Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dzy_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N GLY 8.A O no hydrogen 3.204 N/A CYS 4.A SG HIS 19.A O no hydrogen 4.011 N/A ARG 5.A N HIS 19.A O no hydrogen 3.034 N/A CYS 7.A SG ASP 9.A OD1 no hydrogen 2.756 N/A SER 12.A N ALA 20.A O no hydrogen 2.987 N/A SER 12.A OG HIS 15.A NE2 no hydrogen 2.797 N/A SER 12.A OG ALA 20.A O no hydrogen 3.542 N/A SER 12.A OG GLU 22.A OE1 no hydrogen 2.958 N/A HIS 15.A N VAL 18.A O no hydrogen 3.002 N/A HIS 15.A NE2 SER 12.A OG no hydrogen 2.797 N/A ALA 20.A N GLY 13.A O no hydrogen 3.287 N/A LYS 25.A N CYS 21.A O no hydrogen 2.758 N/A LYS 25.A NZ GLU 22.A OE2 no hydrogen 3.229 N/A GLY 26.A N GLU 22.A O no hydrogen 3.249 N/A PHE 28.A N CYS 24.A O no hydrogen 3.274 N/A ARG 29.A N LYS 25.A O no hydrogen 3.207 N/A ARG 30.A N GLY 26.A O no hydrogen 3.274 N/A THR 31.A N PHE 27.A O no hydrogen 3.006 N/A THR 31.A OG1 PHE 27.A O no hydrogen 3.290 N/A THR 31.A OG1 TYR 38.A OH no hydrogen 3.142 N/A ILE 32.A N PHE 28.A O no hydrogen 3.209 N/A ARG 33.A N ARG 29.A O no hydrogen 2.813 N/A TYR 38.A OH THR 31.A OG1 no hydrogen 3.142 N/A CYS 45.A SG LEU 43.A O no hydrogen 4.009 N/A SER 51.A OG ARG 46.A O no hydrogen 3.313 N/A ARG 52.A N HIS 48.A O no hydrogen 2.743 N/A ARG 52.A NH2 ASP 9.A OD1 no hydrogen 2.833 N/A LYS 54.A N SER 51.A O no hydrogen 2.897 N/A CYS 58.A SG LEU 43.A O no hydrogen 3.280 N/A ARG 59.A N CYS 55.A O no hydrogen 2.929 N/A PHE 60.A N GLN 56.A O no hydrogen 2.961 N/A GLN 61.A N TYR 57.A O no hydrogen 2.839 N/A LYS 62.A N CYS 58.A O no hydrogen 3.288 N/A LYS 62.A NZ VAL 6.A O no hydrogen 3.543 N/A CYS 63.A N ARG 59.A O no hydrogen 3.103 N/A CYS 63.A SG ARG 59.A O no hydrogen 3.864 N/A CYS 63.A SG PHE 60.A O no hydrogen 3.158 N/A LEU 64.A N GLN 61.A O no hydrogen 3.019 N/A ALA 65.A N GLN 61.A O no hydrogen 3.291 N/A ALA 65.A N LYS 62.A O no hydrogen 2.728 N/A VAL 66.A N LYS 62.A O no hydrogen 3.065 N/A GLY 67.A N LEU 64.A O no hydrogen 3.345 N/A SER 69.A N TYR 16.A O no hydrogen 3.311 N/A ASN 71.A N SER 69.A OG no hydrogen 3.018 N/A ALA 72.A N SER 69.A O no hydrogen 3.255 N/A ALA 81.A N MET 78.A O no hydrogen 3.407 N/A LYS 83.A N GLN 80.A O no hydrogen 3.050 N/A GLU 89.A N LEU 86.A O no hydrogen 3.362 N/A SER 92.A N GLU 89.A O no hydrogen 3.009 N/A GLN 96.A N SER 92.A O no hydrogen 2.491 N/A LEU 97.A N SER 92.A O no hydrogen 3.247 N/A ASN 98.A N GLN 96.A O no hydrogen 2.490 N/A SER 101.A OG GLN 96.A O no hydrogen 3.546 N/A ALA 102.A N PRO 99.A O no hydrogen 3.334 N/A ARG 105.A N SER 101.A O no hydrogen 3.416 N/A ALA 106.A N ALA 102.A O no hydrogen 3.216 N/A LEU 107.A N ASP 103.A O no hydrogen 2.741 N/A ALA 108.A N LEU 104.A O no hydrogen 2.953 N/A LYS 109.A N ARG 105.A O no hydrogen 3.098 N/A HIS 110.A N ALA 106.A O no hydrogen 3.189 N/A HIS 110.A NE2 SER 179.A O no hydrogen 3.066 N/A LEU 111.A N LEU 107.A O no hydrogen 3.011 N/A TYR 112.A N ALA 108.A O no hydrogen 2.770 N/A ASP 113.A N LYS 109.A O no hydrogen 2.949 N/A SER 114.A N HIS 110.A O no hydrogen 2.917 N/A SER 114.A OG SER 179.A OG no hydrogen 2.485 N/A TYR 115.A N LEU 111.A O no hydrogen 2.750 N/A TYR 115.A OH ASP 258.A OD1 no hydrogen 2.712 N/A ILE 116.A N TYR 112.A O no hydrogen 3.161 N/A LYS 117.A N ASP 113.A O no hydrogen 3.306 N/A LYS 117.A NZ ASP 113.A O no hydrogen 3.450 N/A SER 118.A N TYR 115.A O no hydrogen 3.086 N/A SER 118.A OG SER 114.A O no hydrogen 2.631 N/A PHE 119.A N TYR 115.A O no hydrogen 3.145 N/A LYS 123.A N ASP 258.A OD1 no hydrogen 2.739 N/A LYS 123.A NZ ASN 252.A OD1 no hydrogen 3.516 N/A LYS 123.A NZ LEU 256.A O no hydrogen 3.490 N/A ALA 124.A N ASP 258.A OD2 no hydrogen 2.981 N/A ALA 126.A N THR 122.A O no hydrogen 3.005 N/A ARG 127.A N LYS 123.A O no hydrogen 2.944 N/A ARG 127.A N ALA 124.A O no hydrogen 3.019 N/A ALA 128.A N ALA 124.A O no hydrogen 3.320 N/A ALA 128.A N LYS 125.A O no hydrogen 2.865 N/A ILE 129.A N LYS 125.A O no hydrogen 3.049 N/A LEU 130.A N ALA 126.A O no hydrogen 3.029 N/A THR 131.A N ARG 127.A O no hydrogen 2.749 N/A THR 131.A OG1 ARG 127.A O no hydrogen 2.721 N/A THR 131.A OG1 ALA 128.A O no hydrogen 3.418 N/A THR 134.A N GLY 132.A O no hydrogen 2.740 N/A THR 135.A OG1 THR 135.A O no hydrogen 2.477 N/A PHE 140.A N GLN 222.A O no hydrogen 2.870 N/A ILE 142.A N PHE 224.A O no hydrogen 2.787 N/A ASP 144.A N SER 147.A OG no hydrogen 3.037 N/A ASN 146.A ND2 ASP 144.A OD1 no hydrogen 3.213 N/A SER 147.A N ASP 144.A OD2 no hydrogen 3.216 N/A SER 147.A OG ASP 144.A O no hydrogen 2.715 N/A SER 147.A OG ASP 144.A OD2 no hydrogen 2.909 N/A LEU 148.A N ASP 144.A O no hydrogen 2.743 N/A MET 149.A N MET 145.A O no hydrogen 2.565 N/A MET 150.A N SER 147.A O no hydrogen 3.048 N/A ARG 157.A N GLU 153.A O no hydrogen 2.901 N/A ILE 158.A N VAL 154.A O no hydrogen 3.002 N/A PHE 159.A N ALA 155.A O no hydrogen 2.964 N/A GLN 160.A N ILE 156.A O no hydrogen 2.952 N/A GLY 161.A N ILE 158.A O no hydrogen 2.768 N/A CYS 162.A N ILE 158.A O no hydrogen 3.230 N/A CYS 162.A N PHE 159.A O no hydrogen 2.994 N/A CYS 162.A SG ILE 158.A O no hydrogen 3.839 N/A GLN 163.A N PHE 159.A O no hydrogen 3.378 N/A PHE 164.A N GLN 160.A O no hydrogen 3.400 N/A SER 166.A N CYS 162.A O no hydrogen 3.054 N/A VAL 167.A N GLN 163.A O no hydrogen 3.451 N/A GLU 168.A N PHE 164.A O no hydrogen 3.491 N/A ALA 169.A N ARG 165.A O no hydrogen 2.995 N/A VAL 170.A N SER 166.A O no hydrogen 2.592 N/A GLN 171.A N VAL 167.A O no hydrogen 3.212 N/A GLU 172.A N GLU 168.A O no hydrogen 3.294 N/A ILE 173.A N ALA 169.A O no hydrogen 2.703 N/A THR 174.A N VAL 170.A O no hydrogen 2.988 N/A THR 174.A OG1 VAL 170.A O no hydrogen 3.001 N/A TYR 176.A N GLU 172.A O no hydrogen 3.106 N/A TYR 176.A OH ALA 262.A O no hydrogen 2.338 N/A ALA 177.A N ILE 173.A O no hydrogen 2.790 N/A LYS 178.A N THR 174.A O no hydrogen 3.122 N/A LYS 178.A NZ GLU 175.A OE1 no hydrogen 3.418 N/A SER 179.A OG SER 114.A OG no hydrogen 2.485 N/A SER 179.A OG GLU 175.A O no hydrogen 3.550 N/A SER 179.A OG TYR 176.A O no hydrogen 2.419 N/A ILE 180.A N ALA 177.A O no hydrogen 2.974 N/A PHE 183.A N ILE 180.A O no hydrogen 2.803 N/A ASP 190.A N ASP 187.A O no hydrogen 2.587 N/A GLN 191.A N ASP 187.A O no hydrogen 3.080 N/A VAL 192.A N LEU 188.A O no hydrogen 3.156 N/A THR 193.A N ASN 189.A O no hydrogen 3.186 N/A THR 193.A OG1 ASN 189.A O no hydrogen 2.907 N/A LEU 194.A N ASP 190.A O no hydrogen 2.670 N/A LEU 195.A N VAL 192.A O no hydrogen 3.057 N/A LYS 196.A N VAL 192.A O no hydrogen 2.974 N/A LYS 196.A NZ GLU 348.A OE2 no hydrogen 2.935 N/A TYR 197.A N THR 193.A O no hydrogen 3.314 N/A VAL 199.A N LEU 195.A O no hydrogen 3.224 N/A ILE 202.A N GLY 198.A O no hydrogen 3.025 N/A ILE 203.A N VAL 199.A O no hydrogen 2.745 N/A TYR 204.A N HIS 200.A O no hydrogen 3.305 N/A THR 205.A N GLU 201.A O no hydrogen 3.368 N/A THR 205.A OG1 GLU 201.A O no hydrogen 2.786 N/A MET 206.A N ILE 202.A O no hydrogen 3.071 N/A LEU 207.A N ILE 203.A O no hydrogen 2.596 N/A ALA 208.A N TYR 204.A O no hydrogen 2.999 N/A ALA 208.A N THR 205.A O no hydrogen 3.208 N/A SER 209.A N MET 206.A O no hydrogen 2.619 N/A ASN 212.A N GLY 215.A O no hydrogen 3.481 N/A GLY 215.A N ASN 212.A OD1 no hydrogen 2.896 N/A VAL 216.A N MET 225.A O no hydrogen 3.117 N/A LEU 217.A N LEU 210.A O no hydrogen 3.077 N/A ILE 218.A N GLY 223.A O no hydrogen 2.665 N/A GLY 221.A N ILE 218.A O no hydrogen 2.687 N/A GLY 223.A N ILE 218.A O no hydrogen 3.417 N/A PHE 224.A N PHE 140.A O no hydrogen 3.351 N/A MET 225.A N VAL 216.A O no hydrogen 2.923 N/A ARG 227.A N ASP 214.A O no hydrogen 2.570 N/A ARG 227.A NE GLU 242.A OE1 no hydrogen 3.281 N/A ARG 227.A NE GLU 242.A OE2 no hydrogen 3.317 N/A ARG 227.A NH1 LYS 213.A O no hydrogen 3.182 N/A ARG 227.A NH2 GLU 242.A OE1 no hydrogen 2.859 N/A PHE 229.A N THR 226.A OG1 no hydrogen 3.030 N/A LEU 230.A N THR 226.A O no hydrogen 3.249 N/A LYS 231.A N ARG 227.A O no hydrogen 2.835 N/A LYS 231.A NZ GLU 228.A OE2 no hydrogen 3.478 N/A SER 232.A N PHE 229.A O no hydrogen 2.876 N/A SER 232.A OG GLU 228.A O no hydrogen 3.268 N/A SER 232.A OG PHE 229.A O no hydrogen 2.666 N/A SER 232.A OG SER 232.A O no hydrogen 2.558 N/A PHE 237.A N ARG 234.A O no hydrogen 2.730 N/A GLU 242.A N ASP 239.A O no hydrogen 2.970 N/A LYS 244.A NZ PHE 240.A O no hydrogen 3.331 N/A PHE 245.A N MET 241.A O no hydrogen 3.020 N/A GLU 246.A N GLU 242.A O no hydrogen 2.731 N/A PHE 247.A N PRO 243.A O no hydrogen 2.907 N/A ALA 248.A N LYS 244.A O no hydrogen 2.964 N/A VAL 249.A N PHE 245.A O no hydrogen 2.918 N/A LYS 250.A N GLU 246.A O no hydrogen 3.212 N/A PHE 251.A N PHE 247.A O no hydrogen 2.742 N/A ASN 252.A N ALA 248.A O no hydrogen 2.977 N/A ASN 252.A ND2 ALA 208.A O no hydrogen 3.266 N/A ASN 252.A ND2 MET 211.A O no hydrogen 2.971 N/A ALA 253.A N LYS 250.A O no hydrogen 3.018 N/A LEU 254.A N PHE 251.A O no hydrogen 3.355 N/A GLU 255.A N ASN 252.A O no hydrogen 2.849 N/A ASP 257.A N ASP 260.A OD2 no hydrogen 3.455 N/A ASP 260.A N ASP 257.A OD2 no hydrogen 2.724 N/A LEU 261.A N ASP 257.A O no hydrogen 2.869 N/A ALA 262.A N ASP 258.A O no hydrogen 2.667 N/A ILE 263.A N ASP 260.A O no hydrogen 3.331 N/A PHE 264.A N ASP 260.A O no hydrogen 3.184 N/A ILE 265.A N LEU 261.A O no hydrogen 3.040 N/A VAL 267.A N ILE 263.A O no hydrogen 3.050 N/A ILE 268.A N PHE 264.A O no hydrogen 3.192 N/A ILE 268.A N ILE 265.A O no hydrogen 3.066 N/A ILE 269.A N ILE 265.A O no hydrogen 3.294 N/A LEU 270.A N ALA 266.A O no hydrogen 3.165 N/A SER 271.A OG VAL 267.A O no hydrogen 3.383 N/A SER 271.A OG ILE 268.A O no hydrogen 2.976 N/A ASP 273.A N ASP 273.A OD1 no hydrogen 2.623 N/A ARG 274.A NH1 GLU 201.A OE1 no hydrogen 3.532 N/A ARG 274.A NH1 GLU 201.A OE2 no hydrogen 3.279 N/A ARG 274.A NH2 GLU 201.A OE1 no hydrogen 2.818 N/A ARG 274.A NH2 ILE 268.A O no hydrogen 3.127 N/A LEU 278.A N ASP 190.A OD1 no hydrogen 2.939 N/A LEU 278.A N ASP 190.A OD2 no hydrogen 3.388 N/A GLU 284.A N VAL 280.A O no hydrogen 2.949 N/A ASP 285.A N LYS 281.A O no hydrogen 2.980 N/A ILE 286.A N PRO 282.A O no hydrogen 3.277 N/A GLN 287.A N ILE 283.A O no hydrogen 3.165 N/A ASP 288.A N GLU 284.A O no hydrogen 2.884 N/A ASN 289.A N ASP 285.A O no hydrogen 3.380 N/A LEU 290.A N ILE 286.A O no hydrogen 2.925 N/A LEU 291.A N GLN 287.A O no hydrogen 2.685 N/A GLN 292.A N ASP 288.A O no hydrogen 3.024 N/A ALA 293.A N LEU 290.A O no hydrogen 2.984 N/A LEU 294.A N LEU 290.A O no hydrogen 2.873 N/A GLU 295.A N LEU 291.A O no hydrogen 2.925 N/A GLN 297.A N ALA 293.A O no hydrogen 3.127 N/A LEU 298.A N LEU 294.A O no hydrogen 3.053 N/A LYS 299.A N GLU 295.A O no hydrogen 3.387 N/A LEU 300.A N LEU 296.A O no hydrogen 3.178 N/A ASN 301.A N LEU 298.A O no hydrogen 3.319 N/A ASN 301.A ND2 HIS 302.A NE2 no hydrogen 3.546 N/A HIS 302.A N LEU 298.A O no hydrogen 2.757 N/A HIS 302.A NE2 ASP 260.A OD2 no hydrogen 2.934 N/A SER 305.A N HIS 302.A O no hydrogen 2.904 N/A SER 305.A OG HIS 302.A O no hydrogen 2.884 N/A LEU 308.A N SER 305.A O no hydrogen 3.452 N/A LYS 311.A N GLN 307.A O no hydrogen 2.807 N/A LEU 312.A N LEU 308.A O no hydrogen 2.658 N/A LEU 313.A N PHE 309.A O no hydrogen 3.173 N/A GLN 314.A N LYS 311.A O no hydrogen 3.053 N/A GLN 314.A NE2 ASP 318.A OD2 no hydrogen 3.195 N/A LYS 315.A N LYS 311.A O no hydrogen 3.323 N/A LYS 315.A N LEU 312.A O no hydrogen 3.135 N/A THR 317.A N GLN 314.A O no hydrogen 2.859 N/A THR 317.A OG1 GLN 314.A O no hydrogen 3.329 N/A ASP 318.A N LYS 315.A O no hydrogen 2.971 N/A LEU 319.A N LYS 315.A O no hydrogen 2.996 N/A ARG 320.A NH2 ASP 273.A OD2 no hydrogen 2.413 N/A GLN 321.A N THR 317.A O no hydrogen 3.073 N/A ILE 322.A N ASP 318.A O no hydrogen 2.861 N/A VAL 323.A N LEU 319.A O no hydrogen 2.987 N/A THR 324.A N ARG 320.A O no hydrogen 2.955 N/A GLU 325.A N GLN 321.A O no hydrogen 3.439 N/A HIS 326.A N ILE 322.A O no hydrogen 2.751 N/A HIS 326.A ND1 TYR 204.A OH no hydrogen 2.698 N/A VAL 327.A N VAL 323.A O no hydrogen 2.996 N/A GLN 328.A N THR 324.A O no hydrogen 3.207 N/A LEU 329.A N GLU 325.A O no hydrogen 3.461 N/A LEU 330.A N HIS 326.A O no hydrogen 2.891 N/A GLN 331.A N VAL 327.A O no hydrogen 2.881 N/A GLN 331.A N GLN 328.A O no hydrogen 2.925 N/A VAL 332.A N GLN 328.A O no hydrogen 2.881 N/A ILE 333.A N LEU 329.A O no hydrogen 2.932 N/A LYS 334.A N GLN 331.A O no hydrogen 2.989 N/A LYS 335.A N VAL 332.A O no hydrogen 2.689 N/A GLU 337.A N LYS 335.A O no hydrogen 2.546 N/A LEU 345.A N HIS 343.A ND1 no hydrogen 2.665 N/A GLN 347.A N HIS 343.A O no hydrogen 3.076 N/A GLU 348.A N PRO 344.A O no hydrogen 3.417 N/A TYR 350.A N LEU 346.A O no hydrogen 2.823 N/A LYS 351.A N GLN 347.A O no hydrogen 2.955 N/A LYS 351.A N GLU 348.A O no hydrogen 3.178 N/A