Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w6o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 4.A OE2 no hydrogen 2.651 N/A ILE 7.A N GLU 4.A O no hydrogen 3.044 N/A ILE 10.A N LEU 6.A O no hydrogen 2.842 N/A ASN 11.A N ILE 7.A O no hydrogen 2.941 N/A LYS 12.A N PRO 8.A O no hydrogen 3.238 N/A LYS 12.A NZ GLU 330.A OE1 no hydrogen 3.031 N/A LEU 13.A N VAL 9.A O no hydrogen 2.956 N/A GLN 14.A N ILE 10.A O no hydrogen 2.813 N/A GLN 14.A NE2 ASN 18.A OD1 no hydrogen 3.307 N/A ASP 15.A N ASN 11.A O no hydrogen 3.194 N/A VAL 16.A N LYS 12.A O no hydrogen 3.216 N/A PHE 17.A N LEU 13.A O no hydrogen 3.109 N/A ASN 18.A N GLN 14.A O no hydrogen 2.743 N/A THR 19.A N ASP 15.A O no hydrogen 2.993 N/A THR 19.A OG1 ASP 15.A O no hydrogen 2.869 N/A VAL 20.A N VAL 16.A O no hydrogen 2.899 N/A GLN 29.A N ASN 167.A O no hydrogen 3.167 N/A ILE 30.A N THR 132.A O no hydrogen 2.843 N/A VAL 31.A N ILE 169.A O no hydrogen 2.863 N/A VAL 32.A N VAL 134.A O no hydrogen 3.231 N/A VAL 33.A N LEU 171.A O no hydrogen 2.973 N/A THR 35.A OG1 GLU 184.A OE1 no hydrogen 2.673 N/A GLN 36.A N MET 139.A O no hydrogen 2.865 N/A SER 38.A N THR 35.A O no hydrogen 3.089 N/A SER 38.A OG THR 35.A O no hydrogen 2.789 N/A LYS 40.A NZ THR 35.A O no hydrogen 3.079 N/A SER 41.A OG THR 61.A OG1 no hydrogen 2.921 N/A SER 41.A OG ASP 135.A OD1 no hydrogen 3.269 N/A SER 41.A OG ASP 135.A OD2 no hydrogen 2.632 N/A VAL 43.A N GLY 39.A O no hydrogen 3.009 N/A LEU 44.A N LYS 40.A O no hydrogen 2.913 N/A GLU 45.A N SER 41.A O no hydrogen 3.017 N/A SER 46.A N SER 42.A O no hydrogen 3.203 N/A SER 46.A OG VAL 43.A O no hydrogen 2.623 N/A LEU 47.A N LEU 44.A O no hydrogen 3.236 N/A VAL 48.A N GLU 45.A O no hydrogen 2.940 N/A GLY 49.A N GLU 45.A O no hydrogen 2.869 N/A ARG 50.A NH1 GLU 78.A OE1 no hydrogen 2.677 N/A LEU 52.A N GLU 45.A OE2 no hydrogen 3.037 N/A LEU 53.A N GLU 45.A OE2 no hydrogen 3.160 N/A THR 61.A OG1 SER 41.A OG no hydrogen 2.921 N/A ARG 62.A NH1 SER 108.A O no hydrogen 3.515 N/A ARG 62.A NH1 GLY 109.A O no hydrogen 2.974 N/A ARG 62.A NH1 GLY 113.A O no hydrogen 2.919 N/A ARG 62.A NH2 GLY 109.A O no hydrogen 2.934 N/A ARG 63.A NE GLU 117.A O no hydrogen 2.730 N/A ARG 63.A NH1 GLU 103.A O no hydrogen 2.918 N/A ARG 63.A NH1 GLU 103.A OE2 no hydrogen 2.914 N/A ARG 63.A NH2 GLU 117.A O no hydrogen 3.181 N/A LEU 65.A N ASP 135.A O no hydrogen 2.937 N/A ILE 66.A N ILE 119.A O no hydrogen 2.786 N/A LEU 67.A N LEU 133.A O no hydrogen 2.756 N/A GLN 68.A N LEU 121.A O no hydrogen 2.788 N/A LEU 69.A N LEU 131.A O no hydrogen 2.786 N/A VAL 70.A N ILE 123.A O no hydrogen 2.854 N/A HIS 71.A N ASN 130.A OD1 no hydrogen 2.781 N/A HIS 71.A ND1 VAL 128.A O no hydrogen 2.877 N/A VAL 72.A N SER 125.A O no hydrogen 2.866 N/A TRP 79.A N PHE 124.A O no hydrogen 3.087 N/A GLY 80.A N TYR 90.A O no hydrogen 2.716 N/A LYS 81.A N LYS 122.A O no hydrogen 2.803 N/A LEU 83.A N HIS 120.A O no hydrogen 3.080 N/A HIS 84.A NE2 GLU 99.A OE2 no hydrogen 2.620 N/A LYS 86.A N LEU 83.A O no hydrogen 3.057 N/A LYS 86.A NZ LEU 83.A O no hydrogen 2.793 N/A TYR 90.A N GLY 80.A O no hydrogen 2.887 N/A ASP 94.A N ASP 92.A OD1 no hydrogen 3.178 N/A ILE 96.A N ASP 92.A O no hydrogen 3.132 N/A ARG 97.A N PHE 93.A O no hydrogen 3.053 N/A ARG 97.A NH1 ASP 94.A OD1 no hydrogen 3.124 N/A GLN 98.A N ASP 94.A O no hydrogen 2.972 N/A GLU 99.A N GLU 95.A O no hydrogen 2.920 N/A ILE 100.A N ILE 96.A O no hydrogen 3.002 N/A GLU 101.A N ARG 97.A O no hydrogen 3.181 N/A ASN 102.A N GLN 98.A O no hydrogen 2.784 N/A ASN 102.A ND2 GLU 99.A OE1 no hydrogen 3.535 N/A GLU 103.A N GLU 99.A O no hydrogen 2.785 N/A THR 104.A N ILE 100.A O no hydrogen 2.949 N/A THR 104.A OG1 ILE 100.A O no hydrogen 2.720 N/A GLU 105.A N GLU 101.A O no hydrogen 3.007 N/A ARG 106.A N ASN 102.A O no hydrogen 2.938 N/A ARG 106.A NE GLU 103.A OE1 no hydrogen 2.689 N/A ARG 106.A NE GLU 103.A OE2 no hydrogen 3.393 N/A ARG 106.A NH2 GLU 103.A OE2 no hydrogen 3.066 N/A ILE 107.A N GLU 103.A O no hydrogen 3.390 N/A SER 108.A N THR 104.A O no hydrogen 2.734 N/A SER 108.A OG ARG 62.A O no hydrogen 3.111 N/A GLY 109.A N GLU 105.A O no hydrogen 2.940 N/A SER 115.A N ARG 62.A O no hydrogen 2.881 N/A GLU 117.A N SER 115.A OG no hydrogen 3.105 N/A ILE 119.A N PRO 64.A O no hydrogen 2.853 N/A LEU 121.A N ILE 66.A O no hydrogen 2.947 N/A LYS 122.A N LYS 81.A O no hydrogen 2.772 N/A ILE 123.A N GLN 68.A O no hydrogen 2.911 N/A PHE 124.A N TRP 79.A O no hydrogen 2.715 N/A SER 125.A N VAL 70.A O no hydrogen 3.075 N/A SER 125.A OG GLU 78.A OE2 no hydrogen 2.564 N/A ASN 127.A N SER 125.A OG no hydrogen 3.033 N/A LEU 131.A N LEU 69.A O no hydrogen 3.105 N/A LEU 133.A N LEU 67.A O no hydrogen 2.777 N/A VAL 134.A N ILE 30.A O no hydrogen 2.772 N/A ASP 135.A N LEU 65.A O no hydrogen 2.900 N/A MET 139.A N GLY 34.A O no hydrogen 2.979 N/A LYS 141.A NZ THR 140.A O no hydrogen 3.009 N/A LYS 141.A NZ GLU 152.A OE2 no hydrogen 3.004 N/A LYS 141.A NZ GLU 184.A OE2 no hydrogen 2.613 N/A VAL 144.A N GLN 147.A OE1 no hydrogen 2.975 N/A ASP 146.A N ASN 111.A O no hydrogen 2.766 N/A GLN 147.A N VAL 144.A O no hydrogen 3.067 N/A GLN 147.A NE2 LYS 112.A O no hydrogen 2.744 N/A ILE 151.A N PRO 148.A O no hydrogen 3.173 N/A GLN 154.A N ASP 150.A O no hydrogen 2.991 N/A ILE 155.A N ILE 151.A O no hydrogen 2.929 N/A ARG 156.A N GLU 152.A O no hydrogen 2.912 N/A ARG 156.A NH1 GLU 191.A OE1 no hydrogen 2.860 N/A ARG 156.A NH1 GLU 191.A OE2 no hydrogen 3.436 N/A ARG 156.A NH2 GLU 191.A OE1 no hydrogen 3.505 N/A ARG 156.A NH2 GLU 191.A OE2 no hydrogen 2.880 N/A GLU 157.A N LEU 153.A O no hydrogen 2.917 N/A LEU 158.A N GLN 154.A O no hydrogen 3.079 N/A ILE 159.A N ILE 155.A O no hydrogen 2.963 N/A LEU 160.A N ARG 156.A O no hydrogen 2.939 N/A ARG 161.A N GLU 157.A O no hydrogen 2.888 N/A PHE 162.A N ILE 159.A O no hydrogen 2.958 N/A ILE 163.A N ILE 159.A O no hydrogen 2.950 N/A SER 164.A N LEU 160.A O no hydrogen 2.929 N/A SER 164.A OG LEU 160.A O no hydrogen 2.751 N/A ASN 165.A N PHE 162.A O no hydrogen 3.438 N/A ASN 167.A ND2 GLN 26.A O no hydrogen 3.423 N/A SER 168.A OG ASN 165.A O no hydrogen 2.662 N/A ILE 169.A N GLN 29.A O no hydrogen 2.720 N/A ILE 170.A N ARG 198.A O no hydrogen 2.851 N/A LEU 171.A N VAL 31.A O no hydrogen 2.754 N/A ALA 172.A N LEU 200.A O no hydrogen 2.938 N/A VAL 173.A N VAL 33.A O no hydrogen 2.965 N/A THR 174.A N VAL 202.A O no hydrogen 3.007 N/A THR 174.A OG1 SER 183.A OG no hydrogen 2.736 N/A ALA 176.A N THR 204.A O no hydrogen 2.796 N/A THR 178.A N ALA 175.A O no hydrogen 3.192 N/A THR 178.A OG1 ALA 175.A O no hydrogen 2.675 N/A THR 182.A N ASP 179.A O no hydrogen 2.884 N/A THR 182.A OG1 ASP 179.A O no hydrogen 2.629 N/A SER 183.A N MET 180.A O no hydrogen 2.856 N/A SER 183.A OG THR 174.A OG1 no hydrogen 2.736 N/A LEU 186.A N SER 183.A OG no hydrogen 2.873 N/A LYS 187.A N SER 183.A O no hydrogen 3.113 N/A ILE 188.A N GLU 184.A O no hydrogen 3.062 N/A SER 189.A N ALA 185.A O no hydrogen 2.924 N/A SER 189.A OG ALA 185.A O no hydrogen 2.717 N/A ARG 190.A N LEU 186.A O no hydrogen 3.041 N/A GLU 191.A N LYS 187.A O no hydrogen 3.353 N/A GLU 191.A N ILE 188.A O no hydrogen 3.207 N/A VAL 192.A N SER 189.A O no hydrogen 3.266 N/A ASP 193.A N SER 189.A O no hydrogen 2.725 N/A GLY 196.A N ASP 193.A O no hydrogen 3.113 N/A ARG 197.A N ASP 193.A OD1 no hydrogen 3.027 N/A ARG 198.A N ASP 193.A OD2 no hydrogen 2.805 N/A ARG 198.A NH1 ILE 163.A O no hydrogen 3.088 N/A ARG 198.A NH1 SER 168.A O no hydrogen 3.059 N/A ARG 198.A NH2 ILE 163.A O no hydrogen 2.815 N/A ARG 198.A NH2 VAL 192.A O no hydrogen 3.509 N/A THR 199.A OG1 ASP 193.A OD2 no hydrogen 2.670 N/A LEU 200.A N ILE 170.A O no hydrogen 2.885 N/A ALA 201.A N GLY 229.A O no hydrogen 3.160 N/A VAL 202.A N ALA 172.A O no hydrogen 2.928 N/A ILE 203.A N ILE 231.A O no hydrogen 2.866 N/A THR 204.A N THR 174.A O no hydrogen 3.038 N/A THR 204.A OG1 SER 38.A O no hydrogen 2.577 N/A LYS 205.A NZ SER 37.A O no hydrogen 2.726 N/A LEU 208.A N LYS 205.A O no hydrogen 2.944 N/A MET 209.A N LEU 206.A O no hydrogen 3.428 N/A THR 213.A N ASP 210.A O no hydrogen 3.068 N/A THR 213.A OG1 ASP 210.A O no hydrogen 2.672 N/A ALA 215.A N TYR 262.A OH no hydrogen 2.840 N/A MET 216.A N ASP 214.A OD1 no hydrogen 2.983 N/A LEU 219.A N ALA 215.A O no hydrogen 2.834 N/A MET 220.A N MET 216.A O no hydrogen 2.974 N/A GLY 221.A N VAL 218.A O no hydrogen 3.209 N/A ARG 222.A N ASP 217.A O no hydrogen 2.862 N/A GLY 229.A N VAL 226.A O no hydrogen 3.053 N/A ILE 231.A N ALA 201.A O no hydrogen 2.850 N/A GLY 232.A N ASN 269.A OD1 no hydrogen 2.664 N/A VAL 233.A N ILE 203.A O no hydrogen 2.866 N/A VAL 234.A N GLU 254.A OE2 no hydrogen 2.985 N/A ARG 236.A NH1 ASP 51.A OD1 no hydrogen 3.482 N/A ARG 236.A NH1 ASP 51.A OD2 no hydrogen 2.843 N/A ARG 236.A NH1 LYS 245.A O no hydrogen 2.842 N/A ARG 236.A NH2 ASP 51.A OD1 no hydrogen 2.787 N/A SER 237.A N ASP 240.A OD2 no hydrogen 3.098 N/A GLN 238.A NE2 ASN 242.A OD1 no hydrogen 2.975 N/A ASP 240.A N SER 237.A OG no hydrogen 2.966 N/A ILE 241.A N SER 237.A O no hydrogen 2.948 N/A ASN 242.A N GLN 238.A O no hydrogen 2.846 N/A ASN 243.A N LEU 239.A O no hydrogen 2.927 N/A LYS 244.A N ILE 241.A O no hydrogen 3.014 N/A LYS 245.A N ASP 240.A O no hydrogen 3.005 N/A LYS 245.A NZ ASP 253.A OD2 no hydrogen 2.615 N/A ASP 249.A N SER 246.A OG no hydrogen 3.037 N/A SER 250.A N SER 246.A O no hydrogen 3.020 N/A ILE 251.A N VAL 247.A O no hydrogen 2.896 N/A ARG 252.A N THR 248.A O no hydrogen 3.012 N/A ASP 253.A N ASP 249.A O no hydrogen 3.000 N/A GLU 254.A N SER 250.A O no hydrogen 2.873 N/A TYR 255.A N ILE 251.A O no hydrogen 2.934 N/A ALA 256.A N ARG 252.A O no hydrogen 3.024 N/A PHE 257.A N ASP 253.A O no hydrogen 2.899 N/A LEU 258.A N GLU 254.A O no hydrogen 3.067 N/A GLN 259.A N TYR 255.A O no hydrogen 2.984 N/A LYS 260.A N ALA 256.A O no hydrogen 2.928 N/A LYS 261.A N PHE 257.A O no hydrogen 2.831 N/A TYR 262.A N LEU 258.A O no hydrogen 2.730 N/A LEU 265.A N TYR 262.A O no hydrogen 2.943 N/A ARG 268.A N LEU 265.A O no hydrogen 2.915 N/A ASN 269.A N ALA 266.A O no hydrogen 3.346 N/A ASN 269.A ND2 LEU 265.A O no hydrogen 2.916 N/A GLY 270.A N GLY 232.A O no hydrogen 2.756 N/A THR 271.A N GLU 254.A OE1 no hydrogen 2.798 N/A THR 271.A OG1 GLU 254.A OE1 no hydrogen 3.230 N/A THR 271.A OG1 GLU 254.A OE2 no hydrogen 2.839 N/A LEU 274.A N GLY 270.A O no hydrogen 3.003 N/A ALA 275.A N THR 271.A O no hydrogen 2.963 N/A ARG 276.A N LYS 272.A O no hydrogen 2.999 N/A THR 277.A N TYR 273.A O no hydrogen 2.883 N/A THR 277.A OG1 TYR 273.A O no hydrogen 2.842 N/A LEU 278.A N LEU 274.A O no hydrogen 2.961 N/A ASN 279.A N ALA 275.A O no hydrogen 2.927 N/A ARG 280.A N ARG 276.A O no hydrogen 3.047 N/A LEU 281.A N THR 277.A O no hydrogen 3.149 N/A LEU 282.A N LEU 278.A O no hydrogen 2.852 N/A MET 283.A N ASN 279.A O no hydrogen 2.890 N/A HIS 284.A N ARG 280.A O no hydrogen 2.883 N/A HIS 285.A N LEU 281.A O no hydrogen 3.048 N/A ILE 286.A N LEU 282.A O no hydrogen 2.872 N/A ARG 287.A N MET 283.A O no hydrogen 2.930 N/A ARG 287.A NE ARG 332.A O no hydrogen 3.328 N/A ARG 287.A NH2 ILE 331.A O no hydrogen 3.434 N/A ARG 287.A NH2 ARG 332.A O no hydrogen 3.260 N/A ARG 287.A NH2 THR 334.A O no hydrogen 2.828 N/A ASP 288.A N HIS 285.A O no hydrogen 3.172 N/A CYS 289.A N ILE 286.A O no hydrogen 3.006 N/A CYS 289.A SG ILE 286.A O no hydrogen 3.340 N/A LEU 293.A N CYS 289.A O no hydrogen 3.146 N/A LYS 294.A N LEU 290.A O no hydrogen 2.714 N/A THR 295.A N PRO 291.A O no hydrogen 3.126 N/A THR 295.A OG1 GLU 292.A O no hydrogen 3.080 N/A ILE 297.A N LEU 293.A O no hydrogen 3.250 N/A ASN 298.A N LYS 294.A O no hydrogen 3.138 N/A VAL 299.A N THR 295.A O no hydrogen 3.248 N/A LEU 300.A N ARG 296.A O no hydrogen 3.173 N/A ALA 301.A N ILE 297.A O no hydrogen 2.919 N/A ALA 302.A N ASN 298.A O no hydrogen 3.311 N/A GLN 303.A N VAL 299.A O no hydrogen 2.975 N/A TYR 304.A N LEU 300.A O no hydrogen 2.918 N/A GLN 305.A N ALA 301.A O no hydrogen 2.982 N/A SER 306.A N ALA 302.A O no hydrogen 3.280 N/A SER 306.A OG GLN 303.A O no hydrogen 2.888 N/A ALA 314.A N ARG 310.A O no hydrogen 3.345 N/A ASP 316.A N LYS 312.A O no hydrogen 2.917 N/A LEU 318.A N ALA 314.A O no hydrogen 3.202 N/A LYS 319.A N ALA 315.A O no hydrogen 3.213 N/A ALA 320.A N ASP 316.A O no hydrogen 2.911 N/A LEU 321.A N MET 317.A O no hydrogen 2.847 N/A GLN 322.A N LEU 318.A O no hydrogen 3.076 N/A GLY 323.A N LYS 319.A O no hydrogen 3.053 N/A ALA 324.A N ALA 320.A O no hydrogen 3.163 N/A SER 325.A N LEU 321.A O no hydrogen 3.160 N/A GLN 326.A N GLN 322.A O no hydrogen 3.316 N/A ILE 327.A N GLY 323.A O no hydrogen 2.935 N/A ILE 328.A N ALA 324.A O no hydrogen 2.962 N/A ALA 329.A N SER 325.A O no hydrogen 3.195 N/A GLU 330.A N GLN 326.A O no hydrogen 2.844 N/A ILE 331.A N ILE 327.A O no hydrogen 2.867 N/A ARG 332.A N ILE 328.A O no hydrogen 3.080 N/A GLU 333.A N GLU 330.A O no hydrogen 3.002 N/A THR 334.A N ILE 331.A O no hydrogen 3.163 N/A THR 334.A OG1 GLU 330.A O no hydrogen 2.676 N/A