Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASN 33.A O no hydrogen 3.280 N/A GLU 2.A N ASN 33.A O no hydrogen 2.850 N/A THR 3.A OG1 GLU 80.A OE2 no hydrogen 3.301 N/A LEU 4.A N LEU 35.A O no hydrogen 2.886 N/A VAL 5.A N VAL 84.A O no hydrogen 2.911 N/A LEU 6.A N LYS 37.A O no hydrogen 2.883 N/A LEU 7.A N PHE 86.A O no hydrogen 3.228 N/A TYR 8.A N TYR 39.A O no hydrogen 3.115 N/A TYR 8.A OH THR 50.A OG1 no hydrogen 3.258 N/A GLY 9.A N SER 18.A OG no hydrogen 2.703 N/A GLY 10.A N ILE 41.A O no hydrogen 2.929 N/A ARG 11.A NE GLN 43.A O no hydrogen 3.247 N/A SER 12.A OG HIS 90.A O no hydrogen 2.584 N/A GLU 14.A N SER 12.A OG no hydrogen 3.065 N/A ARG 15.A NH1 SER 12.A O no hydrogen 2.504 N/A SER 18.A N GLU 14.A O no hydrogen 3.080 N/A SER 18.A OG GLY 9.A O no hydrogen 3.237 N/A SER 18.A OG VAL 88.A O no hydrogen 2.611 N/A VAL 19.A N ARG 15.A O no hydrogen 3.427 N/A LEU 20.A N ASP 16.A O no hydrogen 3.332 N/A SER 21.A N VAL 17.A O no hydrogen 2.849 N/A SER 21.A OG VAL 17.A O no hydrogen 3.311 N/A SER 21.A OG HIS 90.A NE2 no hydrogen 3.133 N/A ALA 22.A N SER 18.A O no hydrogen 2.921 N/A GLU 23.A N VAL 19.A O no hydrogen 2.905 N/A SER 24.A N LEU 20.A O no hydrogen 2.961 N/A SER 24.A OG PHE 282.A O no hydrogen 2.894 N/A SER 24.A OG TYR 297.A OH no hydrogen 3.164 N/A VAL 25.A N SER 21.A O no hydrogen 2.724 N/A MET 26.A N ALA 22.A O no hydrogen 2.944 N/A ARG 27.A N GLU 23.A O no hydrogen 3.167 N/A ARG 27.A NH2 ASP 59.A O no hydrogen 3.543 N/A ALA 28.A N SER 24.A O no hydrogen 3.009 N/A ILE 29.A N VAL 25.A O no hydrogen 3.080 N/A TYR 31.A OH MET 26.A O no hydrogen 3.005 N/A ASP 32.A N ASN 30.A OD1 no hydrogen 2.879 N/A ASN 33.A N ASN 30.A O no hydrogen 3.063 N/A ASN 33.A ND2 GLU 302.A OE2 no hydrogen 3.063 N/A PHE 34.A N TYR 31.A O no hydrogen 3.223 N/A LEU 35.A N GLU 2.A O no hydrogen 2.753 N/A VAL 36.A N PHE 53.A O no hydrogen 2.959 N/A LYS 37.A N LEU 4.A O no hydrogen 2.818 N/A LYS 37.A NZ GLU 80.A OE1 no hydrogen 2.534 N/A THR 38.A N GLN 51.A O no hydrogen 3.218 N/A THR 38.A OG1 THR 50.A OG1 no hydrogen 2.320 N/A THR 38.A OG1 GLN 51.A O no hydrogen 2.704 N/A TYR 39.A N LEU 6.A O no hydrogen 3.114 N/A PHE 40.A N ILE 48.A O no hydrogen 2.853 N/A ILE 41.A N TYR 8.A O no hydrogen 2.821 N/A THR 42.A N ASP 46.A O no hydrogen 2.740 N/A GLY 45.A N THR 42.A O no hydrogen 2.822 N/A ASP 46.A N THR 42.A OG1 no hydrogen 3.091 N/A ILE 48.A N PHE 40.A O no hydrogen 2.631 N/A LYS 49.A N GLN 71.A O no hydrogen 2.780 N/A LYS 49.A NZ GLU 52.A OE2 no hydrogen 2.593 N/A THR 50.A N THR 38.A O no hydrogen 3.317 N/A THR 50.A OG1 TYR 8.A OH no hydrogen 3.258 N/A THR 50.A OG1 THR 38.A OG1 no hydrogen 2.320 N/A THR 50.A OG1 GLN 51.A OE1 no hydrogen 3.349 N/A GLN 51.A N GLN 51.A OE1 no hydrogen 2.825 N/A GLN 51.A NE2 LYS 60.A O no hydrogen 2.678 N/A PHE 53.A N VAL 36.A O no hydrogen 2.840 N/A LEU 61.A N GLU 23.A OE2 no hydrogen 2.508 N/A MET 62.A N TYR 8.A OH no hydrogen 3.033 N/A THR 63.A N THR 66.A OG1 no hydrogen 3.005 N/A THR 63.A OG1 THR 66.A OG1 no hydrogen 2.844 N/A ASP 65.A N THR 63.A OG1 no hydrogen 3.375 N/A THR 66.A N THR 63.A O no hydrogen 3.097 N/A THR 66.A OG1 THR 63.A O no hydrogen 3.291 N/A THR 66.A OG1 THR 63.A OG1 no hydrogen 2.844 N/A GLN 71.A N ILE 68.A O no hydrogen 2.882 N/A LYS 72.A N ALA 69.A O no hydrogen 3.122 N/A ILE 73.A N PHE 47.A O no hydrogen 2.932 N/A ASP 77.A N LYS 74.A O no hydrogen 2.776 N/A ILE 78.A N PRO 75.A O no hydrogen 3.363 N/A TYR 79.A N SER 76.A O no hydrogen 3.026 N/A ALA 83.A N GLU 80.A O no hydrogen 3.179 N/A VAL 84.A N THR 3.A O no hydrogen 2.890 N/A VAL 85.A N PRO 109.A O no hydrogen 2.822 N/A PHE 86.A N VAL 5.A O no hydrogen 2.826 N/A VAL 88.A N LEU 7.A O no hydrogen 2.719 N/A HIS 90.A ND1 MET 279.A O no hydrogen 2.958 N/A HIS 90.A NE2 SER 21.A OG no hydrogen 3.133 N/A GLY 91.A N GLU 95.A OE1 no hydrogen 2.612 N/A MET 93.A N ASP 96.A OD1 no hydrogen 2.940 N/A GLY 94.A N GLY 91.A O no hydrogen 2.922 N/A GLU 95.A N GLY 91.A O no hydrogen 2.671 N/A SER 98.A N ASP 96.A OD1 no hydrogen 3.297 N/A SER 98.A OG ASP 96.A OD1 no hydrogen 3.313 N/A GLN 100.A NE2 GLY 94.A O no hydrogen 3.438 N/A GLY 101.A N GLY 97.A O no hydrogen 3.108 N/A PHE 102.A N SER 98.A O no hydrogen 3.016 N/A LEU 103.A N ILE 99.A O no hydrogen 3.043 N/A GLU 104.A N GLN 100.A O no hydrogen 2.894 N/A VAL 105.A N GLY 101.A O no hydrogen 2.971 N/A LEU 106.A N PHE 102.A O no hydrogen 2.956 N/A LYS 107.A N GLU 104.A O no hydrogen 3.004 N/A MET 108.A N LEU 103.A O no hydrogen 2.899 N/A TYR 110.A OH GLU 104.A OE2 no hydrogen 2.578 N/A VAL 111.A N VAL 85.A O no hydrogen 2.795 N/A THR 113.A OG1 SER 118.A OG no hydrogen 3.166 N/A ASN 114.A ND2 GLY 254.A O no hydrogen 3.551 N/A SER 117.A N ASN 114.A OD1 no hydrogen 3.026 N/A SER 117.A OG ASN 114.A OD1 no hydrogen 3.000 N/A SER 118.A N ASN 114.A O no hydrogen 3.045 N/A SER 118.A OG THR 113.A O no hydrogen 3.562 N/A SER 118.A OG THR 113.A OG1 no hydrogen 3.166 N/A SER 118.A OG ASN 114.A O no hydrogen 2.781 N/A SER 119.A N ILE 115.A O no hydrogen 3.126 N/A SER 119.A OG ILE 115.A O no hydrogen 3.042 N/A SER 119.A OG LEU 116.A O no hydrogen 3.515 N/A VAL 120.A N LEU 116.A O no hydrogen 2.990 N/A ALA 121.A N SER 117.A O no hydrogen 2.953 N/A MET 122.A N SER 118.A O no hydrogen 2.971 N/A ASP 123.A N SER 119.A O no hydrogen 3.046 N/A ASP 123.A N VAL 120.A O no hydrogen 2.912 N/A LYS 124.A NZ GLU 199.A OE1 no hydrogen 3.282 N/A LYS 124.A NZ GLU 199.A OE2 no hydrogen 2.699 N/A LYS 124.A NZ ASN 274.A OD1 no hydrogen 3.108 N/A THR 126.A N ASP 123.A OD2 no hydrogen 3.116 N/A THR 126.A OG1 ASP 123.A OD2 no hydrogen 2.560 N/A THR 127.A N ASP 123.A O no hydrogen 2.969 N/A THR 127.A OG1 VAL 120.A O no hydrogen 2.716 N/A THR 127.A OG1 ASP 123.A O no hydrogen 3.367 N/A ASN 128.A N LYS 124.A O no hydrogen 2.965 N/A GLN 129.A N ILE 125.A O no hydrogen 3.007 N/A VAL 130.A N THR 126.A O no hydrogen 2.888 N/A LEU 131.A N THR 127.A O no hydrogen 2.944 N/A GLU 132.A N ASN 128.A O no hydrogen 2.898 N/A SER 133.A N GLN 129.A O no hydrogen 3.079 N/A ALA 134.A N VAL 130.A O no hydrogen 2.693 N/A THR 135.A N LEU 131.A O no hydrogen 2.808 N/A THR 135.A OG1 LEU 131.A O no hydrogen 2.702 N/A ILE 137.A N THR 135.A OG1 no hydrogen 2.990 N/A GLN 139.A NE2 ILE 137.A O no hydrogen 3.039 N/A VAL 140.A N LEU 273.A O no hydrogen 3.374 N/A TYR 142.A OH GLU 132.A OE1 no hydrogen 2.777 N/A VAL 143.A N ILE 198.A O no hydrogen 2.778 N/A LEU 145.A N VAL 196.A O no hydrogen 2.785 N/A ILE 146.A N GLU 149.A OE1 no hydrogen 2.532 N/A GLU 147.A N SER 194.A O no hydrogen 2.684 N/A GLU 149.A N ILE 146.A O no hydrogen 2.936 N/A LYS 154.A N PRO 150.A O no hydrogen 3.289 N/A LYS 154.A NZ ALA 144.A O no hydrogen 2.718 N/A LYS 154.A NZ GLU 149.A OE2 no hydrogen 2.931 N/A LYS 154.A NZ GLU 157.A OE1 no hydrogen 2.875 N/A LEU 155.A N LEU 151.A O no hydrogen 2.870 N/A ALA 156.A N GLU 152.A O no hydrogen 3.138 N/A GLU 157.A N SER 153.A O no hydrogen 2.786 N/A VAL 158.A N LYS 154.A O no hydrogen 2.824 N/A GLU 159.A N LEU 155.A O no hydrogen 2.983 N/A GLU 160.A N ALA 156.A O no hydrogen 2.718 N/A LYS 161.A N GLU 157.A O no hydrogen 2.896 N/A LYS 161.A NZ GLU 157.A OE2 no hydrogen 2.716 N/A LEU 162.A N VAL 158.A O no hydrogen 2.822 N/A ILE 163.A N GLN 200.A OE1 no hydrogen 2.825 N/A TYR 164.A OH GLU 159.A OE2 no hydrogen 3.080 N/A VAL 166.A N ALA 176.A O no hydrogen 2.955 N/A PHE 167.A N GLU 199.A O no hydrogen 2.881 N/A VAL 168.A N SER 174.A O no hydrogen 2.840 N/A LYS 169.A N LEU 197.A O no hydrogen 3.021 N/A LYS 169.A NZ GLU 199.A OE1 no hydrogen 3.196 N/A ALA 171.A N ARG 195.A O no hydrogen 2.652 N/A ASN 172.A N ASP 193.A OD2 no hydrogen 2.817 N/A SER 174.A N VAL 168.A O no hydrogen 3.055 N/A LYS 175.A NZ GLU 177.A OE2 no hydrogen 2.952 N/A ALA 176.A N VAL 166.A O no hydrogen 2.900 N/A GLU 177.A N ASP 181.A OD2 no hydrogen 3.074 N/A ARG 179.A NH1 GLU 159.A OE1 no hydrogen 2.778 N/A ARG 179.A NH1 GLU 159.A OE2 no hydrogen 3.293 N/A ASP 181.A N ASN 178.A OD1 no hydrogen 2.824 N/A LEU 182.A N ASN 178.A O no hydrogen 3.049 N/A LYS 183.A N ARG 179.A O no hydrogen 2.907 N/A GLN 184.A N THR 180.A O no hydrogen 3.038 N/A ALA 185.A N ASP 181.A O no hydrogen 2.764 N/A ILE 186.A N LEU 182.A O no hydrogen 2.899 N/A ALA 187.A N LYS 183.A O no hydrogen 3.008 N/A LEU 188.A N GLN 184.A O no hydrogen 3.395 N/A ALA 189.A N ALA 185.A O no hydrogen 3.004 N/A LEU 190.A N ILE 186.A O no hydrogen 2.924 N/A LYS 191.A N LEU 188.A O no hydrogen 2.986 N/A TYR 192.A N ALA 189.A O no hydrogen 2.981 N/A ASP 193.A N ALA 189.A O no hydrogen 3.072 N/A ARG 195.A NH1 ASP 123.A OD1 no hydrogen 2.875 N/A ARG 195.A NH1 ASP 123.A OD2 no hydrogen 3.358 N/A ARG 195.A NH2 ASP 123.A OD2 no hydrogen 2.637 N/A VAL 196.A N LEU 145.A O no hydrogen 2.719 N/A LEU 197.A N LYS 169.A O no hydrogen 3.013 N/A ILE 198.A N VAL 143.A O no hydrogen 2.860 N/A GLU 199.A N PHE 167.A O no hydrogen 2.948 N/A GLN 200.A N ALA 141.A O no hydrogen 3.006 N/A GLN 200.A NE2 ILE 163.A O no hydrogen 2.610 N/A GLN 200.A NE2 GLY 201.A O no hydrogen 3.429 N/A GLY 201.A N PRO 165.A O no hydrogen 3.041 N/A ARG 205.A N LEU 265.A O no hydrogen 2.845 N/A ARG 205.A NE GLU 224.A OE1 no hydrogen 3.233 N/A ARG 205.A NE GLU 224.A OE2 no hydrogen 2.909 N/A ARG 205.A NH2 GLU 224.A OE1 no hydrogen 2.647 N/A ARG 205.A NH2 GLU 233.A O no hydrogen 3.272 N/A ILE 207.A N PHE 263.A O no hydrogen 3.025 N/A GLU 208.A N GLY 223.A O no hydrogen 2.871 N/A VAL 209.A N CYS 261.A O no hydrogen 2.890 N/A GLY 210.A N THR 220.A OG1 no hydrogen 2.891 N/A ILE 211.A N SER 259.A O no hydrogen 2.970 N/A LEU 212.A N LYS 218.A O no hydrogen 2.880 N/A GLY 213.A N GLY 257.A O no hydrogen 2.937 N/A ASN 214.A ND2 LEU 307.A O no hydrogen 3.086 N/A LYS 218.A N LEU 212.A O no hydrogen 2.856 N/A THR 220.A N GLY 210.A O no hydrogen 2.950 N/A THR 220.A OG1 LEU 221.A O no hydrogen 2.914 N/A GLY 223.A N GLU 208.A O no hydrogen 2.893 N/A GLU 224.A N ALA 229.A O no hydrogen 2.781 N/A ILE 225.A N GLU 206.A O no hydrogen 3.004 N/A VAL 226.A N THR 227.A O no hydrogen 2.703 N/A ALA 229.A N GLU 224.A O no hydrogen 2.773 N/A ALA 232.A N PRO 222.A O no hydrogen 2.797 N/A VAL 237.A N ASP 235.A OD1 no hydrogen 3.167 N/A VAL 239.A N ASP 235.A O no hydrogen 3.003 N/A GLU 240.A N PRO 236.A O no hydrogen 2.946 N/A LYS 241.A N VAL 237.A O no hydrogen 3.091 N/A MET 242.A N ILE 238.A O no hydrogen 2.970 N/A ARG 243.A N VAL 239.A O no hydrogen 3.118 N/A ARG 243.A NE THR 219.A OG1 no hydrogen 2.993 N/A ARG 243.A NH2 THR 219.A O no hydrogen 3.008 N/A ASP 244.A N GLU 240.A O no hydrogen 2.839 N/A TYR 245.A N LYS 241.A O no hydrogen 2.804 N/A ALA 246.A N MET 242.A O no hydrogen 3.018 N/A ALA 247.A N ARG 243.A O no hydrogen 2.980 N/A THR 248.A N ASP 244.A O no hydrogen 2.765 N/A THR 248.A OG1 ASP 244.A O no hydrogen 2.800 N/A THR 248.A OG1 ASP 244.A OD1 no hydrogen 3.553 N/A ALA 249.A N TYR 245.A O no hydrogen 2.749 N/A PHE 250.A N ALA 246.A O no hydrogen 2.989 N/A ARG 251.A N ALA 247.A O no hydrogen 2.925 N/A THR 252.A N THR 248.A O no hydrogen 2.906 N/A THR 252.A OG1 THR 248.A O no hydrogen 2.832 N/A LEU 253.A N ALA 249.A O no hydrogen 3.286 N/A GLY 254.A N ARG 251.A O no hydrogen 3.179 N/A CYS 255.A N PHE 250.A O no hydrogen 2.910 N/A CYS 256.A SG GLY 112.A O no hydrogen 3.522 N/A GLY 257.A N GLY 213.A O no hydrogen 2.912 N/A GLY 257.A N ASN 214.A OD1 no hydrogen 2.997 N/A SER 259.A N ILE 211.A O no hydrogen 3.386 N/A SER 259.A OG LEU 258.A O no hydrogen 2.686 N/A ARG 260.A N ASN 277.A O no hydrogen 2.876 N/A ARG 260.A NE ASP 262.A OD1 no hydrogen 2.795 N/A ARG 260.A NH2 ASP 262.A OD1 no hydrogen 3.489 N/A ARG 260.A NH2 ASP 262.A OD2 no hydrogen 2.593 N/A CYS 261.A N VAL 209.A O no hydrogen 2.901 N/A ASP 262.A N GLU 275.A O no hydrogen 2.844 N/A PHE 263.A N ILE 207.A O no hydrogen 2.760 N/A PHE 264.A N TYR 272.A O no hydrogen 2.855 N/A LEU 265.A N ARG 205.A O no hydrogen 2.863 N/A THR 266.A N LYS 270.A O no hydrogen 2.941 N/A THR 266.A OG1 LYS 270.A O no hydrogen 3.462 N/A GLY 269.A N THR 266.A O no hydrogen 2.803 N/A LYS 270.A N THR 266.A OG1 no hydrogen 3.096 N/A TYR 272.A N PHE 264.A O no hydrogen 2.979 N/A LEU 273.A N PRO 138.A O no hydrogen 2.667 N/A ASN 274.A N ASP 262.A O no hydrogen 2.855 N/A GLU 275.A N ASP 262.A O no hydrogen 3.116 N/A ASN 277.A N ARG 260.A O no hydrogen 2.863 N/A MET 279.A N GLU 95.A OE2 no hydrogen 2.950 N/A PHE 282.A N SER 21.A OG no hydrogen 3.000 N/A TYR 286.A OH ILE 211.A O no hydrogen 2.673 N/A LEU 289.A N MET 285.A O no hydrogen 2.797 N/A TRP 290.A N TYR 286.A O no hydrogen 3.380 N/A GLU 291.A N PRO 287.A O no hydrogen 2.879 N/A ASN 292.A N LEU 288.A O no hydrogen 3.061 N/A GLY 294.A N GLU 291.A O no hydrogen 2.933 N/A LEU 295.A N TRP 290.A O no hydrogen 2.829 N/A TYR 297.A OH SER 24.A OG no hydrogen 3.164 N/A LEU 300.A N SER 296.A O no hydrogen 2.642 N/A ILE 301.A N TYR 297.A O no hydrogen 2.985 N/A GLU 302.A N SER 298.A O no hydrogen 3.265 N/A GLU 303.A N VAL 299.A O no hydrogen 3.089 N/A LEU 304.A N LEU 300.A O no hydrogen 3.145 N/A VAL 305.A N ILE 301.A O no hydrogen 2.941 N/A SER 306.A N GLU 302.A O no hydrogen 2.898 N/A LEU 307.A N GLU 303.A O no hydrogen 2.835 N/A ALA 308.A N LEU 304.A O no hydrogen 3.008 N/A LYS 309.A N VAL 305.A O no hydrogen 3.131 N/A LYS 309.A NZ GLU 2.A OE1 no hydrogen 2.597 N/A GLU 310.A N SER 306.A O no hydrogen 3.071 N/A MET 311.A N LEU 307.A O no hydrogen 2.873 N/A PHE 312.A N ALA 308.A O no hydrogen 2.932 N/A ASP 313.A N LYS 309.A O no hydrogen 2.816 N/A LYS 314.A N GLU 310.A O no hydrogen 3.061 N/A ARG 315.A N MET 311.A O no hydrogen 2.845 N/A GLU 316.A N PHE 312.A O no hydrogen 2.842 N/A SER 317.A N ASP 313.A O no hydrogen 2.964 N/A SER 317.A OG ASP 313.A O no hydrogen 2.909 N/A SER 317.A OG LYS 314.A O no hydrogen 3.244 N/A