Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ayn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A SG GLY 6.A O no hydrogen 3.464 N/A LEU 7.A N ASP 306.A O no hydrogen 2.591 N/A THR 8.A N ILE 64.A O no hydrogen 2.764 N/A ASN 9.A ND2 ASP 306.A OD2 no hydrogen 3.530 N/A LEU 10.A N THR 13.A OG1 no hydrogen 2.661 N/A GLY 11.A N ASN 9.A OD1 no hydrogen 2.666 N/A ASN 12.A N ASN 9.A OD1 no hydrogen 3.001 N/A ASN 12.A ND2 TYR 89.A O no hydrogen 2.884 N/A CYS 14.A SG HIS 289.A ND1 no hydrogen 3.485 N/A MET 16.A N THR 13.A O no hydrogen 2.624 N/A ASN 17.A N THR 13.A O no hydrogen 3.041 N/A ASN 17.A ND2 ASP 306.A OD1 no hydrogen 3.266 N/A ALA 18.A N CYS 14.A O no hydrogen 2.724 N/A THR 19.A N TYR 15.A O no hydrogen 3.120 N/A THR 19.A OG1 TYR 15.A O no hydrogen 2.783 N/A THR 19.A OG1 ALA 94.A O no hydrogen 3.129 N/A VAL 20.A N MET 16.A O no hydrogen 2.600 N/A GLN 21.A N ASN 17.A O no hydrogen 2.850 N/A GLN 21.A NE2 CYS 5.A O no hydrogen 3.408 N/A CYS 22.A N ALA 18.A O no hydrogen 3.226 N/A CYS 22.A SG ALA 18.A O no hydrogen 3.884 N/A ILE 23.A N THR 19.A O no hydrogen 2.959 N/A ARG 24.A N VAL 20.A O no hydrogen 2.905 N/A SER 25.A N CYS 22.A O no hydrogen 2.614 N/A SER 25.A OG CYS 22.A O no hydrogen 2.807 N/A SER 25.A OG GLN 275.A OE1 no hydrogen 3.175 N/A VAL 26.A N ILE 23.A O no hydrogen 3.416 N/A GLU 28.A N GLU 28.A OE2 no hydrogen 2.401 N/A LEU 29.A N VAL 26.A O no hydrogen 2.875 N/A LYS 30.A N VAL 26.A O no hydrogen 3.128 N/A ASP 31.A N PRO 27.A O no hydrogen 3.134 N/A ALA 32.A N GLU 28.A O no hydrogen 3.229 N/A LEU 33.A N LEU 29.A O no hydrogen 2.955 N/A LYS 34.A N LYS 30.A O no hydrogen 3.024 N/A ARG 35.A N ASP 31.A O no hydrogen 3.339 N/A TYR 36.A N LEU 33.A O no hydrogen 2.505 N/A ILE 46.A N SER 42.A O no hydrogen 3.307 N/A THR 47.A N ALA 43.A O no hydrogen 2.958 N/A THR 47.A OG1 ALA 43.A O no hydrogen 3.467 N/A ALA 48.A N GLN 44.A O no hydrogen 2.829 N/A ALA 49.A N TYR 45.A O no hydrogen 2.797 N/A LEU 50.A N ILE 46.A O no hydrogen 2.941 N/A ARG 51.A N THR 47.A O no hydrogen 3.352 N/A ARG 51.A NE ASP 52.A OD1 no hydrogen 2.693 N/A ARG 51.A NH1 TYR 36.A O no hydrogen 3.302 N/A ASP 52.A N ALA 48.A O no hydrogen 3.196 N/A LEU 53.A N ALA 49.A O no hydrogen 2.985 N/A PHE 54.A N LEU 50.A O no hydrogen 2.988 N/A ASP 55.A N ARG 51.A O no hydrogen 2.693 N/A SER 56.A N ASP 52.A O no hydrogen 2.932 N/A SER 56.A OG ASP 52.A O no hydrogen 3.396 N/A MET 57.A N LEU 53.A O no hydrogen 2.874 N/A ASP 58.A N PHE 54.A O no hydrogen 2.792 N/A ASP 58.A N ASP 55.A O no hydrogen 2.712 N/A THR 60.A N SER 56.A O no hydrogen 3.171 N/A THR 60.A OG1 SER 56.A O no hydrogen 3.020 N/A SER 61.A OG SER 61.A O no hydrogen 2.497 N/A SER 62.A OG THR 60.A O no hydrogen 2.908 N/A SER 63.A OG SER 62.A O no hydrogen 2.332 N/A ILE 64.A N GLY 6.A O no hydrogen 2.940 N/A LEU 70.A N PRO 66.A O no hydrogen 2.880 N/A GLN 71.A N ILE 67.A O no hydrogen 2.733 N/A PHE 72.A N ILE 68.A O no hydrogen 3.075 N/A LEU 73.A N LEU 69.A O no hydrogen 2.780 N/A HIS 74.A N LEU 70.A O no hydrogen 2.808 N/A MET 75.A N GLN 71.A O no hydrogen 2.651 N/A ALA 76.A N PHE 72.A O no hydrogen 2.924 N/A PHE 77.A N LEU 73.A O no hydrogen 2.678 N/A PHE 80.A N PHE 77.A O no hydrogen 2.811 N/A ALA 81.A N PRO 78.A O no hydrogen 2.830 N/A GLY 84.A N GLN 88.A O no hydrogen 2.871 N/A LEU 90.A N GLU 82.A O no hydrogen 3.365 N/A GLN 91.A NE2 GLY 288.A O no hydrogen 2.920 N/A GLN 92.A N GLN 91.A OE1 no hydrogen 2.775 N/A ASN 95.A N ASP 93.A OD1 no hydrogen 2.499 N/A GLU 96.A N ASP 93.A OD1 no hydrogen 3.389 N/A CYS 97.A N ASP 93.A O no hydrogen 3.039 N/A TRP 98.A N ALA 94.A O no hydrogen 2.754 N/A ILE 99.A N ASN 95.A O no hydrogen 2.863 N/A GLN 100.A N GLU 96.A O no hydrogen 2.982 N/A MET 101.A N CYS 97.A O no hydrogen 2.963 N/A MET 101.A N TRP 98.A O no hydrogen 3.034 N/A MET 102.A N TRP 98.A O no hydrogen 2.989 N/A ARG 103.A N ILE 99.A O no hydrogen 2.780 N/A VAL 104.A N GLN 100.A O no hydrogen 3.348 N/A LEU 105.A N MET 101.A O no hydrogen 3.039 N/A GLN 106.A N MET 102.A O no hydrogen 2.538 N/A GLN 107.A N ARG 103.A O no hydrogen 3.083 N/A GLN 107.A N VAL 104.A O no hydrogen 2.593 N/A GLN 107.A NE2 ARG 103.A O no hydrogen 3.600 N/A LYS 108.A N LEU 105.A O no hydrogen 3.037 N/A LEU 109.A N LEU 105.A O no hydrogen 2.877 N/A ILE 112.A N GLN 121.A OE1 no hydrogen 3.120 N/A SER 117.A OG GLN 106.A O no hydrogen 2.490 N/A LEU 118.A N LEU 109.A O no hydrogen 3.114 N/A GLN 121.A N LEU 118.A O no hydrogen 2.703 N/A GLN 121.A NE2 GLY 265.A O no hydrogen 3.006 N/A PHE 122.A N LEU 118.A O no hydrogen 3.250 N/A PHE 123.A N ILE 119.A O no hydrogen 2.851 N/A VAL 125.A N GLN 148.A O no hydrogen 2.857 N/A GLU 126.A N ARG 195.A O no hydrogen 3.058 N/A PHE 127.A N GLU 146.A O no hydrogen 2.651 N/A GLU 128.A N LYS 192.A O no hydrogen 2.985 N/A THR 129.A N GLY 144.A O no hydrogen 2.723 N/A THR 129.A OG1 GLY 144.A O no hydrogen 3.089 N/A THR 130.A N SER 190.A O no hydrogen 3.287 N/A THR 130.A OG1 SER 190.A OG no hydrogen 2.932 N/A MET 131.A N THR 142.A O no hydrogen 2.952 N/A LYS 132.A N ILE 188.A O no hydrogen 2.960 N/A CYS 133.A SG GLU 135.A O no hydrogen 3.767 N/A CYS 133.A SG GLU 139.A OE2 no hydrogen 3.769 N/A CYS 133.A SG LEU 186.A O no hydrogen 3.882 N/A THR 134.A N LEU 186.A O no hydrogen 2.632 N/A THR 134.A OG1 LEU 186.A O no hydrogen 2.553 N/A GLU 146.A N PHE 127.A O no hydrogen 2.923 N/A GLN 148.A N VAL 125.A O no hydrogen 3.168 N/A GLN 148.A NE2 GLN 150.A O no hydrogen 3.192 N/A LEU 151.A N THR 201.A O no hydrogen 2.743 N/A CYS 153.A N GLN 203.A O no hydrogen 2.953 N/A CYS 153.A SG PHE 154.A O no hydrogen 3.415 N/A PHE 154.A N GLY 165.A O no hydrogen 3.357 N/A LYS 160.A NZ ASP 222.A O no hydrogen 3.534 N/A LEU 162.A N LYS 224.A O no hydrogen 2.743 N/A GLY 165.A N TYR 161.A O no hydrogen 3.401 N/A LEU 166.A N LEU 162.A O no hydrogen 2.977 N/A LYS 167.A N PHE 163.A O no hydrogen 2.798 N/A LEU 168.A N THR 164.A O no hydrogen 3.080 N/A ARG 169.A N GLY 165.A O no hydrogen 3.392 N/A ARG 169.A N LEU 166.A O no hydrogen 2.819 N/A LEU 170.A N LYS 167.A O no hydrogen 2.517 N/A GLN 171.A NE2 LEU 170.A O no hydrogen 2.541 N/A SER 178.A N ARG 183.A O no hydrogen 3.476 N/A SER 178.A OG GLU 139.A OE1 no hydrogen 3.159 N/A SER 178.A OG GLU 139.A OE2 no hydrogen 2.454 N/A SER 178.A OG TYR 187.A OH no hydrogen 3.301 N/A THR 180.A N SER 178.A OG no hydrogen 3.088 N/A THR 180.A OG1 GLU 137.A OE1 no hydrogen 3.251 N/A THR 180.A OG1 GLU 139.A OE1 no hydrogen 3.328 N/A LEU 181.A N SER 178.A OG no hydrogen 3.329 N/A GLN 182.A N SER 178.A O no hydrogen 2.794 N/A ARG 183.A NH1 ASN 184.A O no hydrogen 3.436 N/A ALA 185.A N LYS 176.A O no hydrogen 3.191 N/A TYR 187.A N ILE 174.A O no hydrogen 2.608 N/A ILE 188.A N LYS 132.A O no hydrogen 2.902 N/A LYS 189.A N GLU 172.A O no hydrogen 3.038 N/A LYS 189.A NZ GLU 146.A OE1 no hydrogen 2.258 N/A SER 190.A N THR 130.A O no hydrogen 3.136 N/A SER 190.A OG THR 130.A O no hydrogen 3.414 N/A SER 191.A N LEU 170.A O no hydrogen 3.074 N/A LYS 192.A N GLU 128.A O no hydrogen 3.185 N/A ILE 193.A N LEU 234.A O no hydrogen 2.978 N/A SER 194.A OG GLU 126.A OE2 no hydrogen 3.442 N/A SER 194.A OG GLU 128.A OE2 no hydrogen 3.476 N/A ARG 195.A N GLU 126.A O no hydrogen 3.238 N/A ARG 195.A NH1 GLN 121.A O no hydrogen 3.271 N/A ARG 195.A NH1 LEU 196.A O no hydrogen 3.121 N/A ARG 195.A NH2 GLN 121.A O no hydrogen 3.382 N/A TYR 199.A N PHE 122.A O no hydrogen 2.855 N/A TYR 199.A OH GLU 28.A OE2 no hydrogen 2.617 N/A LEU 200.A N TYR 334.A O no hydrogen 2.786 N/A THR 201.A OG1 LEU 149.A O no hydrogen 3.167 N/A ILE 202.A N LEU 332.A O no hydrogen 2.763 N/A GLN 203.A N LEU 151.A O no hydrogen 2.805 N/A MET 204.A N TYR 330.A O no hydrogen 3.044 N/A VAL 205.A N CYS 153.A O no hydrogen 3.078 N/A ARG 206.A NE VAL 219.A O no hydrogen 2.712 N/A ARG 206.A NH1 SER 321.A O no hydrogen 3.505 N/A ARG 206.A NH2 VAL 219.A O no hydrogen 3.505 N/A ARG 206.A NH2 LYS 221.A O no hydrogen 2.505 N/A TYR 209.A OH GLU 211.A OE2 no hydrogen 2.577 N/A LYS 210.A N VAL 215.A O no hydrogen 3.469 N/A LYS 210.A NZ GLU 213.A OE1 no hydrogen 3.470 N/A LYS 218.A NZ HIS 280.A ND1 no hydrogen 3.203 N/A LYS 218.A NZ HIS 280.A O no hydrogen 2.950 N/A VAL 219.A N ARG 206.A O no hydrogen 2.712 N/A VAL 223.A N SER 321.A O no hydrogen 2.574 N/A LYS 224.A N LYS 160.A O no hydrogen 2.852 N/A LYS 224.A NZ ASP 222.A OD1 no hydrogen 2.666 N/A LYS 224.A NZ ASP 222.A OD2 no hydrogen 2.833 N/A LEU 229.A N TYR 272.A O no hydrogen 3.053 N/A TYR 232.A N ASP 230.A OD2 no hydrogen 3.096 N/A LEU 234.A N MET 231.A O no hydrogen 3.288 N/A LEU 234.A N TYR 232.A O no hydrogen 2.460 N/A CYS 235.A N TYR 232.A O no hydrogen 2.902 N/A CYS 235.A SG MET 231.A O no hydrogen 2.972 N/A CYS 235.A SG TYR 232.A O no hydrogen 3.625 N/A THR 236.A N ILE 193.A O no hydrogen 3.448 N/A THR 236.A OG1 ILE 193.A O no hydrogen 3.470 N/A LEU 239.A N THR 236.A O no hydrogen 2.731 N/A GLN 240.A N THR 236.A O no hydrogen 2.892 N/A GLN 240.A NE2 TYR 232.A O no hydrogen 3.474 N/A GLU 241.A N PRO 237.A O no hydrogen 2.977 N/A MET 243.A N LEU 239.A O no hydrogen 2.779 N/A VAL 244.A N GLU 241.A O no hydrogen 3.122 N/A SER 245.A OG LYS 242.A O no hydrogen 3.365 N/A ARG 247.A NH2 ASP 230.A OD2 no hydrogen 2.629 N/A LYS 251.A N SER 248.A O no hydrogen 3.018 N/A ASN 267.A ND2 ASP 262.A O no hydrogen 3.552 N/A ASN 268.A ND2 TYR 271.A O no hydrogen 3.482 N/A CYS 269.A SG PHE 260.A O no hydrogen 3.536 N/A TYR 272.A N LEU 229.A O no hydrogen 3.061 N/A TYR 272.A OH PRO 197.A O no hydrogen 2.409 N/A ASP 273.A N GLY 335.A O no hydrogen 2.396 N/A LEU 274.A N LEU 227.A O no hydrogen 3.013 N/A GLN 275.A N LEU 333.A O no hydrogen 2.689 N/A VAL 277.A N TRP 293.A O no hydrogen 2.995 N/A LEU 278.A N VAL 331.A O no hydrogen 2.914 N/A THR 279.A N VAL 291.A O no hydrogen 2.863 N/A THR 279.A OG1 ILE 328.A O no hydrogen 3.495 N/A HIS 280.A NE2 SER 287.A O no hydrogen 2.707 N/A GLN 281.A N HIS 289.A O no hydrogen 2.865 N/A SER 284.A OG SER 286.A OG no hydrogen 2.853 N/A SER 286.A N SER 284.A OG no hydrogen 3.179 N/A SER 286.A OG SER 284.A OG no hydrogen 2.853 N/A HIS 289.A N GLN 281.A O no hydrogen 3.145 N/A HIS 289.A NE2 ASP 305.A OD1 no hydrogen 2.758 N/A TYR 290.A OH GLN 92.A O no hydrogen 2.861 N/A TYR 290.A OH SER 285.A O no hydrogen 2.718 N/A VAL 291.A N THR 279.A O no hydrogen 2.636 N/A VAL 294.A N ILE 302.A O no hydrogen 2.783 N/A LYS 295.A N GLN 275.A O no hydrogen 3.126 N/A ARG 296.A N GLU 300.A O no hydrogen 3.128 N/A LYS 297.A N GLU 300.A O no hydrogen 3.445 N/A GLU 300.A N LYS 297.A O no hydrogen 2.567 N/A TRP 301.A N VAL 312.A O no hydrogen 2.816 N/A ILE 302.A N VAL 294.A O no hydrogen 2.474 N/A ASP 306.A N PHE 304.A O no hydrogen 2.485 N/A LYS 308.A N ASP 305.A O no hydrogen 3.276 N/A SER 310.A OG ILE 311.A O no hydrogen 3.412 N/A ILE 311.A N SER 310.A OG no hydrogen 2.460 N/A VAL 312.A N TRP 301.A O no hydrogen 2.569 N/A THR 313.A N ASP 316.A OD2 no hydrogen 2.896 N/A THR 313.A OG1 GLU 315.A OE2 no hydrogen 2.941 N/A THR 313.A OG1 ASP 316.A OD2 no hydrogen 2.604 N/A ASP 316.A N THR 313.A O no hydrogen 2.639 N/A LEU 318.A N PRO 314.A O no hydrogen 2.859 N/A ARG 319.A N ASP 316.A O no hydrogen 2.475 N/A LEU 320.A N ILE 317.A O no hydrogen 2.453 N/A SER 321.A OG LEU 318.A O no hydrogen 2.886 N/A GLY 323.A N LEU 220.A O no hydrogen 3.058 N/A ALA 329.A N LEU 320.A O no hydrogen 3.041 N/A TYR 330.A N LEU 278.A O no hydrogen 2.904 N/A TYR 330.A OH ASP 93.A OD1 no hydrogen 3.252 N/A TYR 330.A OH ASP 93.A OD2 no hydrogen 3.243 N/A VAL 331.A N LEU 278.A O no hydrogen 3.029 N/A LEU 332.A N ILE 202.A O no hydrogen 2.800 N/A LEU 333.A N ALA 276.A O no hydrogen 3.194 N/A TYR 334.A N LEU 200.A O no hydrogen 2.990 N/A TYR 334.A OH PRO 226.A O no hydrogen 2.518 N/A GLY 335.A N ASP 273.A O no hydrogen 3.220 N/A ARG 337.A NH2 PHE 250.A O no hydrogen 3.376 N/A