Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k17_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 39.A O no hydrogen 2.783 N/A GLN 4.A N THR 345.A O no hydrogen 2.904 N/A VAL 5.A N LEU 37.A O no hydrogen 2.836 N/A LYS 6.A N GLN 343.A O no hydrogen 2.838 N/A LYS 6.A NZ THR 36.A OG1 no hydrogen 3.021 N/A ILE 7.A N ILE 35.A O no hydrogen 2.910 N/A GLY 9.A N ARG 33.A O no hydrogen 2.847 N/A LYS 10.A N LEU 112.A O no hydrogen 2.713 N/A LYS 10.A NZ LYS 10.A O no hydrogen 2.851 N/A LEU 11.A N THR 29.A O no hydrogen 2.972 N/A TYR 12.A OH SER 153.A OG no hydrogen 2.934 N/A VAL 13.A N ILE 27.A O no hydrogen 2.831 N/A ALA 14.A N ILE 27.A O no hydrogen 3.487 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.960 N/A TYR 17.A OH SER 304.A O no hydrogen 2.631 N/A VAL 19.A N GLY 15.A O no hydrogen 3.028 N/A VAL 20.A N TYR 17.A O no hydrogen 3.212 N/A GLU 21.A N ALA 18.A O no hydrogen 2.836 N/A GLY 23.A N THR 169.A O no hydrogen 2.733 N/A HIS 24.A N GLU 21.A O no hydrogen 3.104 N/A HIS 24.A ND1 SER 22.A O no hydrogen 2.981 N/A THR 25.A OG1 THR 168.A OG1 no hydrogen 2.657 N/A ALA 26.A N TYR 167.A O no hydrogen 2.809 N/A ILE 27.A N ALA 14.A O no hydrogen 3.020 N/A LEU 28.A N ILE 165.A O no hydrogen 2.932 N/A THR 29.A N LEU 11.A O no hydrogen 3.096 N/A THR 29.A OG1 ALA 30.A O no hydrogen 3.005 N/A ALA 30.A N GLY 163.A O no hydrogen 2.925 N/A VAL 31.A N GLY 9.A O no hydrogen 2.826 N/A ASN 32.A ND2 PRO 336.A O no hydrogen 3.180 N/A ARG 33.A NH2 PRO 336.A O no hydrogen 3.059 N/A TYR 34.A N GLU 101.A OE1 no hydrogen 2.841 N/A TYR 34.A OH ARG 341.A O no hydrogen 3.378 N/A ILE 35.A N ILE 7.A O no hydrogen 2.883 N/A THR 36.A N GLU 99.A O no hydrogen 2.851 N/A LEU 37.A N VAL 5.A O no hydrogen 2.774 N/A THR 38.A N VAL 97.A O no hydrogen 2.902 N/A LEU 39.A N LEU 3.A O no hydrogen 2.753 N/A GLU 40.A N LYS 96.A O no hydrogen 2.985 N/A SER 42.A N PRO 94.A O no hydrogen 3.174 N/A SER 42.A OG ARG 44.A O no hydrogen 2.615 N/A ASN 45.A ND2 TRP 58.A O no hydrogen 2.930 N/A GLU 46.A N VAL 95.A O no hydrogen 2.943 N/A LEU 47.A N VAL 56.A O no hydrogen 3.089 N/A TRP 48.A NE1 GLU 46.A OE1 no hydrogen 2.802 N/A TYR 52.A N ILE 49.A O no hydrogen 3.225 N/A VAL 56.A N LEU 47.A O no hydrogen 3.103 N/A SER 57.A OG ASN 45.A O no hydrogen 2.622 N/A GLY 62.A N PRO 59.A O no hydrogen 2.829 N/A LYS 65.A NZ GLU 63.A OE1 no hydrogen 2.974 N/A HIS 70.A N TYR 52.A OH no hydrogen 3.245 N/A TRP 71.A N GLY 68.A O no hydrogen 3.290 N/A THR 72.A N GLU 69.A O no hydrogen 3.462 N/A THR 72.A OG1 GLU 69.A O no hydrogen 2.892 N/A THR 74.A OG1 TRP 71.A O no hydrogen 3.188 N/A ALA 75.A N TRP 71.A O no hydrogen 2.802 N/A GLU 76.A N THR 72.A O no hydrogen 2.936 N/A ALA 77.A N PHE 73.A O no hydrogen 3.181 N/A ILE 78.A N THR 74.A O no hydrogen 2.982 N/A ASN 79.A N ALA 75.A O no hydrogen 2.881 N/A ILE 80.A N GLU 76.A O no hydrogen 2.899 N/A ALA 81.A N ALA 77.A O no hydrogen 2.965 N/A THR 82.A N ILE 78.A O no hydrogen 2.915 N/A THR 82.A OG1 ILE 78.A O no hydrogen 2.778 N/A THR 83.A N ASN 79.A O no hydrogen 2.958 N/A THR 83.A OG1 ASN 79.A O no hydrogen 3.274 N/A PHE 84.A N ILE 80.A O no hydrogen 2.931 N/A LEU 85.A N ALA 81.A O no hydrogen 2.839 N/A LYS 86.A N THR 82.A O no hydrogen 3.055 N/A LYS 86.A NZ GLY 61.A O no hydrogen 2.718 N/A SER 87.A N THR 83.A O no hydrogen 3.196 N/A SER 87.A OG PHE 84.A O no hydrogen 2.493 N/A GLU 88.A N PHE 84.A O no hydrogen 3.197 N/A GLU 88.A N LEU 85.A O no hydrogen 3.144 N/A GLY 89.A N LYS 86.A O no hydrogen 2.982 N/A ILE 90.A N LEU 85.A O no hydrogen 2.811 N/A VAL 95.A N ASN 45.A OD1 no hydrogen 3.159 N/A LYS 96.A N GLU 40.A O no hydrogen 2.743 N/A ILE 98.A N TRP 48.A O no hydrogen 2.920 N/A GLU 99.A N THR 36.A O no hydrogen 2.809 N/A GLU 101.A N TYR 34.A O no hydrogen 2.909 N/A LEU 102.A N THR 100.A OG1 no hydrogen 2.807 N/A ASP 104.A N ALA 108.A O no hydrogen 2.735 N/A SER 106.A N ASP 104.A OD2 no hydrogen 2.944 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 2.917 N/A GLY 107.A N ASP 104.A O no hydrogen 2.802 N/A TYR 110.A N LEU 102.A O no hydrogen 3.068 N/A TYR 110.A OH ASP 104.A OD1 no hydrogen 3.231 N/A SER 115.A OG HIS 145.A NE2 no hydrogen 2.736 N/A ALA 117.A N GLY 113.A O no hydrogen 2.870 N/A ALA 118.A N SER 114.A O no hydrogen 3.085 N/A THR 119.A N SER 115.A O no hydrogen 3.066 N/A THR 119.A OG1 SER 115.A O no hydrogen 2.815 N/A VAL 120.A N ALA 116.A O no hydrogen 2.862 N/A ALA 121.A N ALA 117.A O no hydrogen 2.915 N/A VAL 122.A N ALA 118.A O no hydrogen 3.042 N/A ILE 123.A N THR 119.A O no hydrogen 3.058 N/A ASN 124.A N VAL 120.A O no hydrogen 2.915 N/A ALA 125.A N ALA 121.A O no hydrogen 2.855 N/A LEU 126.A N VAL 122.A O no hydrogen 2.962 N/A THR 127.A OG1 ASN 124.A O no hydrogen 2.761 N/A LYS 128.A N ALA 125.A O no hydrogen 3.157 N/A LYS 128.A NZ ASP 41.A OD1 no hydrogen 2.691 N/A LYS 128.A NZ ASP 41.A OD2 no hydrogen 3.425 N/A PHE 129.A N LEU 126.A O no hydrogen 2.828 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.954 N/A ILE 133.A N TYR 130.A O no hydrogen 3.198 N/A LYS 136.A N SER 134.A OG no hydrogen 3.133 N/A LYS 137.A N SER 134.A O no hydrogen 3.162 N/A LYS 137.A NZ ASN 124.A OD1 no hydrogen 2.707 N/A LYS 139.A N LEU 135.A O no hydrogen 3.098 N/A LYS 139.A NZ PHE 187.A O no hydrogen 3.477 N/A LYS 139.A NZ GLU 189.A O no hydrogen 2.821 N/A LEU 140.A N LYS 136.A O no hydrogen 3.035 N/A ALA 141.A N LYS 137.A O no hydrogen 2.954 N/A ALA 142.A N PHE 138.A O no hydrogen 2.673 N/A LEU 143.A N LYS 139.A O no hydrogen 2.964 N/A SER 144.A N LEU 140.A O no hydrogen 3.022 N/A HIS 145.A N ALA 141.A O no hydrogen 2.967 N/A HIS 145.A NE2 SER 115.A OG no hydrogen 2.736 N/A LEU 146.A N ALA 142.A O no hydrogen 2.920 N/A VAL 147.A N LEU 143.A O no hydrogen 3.291 N/A VAL 148.A N SER 144.A O no hydrogen 3.345 N/A GLN 149.A N HIS 145.A O no hydrogen 2.825 N/A GLN 149.A NE2 ASN 151.A OD1 no hydrogen 3.251 N/A GLY 150.A N LEU 146.A O no hydrogen 2.764 N/A CYS 154.A SG ALA 142.A O no hydrogen 3.526 N/A GLY 155.A N SER 153.A OG no hydrogen 3.073 N/A ILE 157.A N ASP 156.A OD1 no hydrogen 2.683 N/A ALA 158.A N CYS 154.A O no hydrogen 3.037 N/A SER 159.A N GLY 155.A O no hydrogen 3.007 N/A CYS 160.A N ASP 156.A O no hydrogen 3.064 N/A CYS 160.A SG PRO 8.A O no hydrogen 3.402 N/A CYS 160.A SG ASP 156.A O no hydrogen 3.272 N/A GLY 162.A N SER 159.A O no hydrogen 2.873 N/A GLY 163.A N GLY 340.A O no hydrogen 2.934 N/A TRP 164.A NE1 THR 339.A OG1 no hydrogen 3.085 N/A ILE 165.A N LEU 28.A O no hydrogen 2.858 N/A ALA 166.A N GLU 196.A O no hydrogen 2.846 N/A TYR 167.A N ALA 26.A O no hydrogen 2.669 N/A TYR 167.A OH SER 153.A O no hydrogen 2.752 N/A THR 168.A N GLN 194.A O no hydrogen 2.791 N/A THR 168.A OG1 THR 25.A OG1 no hydrogen 2.657 N/A THR 169.A N HIS 24.A O no hydrogen 2.948 N/A THR 169.A OG1 VAL 19.A O no hydrogen 2.433 N/A THR 169.A OG1 HIS 24.A O no hydrogen 3.415 N/A ASP 171.A N PRO 192.A O no hydrogen 2.899 N/A GLN 172.A N SER 22.A OG no hydrogen 3.050 N/A GLN 172.A NE2 VAL 20.A O no hydrogen 3.290 N/A GLN 172.A NE2 GLY 152.A O no hydrogen 2.987 N/A TRP 174.A N ASP 171.A OD1 no hydrogen 3.023 N/A VAL 175.A N ASP 171.A O no hydrogen 3.075 N/A LYS 176.A N GLN 172.A O no hydrogen 2.967 N/A HIS 177.A N GLU 173.A O no hydrogen 3.065 N/A LEU 179.A N VAL 175.A O no hydrogen 3.053 N/A LEU 179.A N LYS 176.A O no hydrogen 3.233 N/A ALA 180.A N HIS 177.A O no hydrogen 3.405 N/A TYR 181.A N ARG 178.A O no hydrogen 3.080 N/A LYS 182.A N ARG 178.A O no hydrogen 2.764 N/A TRP 186.A N SER 183.A OG no hydrogen 3.048 N/A PHE 187.A N SER 183.A O no hydrogen 3.218 N/A GLU 189.A N TRP 186.A O no hydrogen 2.933 N/A TRP 191.A NE1 PHE 187.A O no hydrogen 2.995 N/A GLN 194.A N THR 168.A O no hydrogen 3.163 N/A GLU 196.A N ALA 166.A O no hydrogen 2.943 N/A LEU 198.A N TRP 164.A O no hydrogen 2.729 N/A THR 204.A N SER 314.A O no hydrogen 3.239 N/A SER 206.A N ALA 312.A O no hydrogen 2.771 N/A GLY 208.A N GLY 310.A O no hydrogen 3.011 N/A TRP 209.A N LYS 333.A O no hydrogen 2.792 N/A THR 210.A N ASP 308.A O no hydrogen 2.950 N/A THR 210.A OG1 ASP 308.A O no hydrogen 2.732 N/A THR 212.A OG1 THR 210.A O no hydrogen 3.345 N/A LYS 218.A N SER 215.A O no hydrogen 3.070 N/A VAL 220.A N THR 216.A O no hydrogen 2.906 N/A SER 221.A N GLY 217.A O no hydrogen 2.838 N/A SER 221.A OG GLY 217.A O no hydrogen 3.097 N/A SER 221.A OG LYS 218.A O no hydrogen 2.912 N/A GLN 222.A N LYS 218.A O no hydrogen 3.080 N/A ILE 223.A N LEU 219.A O no hydrogen 3.005 N/A HIS 224.A N VAL 220.A O no hydrogen 2.893 N/A ALA 225.A N SER 221.A O no hydrogen 3.061 N/A PHE 226.A N GLN 222.A O no hydrogen 2.900 N/A LYS 227.A N ILE 223.A O no hydrogen 2.891 N/A LYS 227.A NZ GLU 21.A OE1 no hydrogen 3.383 N/A LYS 227.A NZ GLU 21.A OE2 no hydrogen 3.000 N/A GLN 228.A N ALA 225.A O no hydrogen 2.907 N/A GLU 229.A N ALA 225.A O no hydrogen 2.760 N/A ASN 233.A N ASP 230.A OD1 no hydrogen 2.763 N/A TYR 234.A N ASP 230.A O no hydrogen 3.132 N/A TYR 234.A OH GLU 21.A OE2 no hydrogen 2.724 N/A GLN 235.A N SER 231.A O no hydrogen 2.869 N/A GLN 235.A NE2 GLN 235.A O no hydrogen 3.092 N/A GLN 235.A NE2 THR 239.A OG1 no hydrogen 3.226 N/A HIS 236.A N LYS 232.A O no hydrogen 3.018 N/A PHE 237.A N ASN 233.A O no hydrogen 2.988 N/A LEU 238.A N TYR 234.A O no hydrogen 3.007 N/A THR 239.A N GLN 235.A O no hydrogen 2.879 N/A THR 239.A OG1 GLN 235.A O no hydrogen 2.876 N/A ARG 240.A N HIS 236.A O no hydrogen 2.883 N/A ASN 241.A N PHE 237.A O no hydrogen 2.696 N/A ASN 242.A N LEU 238.A O no hydrogen 2.783 N/A ASN 242.A ND2 HIS 24.A NE2 no hydrogen 3.367 N/A GLU 243.A N THR 239.A O no hydrogen 3.196 N/A ILE 244.A N ARG 240.A O no hydrogen 3.181 N/A GLN 246.A N GLU 243.A O no hydrogen 3.229 N/A GLN 246.A NE2 GLU 243.A O no hydrogen 3.633 N/A ILE 247.A N ILE 244.A O no hydrogen 2.852 N/A GLN 249.A N LYS 245.A O no hydrogen 3.064 N/A ALA 250.A N GLN 246.A O no hydrogen 2.786 N/A PHE 251.A N ILE 247.A O no hydrogen 2.934 N/A HIS 252.A N ILE 248.A O no hydrogen 2.916 N/A HIS 252.A NE2 GLU 196.A OE2 no hydrogen 2.703 N/A THR 253.A N GLN 249.A O no hydrogen 2.775 N/A THR 253.A OG1 GLN 249.A O no hydrogen 2.846 N/A LYS 254.A N PHE 251.A O no hydrogen 3.258 N/A LYS 254.A NZ GLU 199.A OE1 no hydrogen 3.139 N/A ASP 255.A N ALA 250.A O no hydrogen 2.838 N/A LEU 258.A N ASP 255.A OD1 no hydrogen 2.766 N/A LEU 259.A N ASP 255.A O no hydrogen 2.998 N/A LEU 259.A N GLU 256.A O no hydrogen 3.044 N/A TYR 260.A N GLU 256.A O no hydrogen 3.091 N/A SER 261.A N GLU 257.A O no hydrogen 3.173 N/A SER 261.A OG GLU 257.A O no hydrogen 3.054 N/A SER 261.A OG LEU 258.A O no hydrogen 3.324 N/A SER 262.A N LEU 258.A O no hydrogen 3.182 N/A SER 262.A OG LEU 258.A O no hydrogen 2.512 N/A ILE 263.A N LEU 259.A O no hydrogen 2.994 N/A LYS 264.A N TYR 260.A O no hydrogen 3.041 N/A GLU 265.A N SER 261.A O no hydrogen 2.998 N/A ASN 266.A N SER 262.A O no hydrogen 2.818 N/A ARG 267.A N ILE 263.A O no hydrogen 2.795 N/A ARG 267.A NE GLU 282.A OE1 no hydrogen 2.902 N/A ARG 267.A NH1 ASP 291.A OD1 no hydrogen 2.913 N/A ARG 267.A NH1 GLU 294.A OE2 no hydrogen 2.624 N/A ARG 267.A NH2 GLU 282.A OE2 no hydrogen 2.999 N/A ARG 267.A NH2 ASP 291.A OD1 no hydrogen 2.840 N/A ARG 268.A N LYS 264.A O no hydrogen 2.975 N/A ARG 268.A NH1 LYS 264.A O no hydrogen 2.679 N/A ARG 268.A NH1 GLU 294.A OE2 no hydrogen 3.326 N/A ARG 268.A NH2 GLU 294.A OE1 no hydrogen 3.117 N/A ILE 269.A N GLU 265.A O no hydrogen 3.034 N/A LEU 270.A N ASN 266.A O no hydrogen 3.129 N/A GLN 271.A N ARG 267.A O no hydrogen 2.978 N/A GLN 271.A NE2 GLU 282.A OE2 no hydrogen 2.628 N/A GLU 272.A N ARG 268.A O no hydrogen 2.868 N/A LEU 273.A N ILE 269.A O no hydrogen 2.880 N/A GLY 274.A N LEU 270.A O no hydrogen 2.951 N/A THR 275.A N GLN 271.A O no hydrogen 2.952 N/A THR 275.A OG1 GLN 271.A O no hydrogen 3.040 N/A LYS 276.A N GLU 272.A O no hydrogen 2.828 N/A ALA 277.A N LEU 273.A O no hydrogen 2.907 N/A GLY 278.A N THR 275.A O no hydrogen 3.171 N/A VAL 279.A N GLY 274.A O no hydrogen 2.646 N/A ILE 281.A N VAL 279.A O no hydrogen 2.833 N/A LEU 286.A N THR 283.A OG1 no hydrogen 3.137 N/A LYS 287.A N THR 283.A O no hydrogen 2.848 N/A LYS 287.A NZ ASP 291.A OD2 no hydrogen 2.727 N/A GLU 288.A N SER 284.A O no hydrogen 3.092 N/A LEU 289.A N LEU 285.A O no hydrogen 2.899 N/A ALA 290.A N LEU 286.A O no hydrogen 2.913 N/A ASP 291.A N LYS 287.A O no hydrogen 2.761 N/A SER 292.A N GLU 288.A O no hydrogen 3.036 N/A SER 292.A OG GLU 288.A O no hydrogen 2.696 N/A SER 292.A OG LEU 289.A O no hydrogen 2.733 N/A ALA 293.A N LEU 289.A O no hydrogen 3.228 N/A GLU 294.A N ALA 290.A O no hydrogen 2.926 N/A ASN 295.A N ASP 291.A O no hydrogen 2.734 N/A GLY 297.A N ALA 293.A O no hydrogen 3.065 N/A ALA 298.A N PHE 313.A O no hydrogen 3.144 N/A LYS 300.A N ILE 311.A O no hydrogen 2.956 N/A LYS 300.A NZ VAL 13.A O no hydrogen 2.965 N/A LYS 300.A NZ GLU 16.A OE1 no hydrogen 2.688 N/A LYS 300.A NZ GLU 16.A OE2 no hydrogen 2.744 N/A LYS 300.A NZ SER 301.A O no hydrogen 2.914 N/A SER 302.A N CYS 309.A O no hydrogen 2.939 N/A SER 302.A OG TYR 12.A O no hydrogen 2.595 N/A GLY 303.A N GLU 16.A OE2 no hydrogen 2.698 N/A SER 304.A OG GLY 305.A O no hydrogen 3.031 N/A GLY 306.A N ILE 281.A O no hydrogen 2.553 N/A ASP 308.A N THR 212.A O no hydrogen 2.758 N/A CYS 309.A SG TYR 110.A O no hydrogen 3.486 N/A GLY 310.A N GLY 208.A O no hydrogen 2.851 N/A ILE 311.A N LYS 300.A O no hydrogen 2.794 N/A ALA 312.A N SER 206.A O no hydrogen 2.953 N/A PHE 313.A N ALA 298.A O no hydrogen 2.909 N/A SER 314.A N THR 204.A O no hydrogen 2.988 N/A LEU 319.A N THR 316.A OG1 no hydrogen 3.014 N/A ALA 320.A N THR 316.A O no hydrogen 2.946 N/A GLU 321.A N LYS 317.A O no hydrogen 2.817 N/A LYS 322.A N GLU 318.A O no hydrogen 3.087 N/A LEU 323.A N LEU 319.A O no hydrogen 2.919 N/A VAL 324.A N ALA 320.A O no hydrogen 2.839 N/A ASN 325.A N GLU 321.A O no hydrogen 2.946 N/A GLU 326.A N LYS 322.A O no hydrogen 3.136 N/A TRP 327.A N LEU 323.A O no hydrogen 2.950 N/A TRP 327.A NE1 LEU 289.A O no hydrogen 3.080 N/A GLU 328.A N VAL 324.A O no hydrogen 2.917 N/A LYS 329.A N ASN 325.A O no hydrogen 3.273 N/A LYS 329.A NZ GLU 326.A OE1 no hydrogen 3.096 N/A LYS 329.A NZ GLU 326.A OE2 no hydrogen 2.747 N/A LEU 330.A N TRP 327.A O no hydrogen 2.847 N/A GLY 331.A N GLU 328.A O no hydrogen 3.087 N/A ILE 332.A N TRP 327.A O no hydrogen 3.263 N/A LYS 333.A N TRP 209.A O no hydrogen 2.923 N/A LEU 335.A N VAL 207.A O no hydrogen 2.937 N/A HIS 338.A N ASN 32.A OD1 no hydrogen 3.198 N/A THR 339.A OG1 GLU 200.A OE1 no hydrogen 2.664 N/A GLY 340.A N ALA 30.A O no hydrogen 3.084 N/A ARG 341.A N TYR 34.A OH no hydrogen 2.998 N/A GLN 343.A N LYS 6.A O no hydrogen 3.097 N/A THR 345.A N GLN 4.A O no hydrogen 2.973 N/A