Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a5l_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PRO 90.A O no hydrogen 2.866 N/A VAL 4.A N GLY 15.A O no hydrogen 2.993 N/A ILE 5.A N LEU 92.A O no hydrogen 2.784 N/A ASP 6.A N LYS 13.A O no hydrogen 2.758 N/A ASN 7.A ND2 THR 94.A O no hydrogen 3.173 N/A CYS 12.A N PHE 26.A O no hydrogen 2.672 N/A CYS 12.A SG ASP 6.A O no hydrogen 3.974 N/A LYS 13.A N ASP 6.A O no hydrogen 2.978 N/A LYS 13.A NZ MET 11.A O no hydrogen 2.689 N/A ALA 14.A N ALA 24.A O no hydrogen 2.851 N/A ALA 17.A N ALA 2.A O no hydrogen 2.977 N/A GLY 18.A N SER 332.A OG no hydrogen 2.882 N/A ASP 19.A N PHE 16.A O no hydrogen 2.951 N/A ARG 23.A NE ASP 19.A OD2 no hydrogen 3.222 N/A ARG 23.A NH2 ASP 19.A OD2 no hydrogen 3.082 N/A ALA 24.A N ALA 14.A O no hydrogen 3.007 N/A PHE 26.A N CYS 12.A O no hydrogen 3.005 N/A SER 28.A N GLY 10.A O no hydrogen 2.707 N/A SER 28.A OG GLY 8.A O no hydrogen 2.773 N/A SER 28.A OG GLY 10.A O no hydrogen 3.397 N/A ILE 29.A N PRO 27.A O no hydrogen 2.890 N/A VAL 30.A N LYS 57.A O no hydrogen 2.829 N/A GLY 31.A N TYR 42.A O no hydrogen 2.666 N/A ARG 32.A N THR 55.A O no hydrogen 2.703 N/A ARG 32.A NE ASP 69.A OD1 no hydrogen 3.144 N/A ARG 32.A NH2 ASP 69.A OD1 no hydrogen 2.868 N/A SER 41.A N ASP 40.A OD1 no hydrogen 3.183 N/A TYR 42.A N GLY 31.A O no hydrogen 2.870 N/A GLY 44.A N ILE 29.A O no hydrogen 3.130 N/A GLN 48.A N GLY 44.A O no hydrogen 3.259 N/A SER 49.A N ASP 45.A O no hydrogen 2.808 N/A SER 49.A OG ASP 45.A O no hydrogen 2.975 N/A LYS 50.A N GLU 46.A O no hydrogen 3.133 N/A LYS 50.A NZ GLU 46.A OE2 no hydrogen 2.517 N/A ARG 51.A N GLN 48.A O no hydrogen 3.072 N/A ARG 51.A NE GLN 48.A O no hydrogen 2.775 N/A ARG 51.A NH1 THR 191.A O no hydrogen 3.139 N/A ARG 51.A NH2 GLN 48.A O no hydrogen 3.339 N/A ILE 53.A N LYS 50.A O no hydrogen 3.215 N/A LEU 54.A N ARG 51.A O no hydrogen 3.173 N/A THR 55.A N ARG 32.A O no hydrogen 2.506 N/A LYS 57.A N VAL 30.A O no hydrogen 2.557 N/A THR 65.A N PRO 59.A O no hydrogen 2.794 N/A THR 65.A OG1 PRO 59.A O no hydrogen 3.509 N/A ASP 69.A N ASN 66.A OD1 no hydrogen 2.787 N/A MET 70.A N ASN 66.A O no hydrogen 3.004 N/A GLU 71.A N TRP 67.A O no hydrogen 2.990 N/A LYS 72.A N ASP 68.A O no hydrogen 3.116 N/A ILE 73.A N ASP 69.A O no hydrogen 2.985 N/A TRP 74.A N MET 70.A O no hydrogen 2.885 N/A TRP 74.A NE1 ASN 7.A OD1 no hydrogen 2.731 N/A HIS 75.A N GLU 71.A O no hydrogen 2.925 N/A HIS 76.A N LYS 72.A O no hydrogen 2.885 N/A HIS 76.A NE2 GLU 81.A OE2 no hydrogen 2.506 N/A THR 77.A N ILE 73.A O no hydrogen 2.816 N/A THR 77.A OG1 ILE 73.A O no hydrogen 2.759 N/A PHE 78.A N TRP 74.A O no hydrogen 2.789 N/A TYR 79.A N HIS 75.A O no hydrogen 2.878 N/A ASN 80.A N HIS 76.A O no hydrogen 3.015 N/A GLU 81.A N HIS 76.A O no hydrogen 2.870 N/A LEU 82.A N THR 77.A O no hydrogen 2.842 N/A VAL 84.A N PHE 78.A O no hydrogen 2.893 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 3.008 N/A GLU 88.A N ALA 85.A O no hydrogen 2.845 N/A HIS 89.A N PRO 86.A O no hydrogen 3.279 N/A HIS 89.A ND1 GLN 1.A O no hydrogen 2.822 N/A VAL 91.A N ALA 119.A O no hydrogen 2.975 N/A LEU 92.A N LEU 3.A O no hydrogen 2.788 N/A LEU 93.A N TYR 121.A O no hydrogen 2.974 N/A THR 94.A N ILE 5.A O no hydrogen 3.162 N/A THR 94.A OG1 ASP 6.A OD2 no hydrogen 2.933 N/A GLU 95.A N ALA 123.A O no hydrogen 2.827 N/A ASN 99.A ND2 GLU 95.A OE1 no hydrogen 2.895 N/A ASN 103.A ND2 VAL 64.A O no hydrogen 3.399 N/A ARG 104.A N PRO 100.A O no hydrogen 3.244 N/A ARG 104.A NE GLU 95.A OE1 no hydrogen 2.972 N/A ARG 104.A NE GLU 95.A OE2 no hydrogen 3.272 N/A ARG 104.A NH1 VAL 358.A O no hydrogen 3.341 N/A ARG 104.A NH1 CYS 362.A O no hydrogen 2.962 N/A ARG 104.A NH2 GLU 95.A OE2 no hydrogen 3.090 N/A ARG 104.A NH2 CYS 362.A O no hydrogen 2.648 N/A GLU 105.A N LYS 101.A O no hydrogen 3.388 N/A LYS 106.A N ALA 102.A O no hydrogen 3.001 N/A MET 107.A N ASN 103.A O no hydrogen 2.984 N/A THR 108.A N ARG 104.A O no hydrogen 3.264 N/A THR 108.A OG1 ARG 104.A O no hydrogen 2.628 N/A GLN 109.A N GLU 105.A O no hydrogen 2.855 N/A GLN 109.A NE2 GLU 113.A OE1 no hydrogen 3.281 N/A ILE 110.A N LYS 106.A O no hydrogen 2.886 N/A MET 111.A N MET 107.A O no hydrogen 3.057 N/A PHE 112.A N THR 108.A O no hydrogen 3.158 N/A GLU 113.A N GLN 109.A O no hydrogen 2.727 N/A THR 114.A N ILE 110.A O no hydrogen 2.907 N/A PHE 115.A N ILE 110.A O no hydrogen 3.200 N/A THR 117.A N MET 111.A O no hydrogen 3.049 N/A MET 120.A N ILE 345.A O no hydrogen 2.971 N/A TYR 121.A N VAL 91.A O no hydrogen 3.142 N/A ALA 123.A N LEU 93.A O no hydrogen 2.929 N/A GLN 125.A N GLU 95.A O no hydrogen 3.095 N/A GLN 125.A NE2 THR 94.A OG1 no hydrogen 3.275 N/A LEU 128.A N ILE 124.A O no hydrogen 3.096 N/A SER 129.A N GLN 125.A O no hydrogen 3.003 N/A SER 129.A OG SER 288.A OG no hydrogen 2.764 N/A LEU 130.A N ALA 126.A O no hydrogen 3.089 N/A TYR 131.A N VAL 127.A O no hydrogen 3.034 N/A ALA 132.A N LEU 128.A O no hydrogen 3.092 N/A SER 133.A N SER 129.A O no hydrogen 3.025 N/A SER 133.A N LEU 130.A O no hydrogen 3.067 N/A SER 133.A OG LEU 130.A O no hydrogen 3.007 N/A GLY 134.A N TYR 131.A O no hydrogen 2.785 N/A ARG 135.A N LEU 130.A O no hydrogen 3.321 N/A ARG 135.A NE ASN 284.A OD1 no hydrogen 2.767 N/A ARG 135.A NH1 SER 133.A OG no hydrogen 3.214 N/A GLY 138.A N ILE 153.A O no hydrogen 2.929 N/A ILE 139.A N ASN 284.A O no hydrogen 3.042 N/A VAL 140.A N VAL 151.A O no hydrogen 2.882 N/A MET 141.A N VAL 286.A O no hydrogen 2.834 N/A ASP 142.A N HIS 149.A O no hydrogen 2.915 N/A SER 143.A N SER 288.A O no hydrogen 2.919 N/A SER 143.A OG SER 148.A OG no hydrogen 2.706 N/A GLY 144.A N VAL 147.A O no hydrogen 3.052 N/A GLY 146.A N SER 9.A OG no hydrogen 3.101 N/A SER 148.A OG SER 143.A OG no hydrogen 2.706 N/A SER 148.A OG LEU 168.A O no hydrogen 2.669 N/A HIS 149.A N ASP 142.A O no hydrogen 2.855 N/A THR 150.A N LEU 164.A O no hydrogen 2.904 N/A THR 150.A OG1 LEU 164.A O no hydrogen 3.429 N/A THR 150.A OG1 THR 265.A O no hydrogen 3.562 N/A THR 150.A OG1 SER 269.A OG no hydrogen 2.876 N/A VAL 151.A N VAL 140.A O no hydrogen 2.876 N/A ILE 153.A N GLY 138.A O no hydrogen 2.747 N/A TYR 154.A N TYR 157.A O no hydrogen 3.024 N/A GLU 155.A N THR 137.A OG1 no hydrogen 2.783 N/A GLY 156.A N THR 136.A O no hydrogen 2.621 N/A TYR 157.A N TYR 154.A O no hydrogen 3.296 N/A LEU 159.A N PRO 152.A O no hydrogen 2.965 N/A ALA 162.A N LEU 159.A O no hydrogen 2.971 N/A ILE 163.A N PRO 160.A O no hydrogen 3.284 N/A LEU 164.A N THR 150.A O no hydrogen 3.204 N/A ALA 169.A N ASP 172.A OD1 no hydrogen 2.981 N/A GLY 170.A N GLY 144.A O no hydrogen 2.885 N/A ARG 171.A N ASP 145.A O no hydrogen 2.965 N/A ARG 171.A NE ASP 145.A OD2 no hydrogen 2.788 N/A ARG 171.A NH1 ASP 145.A OD2 no hydrogen 2.718 N/A ARG 171.A NH2 GLU 61.A O no hydrogen 3.139 N/A LEU 173.A N ALA 169.A O no hydrogen 3.266 N/A THR 174.A N GLY 170.A O no hydrogen 2.904 N/A THR 174.A OG1 GLY 170.A O no hydrogen 3.378 N/A ASP 175.A N ARG 171.A O no hydrogen 2.890 N/A TYR 176.A N ASP 172.A O no hydrogen 2.956 N/A MET 177.A N LEU 173.A O no hydrogen 2.916 N/A MET 178.A N THR 174.A O no hydrogen 2.932 N/A LYS 179.A N ASP 175.A O no hydrogen 3.111 N/A LYS 179.A NZ GLU 183.A OE1 no hydrogen 3.243 N/A ILE 180.A N TYR 176.A O no hydrogen 3.088 N/A LEU 181.A N MET 177.A O no hydrogen 3.145 N/A THR 182.A N MET 178.A O no hydrogen 2.972 N/A THR 182.A OG1 MET 178.A O no hydrogen 2.898 N/A GLU 183.A N LYS 179.A O no hydrogen 3.130 N/A ARG 184.A N ILE 180.A O no hydrogen 3.089 N/A GLY 185.A N THR 182.A O no hydrogen 2.656 N/A TYR 186.A N LEU 181.A O no hydrogen 2.900 N/A TYR 186.A OH THR 237.A O no hydrogen 3.130 N/A ALA 193.A N THR 190.A O no hydrogen 3.285 N/A ILE 196.A N ALA 192.A O no hydrogen 2.874 N/A ILE 196.A N ALA 193.A O no hydrogen 3.024 N/A VAL 197.A N ALA 193.A O no hydrogen 3.012 N/A ARG 198.A N ALA 194.A O no hydrogen 2.742 N/A ASP 199.A N ALA 195.A O no hydrogen 3.157 N/A ILE 200.A N ILE 196.A O no hydrogen 2.908 N/A LYS 201.A N VAL 197.A O no hydrogen 2.901 N/A LYS 201.A NZ GLY 170.A O no hydrogen 3.324 N/A LYS 201.A NZ THR 174.A OG1 no hydrogen 2.896 N/A GLU 202.A N ARG 198.A O no hydrogen 2.934 N/A LYS 203.A N ASP 199.A O no hydrogen 2.956 N/A LYS 203.A NZ ASP 199.A OD2 no hydrogen 2.915 N/A LEU 204.A N ILE 200.A O no hydrogen 2.881 N/A ALA 205.A N LYS 201.A O no hydrogen 3.352 N/A TYR 206.A N ARG 242.A O no hydrogen 2.849 N/A TYR 206.A OH GLU 214.A OE1 no hydrogen 2.754 N/A VAL 207.A N PRO 295.A O no hydrogen 2.784 N/A GLU 214.A N ASP 210.A O no hydrogen 3.035 N/A MET 215.A N PHE 211.A O no hydrogen 2.980 N/A GLN 216.A N GLU 212.A O no hydrogen 2.951 N/A THR 217.A N ALA 213.A O no hydrogen 2.910 N/A THR 217.A OG1 ALA 213.A O no hydrogen 3.096 N/A ALA 218.A N GLU 214.A O no hydrogen 3.017 N/A ALA 219.A N MET 215.A O no hydrogen 2.907 N/A SER 220.A OG GLN 216.A O no hydrogen 3.452 N/A SER 220.A OG THR 217.A O no hydrogen 3.456 N/A SER 222.A N SER 221.A OG no hydrogen 2.521 N/A ALA 223.A N SER 221.A OG no hydrogen 3.307 N/A GLU 225.A N SER 222.A O no hydrogen 3.160 N/A LYS 226.A N ILE 238.A O no hydrogen 2.941 N/A TYR 228.A N ILE 236.A O no hydrogen 2.692 N/A TYR 228.A OH ASP 199.A OD1 no hydrogen 2.668 N/A LEU 230.A N GLN 234.A O no hydrogen 2.717 N/A GLY 233.A N LEU 230.A O no hydrogen 2.915 N/A GLN 234.A N ASP 232.A OD1 no hydrogen 2.922 N/A GLN 234.A NE2 ASP 232.A OD1 no hydrogen 3.562 N/A GLN 234.A NE2 ASP 232.A OD2 no hydrogen 2.622 N/A ILE 236.A N TYR 228.A O no hydrogen 2.715 N/A THR 237.A N TYR 186.A OH no hydrogen 2.951 N/A ILE 238.A N LYS 226.A O no hydrogen 2.863 N/A GLY 239.A N GLU 241.A OE1 no hydrogen 2.782 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.819 N/A ARG 242.A N GLY 239.A O no hydrogen 3.389 N/A ARG 242.A NE LEU 204.A O no hydrogen 2.907 N/A ARG 242.A NH1 LEU 224.A O no hydrogen 2.712 N/A ARG 242.A NH2 LEU 204.A O no hydrogen 3.433 N/A PHE 243.A N ASN 240.A O no hydrogen 3.114 N/A ARG 244.A N ASN 240.A O no hydrogen 2.906 N/A ARG 244.A NE ASN 240.A OD1 no hydrogen 3.154 N/A ARG 244.A NH2 ASN 240.A OD1 no hydrogen 3.150 N/A CYS 245.A N GLU 241.A O no hydrogen 3.204 N/A CYS 245.A SG LEU 173.A O no hydrogen 3.291 N/A GLU 247.A N PHE 243.A O no hydrogen 3.144 N/A ALA 248.A N CYS 245.A O no hydrogen 3.233 N/A LEU 249.A N PRO 246.A O no hydrogen 2.704 N/A GLN 251.A N GLU 247.A O no hydrogen 2.802 N/A GLN 251.A NE2 GLU 247.A OE2 no hydrogen 2.702 N/A PHE 254.A N GLN 251.A O no hydrogen 3.114 N/A LEU 255.A N PRO 252.A O no hydrogen 2.861 N/A GLY 256.A N SER 253.A O no hydrogen 2.612 N/A ILE 262.A N LEU 249.A O no hydrogen 3.039 N/A THR 265.A N GLY 261.A O no hydrogen 2.808 N/A THR 265.A OG1 GLY 261.A O no hydrogen 2.719 N/A THR 266.A N ILE 262.A O no hydrogen 3.175 N/A THR 266.A OG1 ILE 262.A O no hydrogen 2.570 N/A TYR 267.A N HIS 263.A O no hydrogen 3.087 N/A ASN 268.A N GLU 264.A O no hydrogen 2.902 N/A SER 269.A N THR 265.A O no hydrogen 3.156 N/A SER 269.A OG THR 150.A OG1 no hydrogen 2.876 N/A SER 269.A OG ALA 162.A O no hydrogen 2.552 N/A ILE 270.A N THR 266.A O no hydrogen 3.088 N/A MET 271.A N TYR 267.A O no hydrogen 2.879 N/A LYS 272.A N SER 269.A O no hydrogen 2.995 N/A CYS 273.A N ILE 270.A O no hydrogen 3.053 N/A CYS 273.A SG SER 269.A O no hydrogen 3.483 N/A ILE 277.A N ASP 274.A O no hydrogen 3.088 N/A ARG 278.A NE CYS 273.A O no hydrogen 2.671 N/A ARG 278.A NH2 CYS 273.A O no hydrogen 2.899 N/A ASP 280.A N ILE 277.A O no hydrogen 2.903 N/A LEU 281.A N ILE 277.A O no hydrogen 3.345 N/A TYR 282.A N ARG 278.A O no hydrogen 2.997 N/A GLY 283.A N LYS 279.A O no hydrogen 3.116 N/A ASN 284.A N LEU 281.A O no hydrogen 3.130 N/A ASN 284.A ND2 ASP 280.A O no hydrogen 2.792 N/A VAL 285.A N LYS 316.A O no hydrogen 3.017 N/A VAL 286.A N ILE 139.A O no hydrogen 2.973 N/A LEU 287.A N ILE 318.A O no hydrogen 2.731 N/A SER 288.A N MET 141.A O no hydrogen 2.993 N/A SER 288.A OG SER 129.A OG no hydrogen 2.764 N/A SER 288.A OG ASP 142.A OD1 no hydrogen 3.150 N/A GLY 289.A N ARG 323.A O no hydrogen 2.940 N/A THR 291.A N SER 143.A O no hydrogen 3.033 N/A THR 291.A OG1 GLY 144.A O no hydrogen 2.575 N/A THR 292.A N GLY 289.A O no hydrogen 3.227 N/A THR 292.A OG1 GLY 289.A O no hydrogen 2.875 N/A MET 293.A N GLY 290.A O no hydrogen 2.897 N/A ILE 297.A N PHE 294.A O no hydrogen 3.145 N/A ARG 300.A N GLY 296.A O no hydrogen 3.171 N/A ARG 300.A NE GLU 304.A OE1 no hydrogen 3.079 N/A ARG 300.A NH1 ALA 208.A O no hydrogen 2.760 N/A ARG 300.A NH1 GLU 247.A OE1 no hydrogen 2.637 N/A ARG 300.A NH1 GLU 247.A OE2 no hydrogen 3.453 N/A ARG 300.A NH2 GLU 247.A OE1 no hydrogen 3.423 N/A ARG 300.A NH2 GLU 247.A OE2 no hydrogen 2.605 N/A MET 301.A N ILE 297.A O no hydrogen 2.974 N/A ASN 302.A N ALA 298.A O no hydrogen 2.812 N/A LYS 303.A N ASP 299.A O no hydrogen 2.899 N/A LYS 303.A NZ LEU 209.A O no hydrogen 3.024 N/A GLU 304.A N ARG 300.A O no hydrogen 2.822 N/A LEU 305.A N MET 301.A O no hydrogen 3.101 N/A THR 306.A N ASN 302.A O no hydrogen 3.006 N/A THR 306.A OG1 ASN 302.A O no hydrogen 2.701 N/A THR 306.A OG1 ASN 302.A OD1 no hydrogen 3.451 N/A ALA 307.A N LYS 303.A O no hydrogen 3.166 N/A LEU 308.A N LEU 305.A O no hydrogen 3.211 N/A ALA 309.A N LEU 305.A O no hydrogen 3.062 N/A ALA 309.A N THR 306.A O no hydrogen 3.394 N/A MET 313.A N PRO 310.A O no hydrogen 2.963 N/A LYS 316.A N TYR 282.A O no hydrogen 3.046 N/A ILE 318.A N VAL 285.A O no hydrogen 2.718 N/A GLU 322.A N GLU 322.A OE1 no hydrogen 2.795 N/A ARG 323.A N PRO 320.A O no hydrogen 3.043 N/A ARG 323.A NE THR 292.A O no hydrogen 2.812 N/A ARG 323.A NH1 PRO 320.A O no hydrogen 2.777 N/A ARG 323.A NH2 THR 292.A O no hydrogen 2.833 N/A TYR 325.A N GLU 322.A O no hydrogen 2.737 N/A TRP 328.A NE1 VAL 4.A O no hydrogen 2.921 N/A ILE 329.A N TYR 325.A O no hydrogen 2.848 N/A GLY 330.A N SER 326.A O no hydrogen 2.876 N/A GLY 331.A N VAL 327.A O no hydrogen 2.978 N/A SER 332.A N TRP 328.A O no hydrogen 2.948 N/A SER 332.A OG ASP 19.A O no hydrogen 2.740 N/A ILE 333.A N ILE 329.A O no hydrogen 3.026 N/A LEU 334.A N GLY 330.A O no hydrogen 2.962 N/A ALA 335.A N GLY 331.A O no hydrogen 2.962 N/A SER 336.A N SER 332.A O no hydrogen 3.274 N/A SER 336.A N ILE 333.A O no hydrogen 3.070 N/A SER 336.A OG SER 332.A O no hydrogen 2.536 N/A LEU 337.A N LEU 334.A O no hydrogen 3.166 N/A PHE 340.A N LEU 337.A O no hydrogen 2.925 N/A MET 343.A N PHE 340.A O no hydrogen 2.870 N/A ILE 345.A N MET 120.A O no hydrogen 2.853 N/A SER 346.A N GLU 349.A OE2 no hydrogen 2.983 N/A LYS 347.A N PRO 118.A O no hydrogen 2.856 N/A LYS 347.A NZ ASP 351.A OD2 no hydrogen 3.475 N/A GLU 349.A N SER 346.A OG no hydrogen 3.090 N/A TYR 350.A N SER 346.A O no hydrogen 2.944 N/A TYR 350.A OH GLU 113.A OE2 no hydrogen 2.823 N/A ASP 351.A N LYS 347.A O no hydrogen 2.694 N/A SER 353.A N GLU 349.A O no hydrogen 3.015 N/A SER 353.A OG GLU 349.A O no hydrogen 2.764 N/A GLY 354.A N TYR 350.A O no hydrogen 2.557 N/A ILE 357.A N GLY 354.A O no hydrogen 3.376 N/A VAL 358.A N PRO 355.A O no hydrogen 3.451 N/A HIS 359.A N SER 356.A O no hydrogen 3.010 N/A HIS 359.A NE2 GLU 105.A OE2 no hydrogen 2.726 N/A ARG 360.A N ILE 357.A O no hydrogen 3.207 N/A LYS 361.A N ILE 357.A O no hydrogen 2.961 N/A LYS 361.A NZ GLN 342.A O no hydrogen 3.526 N/A LYS 361.A NZ TRP 344.A O no hydrogen 2.990 N/A LYS 361.A NZ GLU 349.A OE1 no hydrogen 2.884 N/A LYS 361.A NZ GLU 349.A OE2 no hydrogen 3.198 N/A CYS 362.A N VAL 358.A O no hydrogen 2.952 N/A