Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f7s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 2.A OD2 no hydrogen 3.006 N/A LYS 6.A N ASP 2.A O no hydrogen 2.962 N/A VAL 7.A N TYR 3.A O no hydrogen 2.965 N/A LYS 8.A N ASP 4.A O no hydrogen 2.968 N/A LYS 8.A NZ GLU 12.A OE2 no hydrogen 2.879 N/A LEU 9.A N PHE 5.A O no hydrogen 3.083 N/A SER 10.A N LYS 6.A O no hydrogen 3.002 N/A SER 11.A N VAL 7.A O no hydrogen 2.869 N/A GLU 12.A N LYS 8.A O no hydrogen 3.085 N/A ARG 13.A N SER 10.A O no hydrogen 3.411 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.735 N/A ASP 18.A N ARG 15.A O no hydrogen 3.189 N/A LEU 19.A N ARG 15.A O no hydrogen 3.341 N/A PHE 20.A N VAL 16.A O no hydrogen 3.025 N/A GLU 21.A N LYS 39.A O no hydrogen 2.880 N/A CYS 25.A N TYR 22.A O no hydrogen 3.005 N/A CYS 25.A SG GLU 23.A O no hydrogen 3.853 N/A VAL 27.A N VAL 35.A O no hydrogen 2.740 N/A GLY 28.A N VAL 35.A O no hydrogen 3.216 N/A VAL 35.A N GLY 28.A O no hydrogen 2.981 N/A TYR 36.A N LEU 51.A O no hydrogen 2.791 N/A LYS 37.A N CYS 25.A O no hydrogen 2.853 N/A ALA 38.A N TYR 49.A O no hydrogen 2.769 N/A LYS 39.A N GLU 21.A O no hydrogen 3.066 N/A LYS 41.A N LEU 19.A O no hydrogen 2.828 N/A LYS 41.A NZ GLU 17.A O no hydrogen 2.846 N/A LYS 47.A N ASP 45.A OD1 no hydrogen 2.984 N/A TYR 49.A N ALA 38.A O no hydrogen 2.861 N/A TYR 49.A OH ASP 45.A OD2 no hydrogen 2.729 N/A ALA 50.A N PHE 97.A O no hydrogen 2.703 N/A LEU 51.A N TYR 36.A O no hydrogen 2.900 N/A LYS 52.A N LEU 95.A O no hydrogen 2.820 N/A LYS 52.A NZ GLU 66.A OE1 no hydrogen 3.169 N/A LYS 52.A NZ GLU 66.A OE2 no hydrogen 2.747 N/A GLN 53.A N HIS 34.A O no hydrogen 2.920 N/A ILE 54.A N VAL 93.A O no hydrogen 2.973 N/A GLU 55.A N TYR 32.A O no hydrogen 3.075 N/A GLY 58.A N ARG 91.A O no hydrogen 2.835 N/A SER 60.A OG SER 62.A OG no hydrogen 2.957 N/A SER 62.A OG SER 60.A OG no hydrogen 2.957 N/A ALA 63.A N SER 60.A OG no hydrogen 3.280 N/A CYS 64.A N SER 60.A O no hydrogen 2.869 N/A CYS 64.A SG.A ILE 59.A O no hydrogen 3.934 N/A CYS 64.A SG.A SER 60.A O no hydrogen 3.304 N/A ARG 65.A N MET 61.A O no hydrogen 3.018 N/A ARG 65.A NE PHE 170.A O no hydrogen 2.854 N/A GLU 66.A N SER 62.A O no hydrogen 3.074 N/A ILE 67.A N ALA 63.A O no hydrogen 3.083 N/A ALA 68.A N CYS 64.A O no hydrogen 2.819 N/A LEU 69.A N ARG 65.A O no hydrogen 2.948 N/A LEU 70.A N GLU 66.A O no hydrogen 2.985 N/A ARG 71.A N ILE 67.A O no hydrogen 2.997 N/A ARG 71.A NH2 ARG 71.A O no hydrogen 3.078 N/A GLU 72.A N LEU 69.A O no hydrogen 3.047 N/A LEU 73.A N LEU 69.A O no hydrogen 2.991 N/A LYS 74.A N TYR 135.A OH no hydrogen 2.908 N/A ASN 77.A N HIS 75.A ND1 no hydrogen 3.109 N/A ASN 77.A ND2 GLN 128.A OE1 no hydrogen 3.055 N/A ASN 77.A ND2 VAL 163.A O no hydrogen 3.015 N/A VAL 78.A N HIS 75.A O no hydrogen 3.121 N/A ILE 79.A N ILE 165.A O no hydrogen 2.872 N/A GLN 82.A N LEU 96.A O no hydrogen 2.833 N/A PHE 85.A N TRP 94.A O no hydrogen 2.868 N/A SER 87.A N LYS 92.A O no hydrogen 2.845 N/A SER 87.A OG ASP 90.A OD1 no hydrogen 2.716 N/A HIS 88.A ND1 LEU 86.A O no hydrogen 3.280 N/A LYS 92.A N SER 87.A O no hydrogen 3.215 N/A LYS 92.A NZ ILE 54.A O no hydrogen 2.920 N/A LYS 92.A NZ GLY 56.A O no hydrogen 2.749 N/A TRP 94.A N PHE 85.A O no hydrogen 2.835 N/A LEU 95.A N LYS 52.A O no hydrogen 2.863 N/A LEU 96.A N LYS 83.A O no hydrogen 2.901 N/A PHE 97.A N ALA 50.A O no hydrogen 2.781 N/A TYR 99.A N ASP 48.A O no hydrogen 3.247 N/A HIS 102.A N VAL 153.A O no hydrogen 3.044 N/A LEU 104.A N ILE 151.A O no hydrogen 2.938 N/A HIS 106.A N ASP 103.A OD2 no hydrogen 2.993 N/A HIS 106.A ND1 ASP 103.A OD1 no hydrogen 3.196 N/A HIS 106.A ND1 ASP 103.A OD2 no hydrogen 3.259 N/A ILE 107.A N ASP 103.A O no hydrogen 2.949 N/A ILE 108.A N LEU 104.A O no hydrogen 2.805 N/A LYS 109.A N TRP 105.A O no hydrogen 2.970 N/A PHE 110.A N HIS 106.A O no hydrogen 2.999 N/A HIS 111.A N ILE 107.A O no hydrogen 3.279 N/A ARG 112.A N ILE 108.A O no hydrogen 2.983 N/A ALA 113.A N LYS 109.A O no hydrogen 2.763 N/A SER 114.A N PHE 110.A O no hydrogen 2.840 N/A LYS 115.A N HIS 111.A O no hydrogen 3.046 N/A LYS 115.A NZ GLN 116.A OE1 no hydrogen 3.405 N/A GLN 116.A NE2 LEU 213.A O no hydrogen 3.506 N/A ARG 119.A NH2 ASP 318.A OD2 no hydrogen 3.230 N/A MET 121.A N PRO 118.A O no hydrogen 2.999 N/A LYS 123.A NZ TYR 314.A O no hydrogen 2.756 N/A LYS 123.A NZ PRO 319.A O no hydrogen 2.736 N/A SER 124.A N GLY 120.A O no hydrogen 2.844 N/A SER 124.A OG GLY 120.A O no hydrogen 2.568 N/A SER 124.A OG THR 322.A OG1 no hydrogen 3.401 N/A LEU 125.A N MET 121.A O no hydrogen 2.918 N/A LEU 126.A N VAL 122.A O no hydrogen 2.951 N/A TYR 127.A N LYS 123.A O no hydrogen 2.942 N/A GLN 128.A N SER 124.A O no hydrogen 3.097 N/A GLN 128.A NE2 THR 322.A O no hydrogen 3.041 N/A GLN 128.A NE2 SER 323.A O no hydrogen 2.919 N/A ILE 129.A N LEU 125.A O no hydrogen 2.974 N/A LEU 130.A N LEU 126.A O no hydrogen 3.003 N/A ASP 131.A N TYR 127.A O no hydrogen 2.908 N/A GLY 132.A N GLN 128.A O no hydrogen 2.995 N/A ILE 133.A N ILE 129.A O no hydrogen 3.036 N/A HIS 134.A N LEU 130.A O no hydrogen 2.839 N/A TYR 135.A N ASP 131.A O no hydrogen 3.151 N/A LEU 136.A N GLY 132.A O no hydrogen 3.091 N/A HIS 137.A N ILE 133.A O no hydrogen 2.802 N/A HIS 137.A NE2 ASP 201.A OD2 no hydrogen 2.770 N/A ALA 138.A N HIS 134.A O no hydrogen 2.833 N/A ASN 139.A N TYR 135.A O no hydrogen 3.281 N/A ASN 139.A N LEU 136.A O no hydrogen 3.035 N/A ASN 139.A ND2 TYR 135.A O no hydrogen 2.904 N/A TRP 140.A N HIS 137.A O no hydrogen 2.971 N/A VAL 141.A N LEU 136.A O no hydrogen 2.942 N/A HIS 143.A N ASP 201.A OD2 no hydrogen 2.942 N/A HIS 143.A NE2 ALA 166.A O no hydrogen 2.765 N/A ARG 144.A N ASP 201.A OD1 no hydrogen 3.067 N/A ARG 144.A NE GLY 169.A O no hydrogen 2.884 N/A ARG 144.A NH1 ASN 175.A OD1 no hydrogen 2.686 N/A ARG 144.A NH2 GLY 169.A O no hydrogen 2.825 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 3.217 N/A ASN 150.A N LYS 147.A O no hydrogen 3.044 N/A ASN 150.A ND2 ASP 145.A O no hydrogen 2.694 N/A ILE 151.A N PRO 148.A O no hydrogen 3.181 N/A LEU 152.A N LYS 164.A O no hydrogen 2.966 N/A VAL 153.A N HIS 102.A O no hydrogen 2.869 N/A MET 154.A N ARG 162.A O no hydrogen 3.013 N/A ARG 160.A N GLY 157.A O no hydrogen 3.442 N/A ARG 160.A NE GLU 156.A OE1 no hydrogen 3.305 N/A ARG 160.A NE GLU 156.A OE2 no hydrogen 3.302 N/A ARG 160.A NH1 ASP 324.A OD2 no hydrogen 2.837 N/A ARG 160.A NH1 CYS 329.A O no hydrogen 3.240 N/A ARG 160.A NH2 GLU 156.A OE2 no hydrogen 3.142 N/A ARG 160.A NH2 CYS 329.A O no hydrogen 2.710 N/A GLY 161.A N MET 154.A O no hydrogen 2.907 N/A ARG 162.A N GLU 159.A O no hydrogen 3.061 N/A ARG 162.A NH1 GLU 159.A OE1 no hydrogen 2.834 N/A VAL 163.A N GLN 128.A OE1 no hydrogen 2.885 N/A LYS 164.A N LEU 152.A O no hydrogen 2.988 N/A LYS 164.A NZ PRO 76.A O no hydrogen 2.694 N/A LYS 164.A NZ GLU 159.A OE1 no hydrogen 2.726 N/A ILE 165.A N ASN 77.A O no hydrogen 2.823 N/A ALA 166.A N ASN 150.A O no hydrogen 2.990 N/A GLY 169.A N HIS 143.A O no hydrogen 2.751 N/A PHE 170.A N MET 168.A O no hydrogen 2.952 N/A ARG 172.A NE TYR 196.A OH no hydrogen 3.568 N/A ARG 172.A NH1 ALA 171.A O no hydrogen 2.844 N/A ASN 175.A N ARG 172.A O no hydrogen 2.935 N/A ASN 175.A ND2 TYR 196.A O no hydrogen 3.208 N/A SER 176.A N LEU 173.A O no hydrogen 3.023 N/A SER 176.A OG ARG 194.A O no hydrogen 3.252 N/A LEU 178.A N SER 176.A OG no hydrogen 3.174 N/A TRP 183.A N THR 181.A OG1 no hydrogen 3.159 N/A TRP 183.A NE1 CYS 221.A O no hydrogen 3.022 N/A TYR 184.A OH GLU 211.A OE1 no hydrogen 2.648 N/A ARG 185.A N PHE 182.A O no hydrogen 3.287 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.836 N/A LEU 189.A N ALA 186.A O no hydrogen 2.989 N/A LEU 190.A N ALA 186.A O no hydrogen 3.436 N/A LEU 191.A N PRO 187.A O no hydrogen 2.967 N/A GLY 192.A N LEU 189.A O no hydrogen 3.066 N/A ALA 193.A N GLU 188.A O no hydrogen 2.804 N/A TYR 196.A N ASN 175.A O no hydrogen 3.050 N/A LYS 198.A NZ HIS 137.A O no hydrogen 3.083 N/A ILE 200.A N THR 197.A O no hydrogen 3.266 N/A ILE 200.A N THR 197.A OG1 no hydrogen 3.104 N/A ILE 202.A N LYS 198.A O no hydrogen 3.203 N/A TRP 203.A N ALA 199.A O no hydrogen 3.072 N/A ALA 204.A N ILE 200.A O no hydrogen 3.427 N/A ILE 205.A N ASP 201.A O no hydrogen 3.090 N/A GLY 206.A N ILE 202.A O no hydrogen 2.940 N/A CYS 207.A N TRP 203.A O no hydrogen 2.979 N/A CYS 207.A SG TRP 183.A O no hydrogen 3.879 N/A CYS 207.A SG TRP 203.A O no hydrogen 3.455 N/A ILE 208.A N ALA 204.A O no hydrogen 3.055 N/A PHE 209.A N ILE 205.A O no hydrogen 2.860 N/A ALA 210.A N GLY 206.A O no hydrogen 3.001 N/A GLU 211.A N CYS 207.A O no hydrogen 3.011 N/A LEU 212.A N ILE 208.A O no hydrogen 2.872 N/A LEU 213.A N PHE 209.A O no hydrogen 3.187 N/A THR 214.A N ALA 210.A O no hydrogen 3.025 N/A THR 214.A OG1 ALA 210.A O no hydrogen 3.172 N/A SER 215.A N GLU 211.A O no hydrogen 2.642 N/A GLU 216.A N THR 214.A OG1 no hydrogen 3.089 N/A HIS 220.A N PRO 217.A O no hydrogen 3.333 N/A CYS 221.A SG ARG 222.A O no hydrogen 3.905 N/A TYR 227.A N ASN 225.A OD1 no hydrogen 3.039 N/A TYR 227.A OH ASP 262.A OD2 no hydrogen 2.771 N/A HIS 229.A ND1 ASP 230.A OD1 no hydrogen 3.089 N/A GLN 231.A N HIS 228.A ND1.A no hydrogen 3.342 N/A GLN 231.A NE2 PHE 219.A O no hydrogen 2.869 N/A GLN 231.A NE2 GLN 231.A O no hydrogen 3.331 N/A LEU 232.A N HIS 228.A O.A no hydrogen 3.208 N/A LEU 232.A N HIS 228.A O.B no hydrogen 3.186 N/A ASP 233.A N HIS 229.A O no hydrogen 2.907 N/A ARG 234.A N ASP 230.A O no hydrogen 3.037 N/A ARG 234.A NE ILE 218.A O no hydrogen 3.064 N/A ARG 234.A NH2 ILE 218.A O no hydrogen 2.950 N/A ILE 235.A N GLN 231.A O no hydrogen 3.162 N/A PHE 236.A N LEU 232.A O no hydrogen 3.062 N/A ASN 237.A N ASP 233.A O no hydrogen 2.913 N/A VAL 238.A N ARG 234.A O no hydrogen 3.231 N/A MET 239.A N ILE 235.A O no hydrogen 2.724 N/A GLY 240.A N PHE 236.A O no hydrogen 2.765 N/A ALA 243.A N ASP 246.A OD2 no hydrogen 2.863 N/A ASP 246.A N ALA 243.A O no hydrogen 3.040 N/A ILE 250.A N TRP 247.A O no hydrogen 3.228 N/A LYS 252.A N ASP 249.A O no hydrogen 3.066 N/A MET 253.A N ILE 250.A O no hydrogen 2.995 N/A GLU 255.A N LEU 191.A O no hydrogen 3.001 N/A HIS 256.A N MET 253.A O no hydrogen 3.042 N/A THR 258.A OG1 GLU 255.A OE1 no hydrogen 2.855 N/A LEU 259.A N GLU 255.A O no hydrogen 2.996 N/A MET 260.A N HIS 256.A O no hydrogen 3.023 N/A LYS 261.A N SER 257.A O no hydrogen 3.065 N/A ASP 262.A N THR 258.A O no hydrogen 3.008 N/A PHE 263.A N LEU 259.A O no hydrogen 2.779 N/A ARG 265.A NH1 PHE 241.A O no hydrogen 3.162 N/A ARG 265.A NH1 PRO 242.A O no hydrogen 3.304 N/A ARG 265.A NH2 PRO 242.A O no hydrogen 2.980 N/A THR 267.A N ARG 264.A O no hydrogen 3.210 N/A THR 267.A OG1 ARG 264.A O no hydrogen 3.371 N/A TYR 268.A N ARG 265.A O no hydrogen 3.063 N/A TYR 268.A OH ASP 233.A OD1 no hydrogen 2.628 N/A THR 269.A N ASN 266.A O no hydrogen 3.368 N/A CYS 271.A N TYR 268.A O no hydrogen 3.023 N/A CYS 271.A SG ASN 237.A O no hydrogen 3.349 N/A LYS 275.A N SER 272.A OG no hydrogen 3.136 N/A LYS 275.A NZ ASN 270.A O no hydrogen 3.254 N/A TYR 276.A N SER 272.A O no hydrogen 2.961 N/A MET 277.A N LEU 273.A O no hydrogen 2.929 N/A GLU 278.A N ILE 274.A O no hydrogen 3.020 N/A LYS 279.A N LYS 275.A O no hydrogen 3.278 N/A HIS 280.A N MET 277.A O no hydrogen 3.196 N/A HIS 280.A ND1 TYR 276.A O no hydrogen 3.338 N/A HIS 280.A NE2 GLU 216.A OE1 no hydrogen 2.939 N/A LYS 281.A N GLU 278.A O no hydrogen 3.256 N/A VAL 282.A N MET 277.A O no hydrogen 2.998 N/A ASP 285.A N ASP 285.A OD1 no hydrogen 2.634 N/A SER 286.A N LYS 283.A O no hydrogen 3.226 N/A SER 286.A OG LYS 283.A O no hydrogen 2.675 N/A PHE 289.A N SER 286.A OG no hydrogen 3.160 N/A HIS 290.A N SER 286.A O no hydrogen 3.202 N/A LEU 291.A N LYS 287.A O no hydrogen 3.071 N/A LEU 292.A N ALA 288.A O no hydrogen 3.042 N/A GLN 293.A N PHE 289.A O no hydrogen 2.863 N/A LYS 294.A N HIS 290.A O no hydrogen 3.328 N/A LEU 295.A N LEU 291.A O no hydrogen 3.059 N/A LEU 296.A N LEU 292.A O no hydrogen 2.957 N/A THR 297.A OG1 GLN 293.A O no hydrogen 3.219 N/A THR 297.A OG1 LYS 294.A O no hydrogen 3.280 N/A ILE 301.A N ASP 299.A OD1 no hydrogen 3.157 N/A LYS 302.A N ASP 299.A O no hydrogen 2.959 N/A LYS 302.A NZ LYS 245.A O no hydrogen 2.888 N/A ARG 303.A N PRO 300.A O no hydrogen 3.175 N/A ARG 303.A NE THR 297.A O no hydrogen 2.904 N/A ARG 303.A NH1 GLU 188.A OE1 no hydrogen 3.556 N/A ARG 303.A NH1 GLU 188.A OE2 no hydrogen 2.851 N/A ARG 303.A NH1 ALA 199.A O no hydrogen 2.898 N/A ARG 303.A NH2 GLU 188.A OE1 no hydrogen 2.964 N/A ARG 303.A NH2 THR 297.A O no hydrogen 3.106 N/A ARG 303.A NH2 MET 298.A O no hydrogen 2.946 N/A ILE 304.A N LYS 294.A O no hydrogen 3.423 N/A THR 305.A N GLN 308.A OE1 no hydrogen 3.087 N/A SER 306.A OG GLU 307.A OE1 no hydrogen 3.252 N/A GLU 307.A N GLU 307.A OE1 no hydrogen 2.892 N/A GLN 308.A N THR 305.A OG1 no hydrogen 3.221 N/A ALA 309.A N THR 305.A O no hydrogen 2.980 N/A MET 310.A N SER 306.A O no hydrogen 2.991 N/A GLN 311.A N GLU 307.A O no hydrogen 3.222 N/A GLN 311.A N GLN 308.A O no hydrogen 3.089 N/A ASP 312.A N ALA 309.A O no hydrogen 3.075 N/A TYR 314.A N ASP 312.A OD2 no hydrogen 2.950 N/A PHE 315.A N ASP 312.A O no hydrogen 3.138 N/A LEU 316.A N PRO 313.A O no hydrogen 2.944 N/A GLU 317.A N PRO 313.A O no hydrogen 3.133 N/A THR 322.A N SER 124.A OG no hydrogen 2.859 N/A THR 322.A OG1 SER 124.A OG no hydrogen 3.401 N/A THR 322.A OG1 ASP 324.A O no hydrogen 2.653 N/A VAL 325.A N GLY 161.A O no hydrogen 2.879 N/A PHE 326.A N ASP 324.A OD1 no hydrogen 3.020 N/A ALA 327.A N ASP 324.A O no hydrogen 2.896 N/A GLY 328.A N ASP 324.A OD2 no hydrogen 3.138 N/A CYS 329.A N PHE 326.A O no hydrogen 3.102 N/A TYR 333.A OH HIS 111.A NE2 no hydrogen 3.104 N/A ARG 336.A NE ASP 103.A OD1 no hydrogen 3.000 N/A ARG 336.A NH1 TYR 99.A OH no hydrogen 3.550 N/A ARG 336.A NH1 ALA 100.A O no hydrogen 2.638 N/A ARG 336.A NH2 ALA 100.A O no hydrogen 3.078 N/A ARG 336.A NH2 ASP 103.A OD1 no hydrogen 2.784 N/A LEU 339.A N LYS 26.A O no hydrogen 2.754 N/A