no hydrogen 3.011 N/A VAL 113.A N PHE 109.A O no hydrogen 2.930 N/A THR 114.A N GLY 110.A O no hydrogen 3.107 N/A THR 114.A OG1 GLY 110.A O no hydrogen 2.767 N/A SER 115.A N ASN 111.A O no hydrogen 3.028 N/A SER 115.A OG ASN 111.A O no hydrogen 2.694 N/A ILE 116.A N PHE 112.A O no hydrogen 3.118 N/A ASP 119.A N SER 117.A OG no hydrogen 3.212 N/A THR 121.A N VAL 94.A O no hydrogen 2.826 N/A PHE 122.A N THR 114.A OG1 no hydrogen 2.873 N/A VAL 123.A N VAL 96.A O no hydrogen 3.009 N/A SER 125.A OG GLU 127.A OE2 no hydrogen 3.298 N/A GLU 127.A N SER 125.A OG no hydrogen 3.246 N/A VAL 129.A N ILE 141.A O no hydrogen 3.211 N/A VAL 131.A N VAL 139.A O no hydrogen 2.757 N/A ALA 133.A N GLN 137.A O no hydrogen 2.883 N/A LYS 134.A N ASP 58.A O no hydrogen 2.803 N/A LYS 134.A NZ THR 91.A O no hydrogen 2.791 N/A ARG 135.A N GLN 137.A OE1 no hydrogen 3.004 N/A ARG 135.A NE ASP 58.A OD1 no hydrogen 2.869 N/A ARG 135.A NH2 ASP 58.A OD2 no hydrogen 2.771 N/A GLY 136.A N ALA 133.A O no hydrogen 3.184 N/A GLN 137.A N GLN 137.A OE1 no hydrogen 2.642 N/A GLN 137.A NE2 GLU 13.A O no hydrogen 2.975 N/A LYS 138.A N ASP 180.A OD2 no hydrogen 3.352 N/A VAL 139.A N VAL 131.A O no hydrogen 2.887 N/A ARG 140.A N PHE 181.A O no hydrogen 2.913 N/A ILE 141.A N VAL 129.A O no hydrogen 2.755 N/A LEU 142.A N ILE 183.A O no hydrogen 2.799 N/A PHE 144.A N MET 185.A O no hydrogen 2.556 N/A GLU 151.A N ASP 148.A O no hydrogen 3.139 N/A ARG 154.A N SER 150.A O no hydrogen 2.919 N/A GLY 158.A N ASN 156.A OD1 no hydrogen 2.946 N/A ASP 159.A N ASN 156.A OD1 no hydrogen 2.893 N/A PHE 160.A N ASN 156.A O no hydrogen 2.971 N/A ARG 161.A NE GLU 157.A OE1 no hydrogen 3.154 N/A PHE 162.A N GLY 158.A O no hydrogen 3.164 N/A PHE 163.A N ASP 159.A O no hydrogen 2.508 N/A LEU 164.A N PHE 160.A O no hydrogen 2.936 N/A GLU 165.A N ARG 161.A O no hydrogen 3.218 N/A SER 166.A N PHE 162.A O no hydrogen 2.984 N/A SER 166.A OG.A PHE 162.A O no hydrogen 3.188 N/A SER 166.A OG.A PHE 163.A O no hydrogen 2.518 N/A SER 166.A OG.B PHE 162.A O no hydrogen 2.650 N/A ARG 167.A N PHE 163.A O no hydrogen 3.056 N/A LEU 168.A N LEU 164.A O no hydrogen 3.058 N/A ASN 169.A N GLU 165.A O no hydrogen 2.839 N/A LYS 170.A N SER 166.A O no hydrogen 3.078 N/A LEU 171.A N ARG 167.A O no hydrogen 3.067 N/A TYR 172.A N LEU 168.A O no hydrogen 2.988 N/A GLU 173.A N ASN 169.A O no hydrogen 3.038 N/A GLU 174.A N LYS 170.A O no hydrogen 3.024 N/A ALA 175.A N TYR 172.A O no hydrogen 3.100 N/A LEU 176.A N TYR 172.A O no hydrogen 3.309 N/A LYS 177.A N GLU 174.A O no hydrogen 3.230 N/A PHE 181.A N LYS 138.A O no hydrogen 3.163 N/A ALA 182.A N ASP 217.A OD2 no hydrogen 3.219 N/A ILE 183.A N ARG 140.A O no hydrogen 2.864 N/A PHE 184.A N TYR 218.A O no hydrogen 2.785 N/A MET 185.A N LEU 142.A O no hydrogen 3.053 N/A GLY 186.A N ALA 220.A O no hydrogen 2.882 N/A HIS 187.A N PHE 144.A O no hydrogen 3.083 N/A HIS 187.A NE2 ASP 65.A OD1 no hydrogen 3.132 N/A THR 189.A N ILE 205.A O no hydrogen 3.023 N/A VAL 190.A N TYR 238.A OH no hydrogen 3.137 N/A GLU 191.A N ILE 207.A O no hydrogen 2.964 N/A ILE 207.A N THR 189.A O no hydrogen 3.195 N/A ARG 209.A NH2 GLU 191.A O no hydrogen 3.494 N/A ALA 210.A N ASN 208.A OD1 no hydrogen 3.052 N/A LEU 211.A N ASN 208.A O no hydrogen 3.041 N/A ASP 217.A N ALA 182.A O no hydrogen 2.839 N/A TYR 218.A OH HIS 18.A ND1 no hydrogen 2.753 N/A ALA 219.A N LEU 235.A O no hydrogen 2.853 N/A ALA 220.A N PHE 184.A O no hydrogen 2.489 N/A LEU 221.A N ILE 237.A O no hydrogen 3.422 N/A HIS 223.A N ASP 21.A OD2 no hydrogen 3.166 N/A HIS 225.A ND1 GLU 249.A OE2 no hydrogen 2.551 N/A SER 226.A OG ASP 252.A OD2 no hydrogen 2.316 N/A ARG 228.A N TYR 238.A O no hydrogen 2.948 N/A ILE 230.A N THR 236.A O no hydrogen 2.825 N/A GLN 231.A NE2 ARG 209.A O no hydrogen 3.110 N/A GLN 231.A NE2 THR 236.A OG1 no hydrogen 3.136 N/A LYS 232.A NZ GLU 229.A OE1 no hydrogen 2.701 N/A THR 236.A N GLN 231.A O no hydrogen 3.197 N/A THR 236.A OG1 PRO 234.A O no hydrogen 2.967 N/A ILE 237.A N ALA 219.A O no hydrogen 3.242 N/A TYR 238.A N ARG 228.A O no hydrogen 2.826 N/A TYR 238.A OH PHE 188.A O no hydrogen 2.822 N/A SER 241.A N HIS 225.A O no hydrogen 2.950 N/A SER 241.A OG HIS 225.A O no hydrogen 3.479 N/A SER 241.A OG ILE 243.A O no hydrogen 2.643 N/A ARG 244.A NE ASP 252.A O no hydrogen 3.362 N/A ARG 244.A NH1 PRO 276.A O no hydrogen 3.412 N/A ARG 244.A NH1 LEU 277.A O no hydrogen 3.090 N/A ARG 244.A NH2 ASP 252.A O no hydrogen 2.824 N/A ILE 245.A N GLU 249.A OE1 no hydrogen 2.913 N/A PHE 247.A N ASP 246.A OD1 no hydrogen 2.681 N/A GLU 249.A N ASP 246.A O no hydrogen 3.059 N/A ASP 252.A N GLU 249.A O no hydrogen 3.313 N/A LYS 254.A NZ HIS 225.A O no hydrogen 2.667 N/A LYS 254.A NZ SER 241.A OG no hydrogen 3.237 N/A LYS 254.A NZ GLU 249.A OE1 no hydrogen 3.003 N/A LYS 254.A NZ ASP 252.A OD2 no hydrogen 3.126 N/A ALA 256.A N ILE 272.A O no hydrogen 2.849 N/A VAL 257.A N HIS 18.A O no hydrogen 2.838 N/A PHE 258.A N GLU 270.A O no hydrogen 2.897 N/A VAL 259.A N ILE 16.A O no hydrogen 2.732 N/A GLU 260.A N ARG 268.A O no hydrogen 2.984 N/A LEU 261.A N LEU 14.A O no hydrogen 2.904 N/A LYS 262.A NZ GLU 260.A OE1 no hydrogen 3.351 N/A LYS 262.A NZ GLU 265.A OE1 no hydrogen 3.478 N/A ARG 268.A N GLU 260.A O no hydrogen 3.345 N/A ARG 268.A NH1 GLU 260.A OE1 no hydrogen 2.354 N/A TYR 269.A OH GLU 229.A OE2 no hydrogen 2.356 N/A GLU 270.A N PHE 258.A O no hydrogen 2.934 N/A ILE 272.A N ALA 256.A O no hydrogen 2.739 N/A ALA 274.A N LYS 254.A O no hydrogen 3.181 N/A SER 275.A N ASP 273.A OD2 no hydrogen 2.616 N/A SER 275.A OG ALA 274.A O no hydrogen 2.619 N/A LEU 277.A N GLU 40.A OE2 no hydrogen 2.676 N/A LYS 280.A N TYR 305.A O no hydrogen 3.203 N/A THR 281.A N GLU 250.A OE1 no hydrogen 3.365 N/A THR 281.A OG1 GLU 250.A OE2 no hydrogen 3.054 N/A LEU 282.A N ARG 307.A O no hydrogen 2.758 N/A TYR 284.A N VAL 309.A O no hydrogen 2.946 N/A TYR 284.A OH SER 294.A OG no hydrogen 2.971 N/A ASP 288.A N LYS 286.A O no hydrogen 2.993 N/A ASP 288.A N ASP 288.A OD1 no hydrogen 2.600 N/A ALA 291.A N ASP 288.A OD1 no hydrogen 3.214 N/A LEU 292.A N ASP 288.A O no hydrogen 3.019 N/A LYS 293.A N THR 289.A O no hydrogen 3.172 N/A SER 294.A N SER 290.A O no hydrogen 3.148 N/A SER 294.A OG TYR 284.A OH no hydrogen 2.971 N/A ILE 295.A N ALA 291.A O no hydrogen 2.952 N/A ARG 296.A N LEU 292.A O no hydrogen 3.208 N/A ARG 296.A NE GLU 323.A OE1 no hydrogen 3.131 N/A ARG 296.A NE GLU 323.A OE2 no hydrogen 2.956 N/A ARG 296.A NH2 GLU 323.A OE1 no hydrogen 3.094 N/A ASP 297.A N LYS 293.A O no hydrogen 3.229 N/A PHE 298.A N SER 294.A O no hydrogen 3.108 N/A CYS 299.A N ILE 295.A O no hydrogen 3.027 N/A CYS 299.A SG ILE 295.A O no hydrogen 3.388 N/A ARG 300.A NH2 ASP 297.A OD2 no hydrogen 2.989 N/A TYR 305.A N PRO 278.A O no hydrogen 3.122 N/A VAL 306.A N ASN 326.A O no hydrogen 3.102 N/A ARG 307.A N LYS 280.A O no hydrogen 2.785 N/A ARG 307.A NE THR 281.A OG1 no hydrogen 3.107 N/A ARG 307.A NH2 THR 281.A OG1 no hydrogen 3.036 N/A VAL 308.A N LYS 329.A O no hydrogen 2.816 N/A VAL 309.A N LEU 282.A O no hydrogen 2.782 N/A TYR 310.A N GLU 331.A OE1 no hydrogen 3.144 N/A TYR 310.A OH ASP 313.A OD1 no hydrogen 2.992 N/A GLU 311.A N LYS 285.A O no hydrogen 3.149 N/A SER 314.A OG SER 314.A O no hydrogen 2.621 N/A LEU 320.A N PRO 318.A O no hydrogen 2.692 N/A GLY 322.A N ASP 319.A O no hydrogen 3.275 N/A GLY 322.A N ASP 319.A OD1 no hydrogen 3.228 N/A GLU 323.A N ASP 319.A O no hydrogen 3.278 N/A ILE 324.A N LEU 320.A O no hydrogen 2.881 N/A ASN 326.A ND2 PHE 302.A O no hydrogen 2.385 N/A VAL 328.A N VAL 306.A O no hydrogen 3.093 N/A