Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ LYS 32.A O no hydrogen 3.114 N/A LEU 3.A N ARG 34.A O no hydrogen 3.222 N/A ARG 4.A N ASP 99.A OD2 no hydrogen 2.722 N/A ARG 4.A NE THR 97.A O no hydrogen 3.039 N/A ARG 4.A NH2 PRO 96.A O no hydrogen 3.332 N/A VAL 5.A N ASP 36.A O no hydrogen 2.825 N/A GLY 6.A N VAL 100.A O no hydrogen 2.824 N/A ILE 7.A N.A VAL 38.A O no hydrogen 3.135 N/A ILE 7.A N.B VAL 38.A O no hydrogen 3.157 N/A VAL 8.A N PHE 102.A O no hydrogen 2.955 N/A PHE 9.A N LEU 40.A O no hydrogen 3.291 N/A GLY 10.A N SER 19.A OG no hydrogen 2.896 N/A GLY 11.A N ILE 42.A O no hydrogen 2.823 N/A SER 13.A OG HIS 106.A O no hydrogen 2.807 N/A GLU 15.A N SER 13.A OG no hydrogen 3.066 N/A HIS 16.A N SER 13.A O no hydrogen 3.108 N/A HIS 16.A ND1 GLY 11.A O no hydrogen 2.813 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.809 N/A SER 19.A N GLU 15.A O no hydrogen 2.793 N/A SER 19.A OG ILE 104.A O no hydrogen 2.675 N/A LEU 20.A N HIS 16.A O no hydrogen 2.886 N/A GLN 21.A N GLU 17.A O no hydrogen 3.274 N/A GLN 21.A NE2 GLU 17.A O no hydrogen 2.697 N/A GLN 21.A NE2 TYR 252.A O no hydrogen 3.237 N/A SER 22.A N VAL 18.A O no hydrogen 2.864 N/A SER 22.A OG VAL 18.A O no hydrogen 3.433 N/A ALA 23.A N SER 19.A O no hydrogen 2.919 N/A LYS 24.A N LEU 20.A O no hydrogen 2.942 N/A LYS 24.A NZ ALA 60.A O no hydrogen 3.240 N/A ASN 25.A N GLN 21.A O no hydrogen 3.167 N/A ILE 26.A N SER 22.A O no hydrogen 3.018 N/A VAL 27.A N ALA 23.A O no hydrogen 2.913 N/A ASP 28.A N LYS 24.A O no hydrogen 3.151 N/A ALA 29.A N ASN 25.A O no hydrogen 2.912 N/A ILE 30.A N ILE 26.A O no hydrogen 2.870 N/A LYS 32.A NZ VAL 27.A O no hydrogen 3.516 N/A THR 33.A N ASP 31.A OD1 no hydrogen 2.681 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.844 N/A THR 33.A OG1 ASP 31.A OD2 no hydrogen 3.209 N/A ARG 34.A N ASP 31.A O no hydrogen 3.267 N/A ARG 34.A NH1 GLU 338.A OE2 no hydrogen 3.385 N/A ARG 34.A NH2 GLU 338.A OE2 no hydrogen 2.879 N/A PHE 35.A N ASP 31.A O no hydrogen 3.007 N/A ASP 36.A N LEU 3.A O no hydrogen 3.002 N/A VAL 38.A N VAL 5.A O no hydrogen 2.868 N/A LEU 40.A N ILE 7.A O.A no hydrogen 2.947 N/A LEU 40.A N ILE 7.A O.B no hydrogen 3.049 N/A ILE 42.A N PHE 9.A O no hydrogen 2.750 N/A ASP 43.A N GLN 47.A O no hydrogen 2.942 N/A LYS 44.A NZ GLU 17.A OE2 no hydrogen 2.989 N/A ALA 45.A N ASP 43.A OD1 no hydrogen 2.741 N/A GLY 46.A N ASP 43.A O no hydrogen 2.881 N/A GLN 47.A N ASP 43.A OD1 no hydrogen 3.062 N/A HIS 49.A N GLY 41.A O no hydrogen 2.910 N/A HIS 49.A ND1 ILE 73.A O no hydrogen 2.984 N/A HIS 49.A NE2 ASP 43.A OD2 no hydrogen 2.784 N/A ASN 51.A N LEU 39.A O no hydrogen 2.872 N/A ASN 55.A N ASP 52.A O no hydrogen 3.327 N/A GLN 58.A N ALA 67.A O no hydrogen 2.859 N/A ASP 62.A N ASN 59.A O no hydrogen 3.118 N/A ALA 64.A N ASP 62.A OD1 no hydrogen 3.379 N/A HIS 65.A N ASP 62.A O no hydrogen 2.976 N/A ILE 66.A N ASP 62.A O no hydrogen 2.899 N/A ALA 67.A N GLN 58.A O no hydrogen 2.977 N/A ARG 69.A N TYR 56.A O no hydrogen 2.744 N/A ARG 69.A NE ASN 55.A O no hydrogen 3.500 N/A SER 71.A OG VAL 50.A O no hydrogen 3.422 N/A LEU 75.A N TRP 48.A O no hydrogen 3.017 N/A ALA 76.A N ILE 87.A O no hydrogen 2.819 N/A VAL 78.A N GLN 85.A O no hydrogen 2.749 N/A GLY 80.A N VAL 120.A O no hydrogen 3.107 N/A LYS 81.A N VAL 78.A O no hydrogen 3.467 N/A HIS 84.A N THR 97.A OG1 no hydrogen 2.822 N/A GLN 85.A N GLN 85.A OE1 no hydrogen 2.710 N/A GLN 85.A NE2 ALA 121.A O no hydrogen 3.069 N/A GLN 85.A NE2 ASN 122.A O no hydrogen 3.405 N/A ILE 87.A N ALA 76.A O no hydrogen 2.915 N/A ASN 88.A N GLN 93.A O no hydrogen 2.676 N/A ALA 89.A N SER 74.A O no hydrogen 2.818 N/A GLN 90.A N ASN 88.A OD1 no hydrogen 2.931 N/A GLY 92.A N ASN 88.A O no hydrogen 2.809 N/A GLN 93.A N ASN 91.A OD1 no hydrogen 2.905 N/A LEU 95.A N LEU 86.A O no hydrogen 3.067 N/A ASP 99.A N ARG 4.A O no hydrogen 2.910 N/A VAL 100.A N ARG 4.A O no hydrogen 3.393 N/A ILE 101.A N PRO 124.A O no hydrogen 2.775 N/A PHE 102.A N GLY 6.A O no hydrogen 2.684 N/A ILE 104.A N VAL 8.A O no hydrogen 2.764 N/A GLY 107.A N GLU 111.A OE1 no hydrogen 2.907 N/A LEU 109.A N ASP 112.A OD2 no hydrogen 2.650 N/A GLY 110.A N THR 108.A O no hydrogen 2.760 N/A GLU 111.A N GLY 107.A O no hydrogen 2.693 N/A SER 114.A N ASP 112.A OD1 no hydrogen 3.101 N/A SER 114.A OG ASP 112.A OD1 no hydrogen 2.734 N/A LEU 115.A N LEU 109.A O no hydrogen 3.033 N/A GLN 116.A NE2 GLY 110.A O no hydrogen 2.955 N/A GLY 117.A N GLY 113.A O no hydrogen 2.997 N/A ARG 119.A N GLN 116.A O no hydrogen 2.859 N/A ARG 119.A NH2 ASP 129.A OD2 no hydrogen 2.613 N/A VAL 120.A N GLY 117.A O no hydrogen 2.880 N/A ASN 122.A N ARG 119.A O no hydrogen 3.105 N/A ASN 122.A ND2 LYS 81.A O no hydrogen 2.746 N/A LEU 123.A N LEU 118.A O no hydrogen 3.047 N/A VAL 126.A N ILE 101.A O no hydrogen 2.882 N/A SER 128.A OG ALA 288.A O no hydrogen 3.248 N/A VAL 130.A N ASP 129.A OD2 no hydrogen 2.681 N/A SER 132.A OG LEU 285.A O no hydrogen 2.801 N/A SER 133.A N ASP 129.A O no hydrogen 2.960 N/A SER 133.A OG SER 128.A O no hydrogen 3.337 N/A SER 133.A OG ASP 129.A O no hydrogen 2.760 N/A ALA 134.A N VAL 130.A O no hydrogen 2.983 N/A ALA 135.A N LEU 131.A O no hydrogen 2.819 N/A CYS 136.A N SER 132.A O no hydrogen 2.902 N/A CYS 136.A SG SER 132.A O no hydrogen 3.375 N/A LYS 138.A N ALA 184.A O no hydrogen 2.855 N/A VAL 140.A N ASP 137.A OD1 no hydrogen 3.050 N/A ALA 141.A N ASP 137.A O no hydrogen 2.932 N/A LYS 142.A N LYS 138.A O no hydrogen 3.017 N/A LYS 142.A NZ ALA 153.A O no hydrogen 3.236 N/A LYS 142.A NZ GLU 218.A OE2 no hydrogen 3.145 N/A ARG 143.A N ASP 139.A O no hydrogen 3.064 N/A ARG 143.A NE ASP 139.A OD1 no hydrogen 3.442 N/A ARG 143.A NE ASP 139.A OD2 no hydrogen 3.373 N/A ARG 143.A NH2 ASP 139.A OD2 no hydrogen 2.794 N/A LEU 144.A N VAL 140.A O no hydrogen 3.057 N/A LEU 145.A N ALA 141.A O no hydrogen 2.840 N/A ARG 146.A N LYS 142.A O no hydrogen 2.792 N/A ASP 147.A N ARG 143.A O no hydrogen 2.906 N/A ALA 148.A N LEU 144.A O no hydrogen 3.013 N/A ALA 148.A N LEU 145.A O no hydrogen 3.022 N/A GLY 149.A N ARG 146.A O no hydrogen 2.954 N/A LEU 150.A N LEU 145.A O no hydrogen 3.126 N/A ILE 156.A N VAL 217.A O no hydrogen 2.875 N/A THR 157.A OG1 ASP 139.A OD1 no hydrogen 2.614 N/A LEU 158.A N VAL 215.A O no hydrogen 2.839 N/A THR 159.A OG1 THR 161.A OG1 no hydrogen 3.383 N/A ARG 160.A NH2 PHE 209.A O no hydrogen 2.746 N/A THR 161.A N THR 159.A OG1 no hydrogen 3.229 N/A THR 161.A OG1 THR 159.A OG1 no hydrogen 3.383 N/A ASN 162.A N THR 159.A OG1 no hydrogen 3.050 N/A ASN 162.A ND2 THR 159.A O no hydrogen 3.480 N/A ALA 165.A N ASN 162.A O no hydrogen 3.259 N/A GLU 170.A N SER 167.A OG no hydrogen 3.006 N/A VAL 171.A N SER 167.A O no hydrogen 3.114 N/A GLU 172.A N PHE 168.A O no hydrogen 3.029 N/A SER 173.A N ALA 169.A O no hydrogen 2.912 N/A SER 173.A OG GLU 170.A O no hydrogen 2.732 N/A ARG 174.A N GLU 170.A O no hydrogen 3.045 N/A ARG 174.A N VAL 171.A O no hydrogen 3.132 N/A LEU 175.A N VAL 171.A O no hydrogen 2.941 N/A GLY 176.A N GLU 172.A O no hydrogen 2.827 N/A LEU 179.A N VAL 195.A O no hydrogen 2.973 N/A PHE 180.A N GLU 218.A O no hydrogen 2.897 N/A VAL 181.A N SER 193.A O no hydrogen 2.869 N/A LYS 182.A N VAL 216.A O no hydrogen 2.868 N/A LYS 182.A NZ GLU 218.A OE1 no hydrogen 2.841 N/A ALA 184.A N LYS 214.A O no hydrogen 2.956 N/A ASN 185.A N ASP 212.A OD2 no hydrogen 2.578 N/A GLN 186.A NE2 GLY 187.A O no hydrogen 3.543 N/A SER 188.A OG GLY 187.A O no hydrogen 2.960 N/A VAL 190.A N GLY 187.A O no hydrogen 3.469 N/A VAL 192.A N SER 189.A O no hydrogen 3.067 N/A SER 193.A N VAL 181.A O no hydrogen 2.850 N/A VAL 195.A N LEU 179.A O no hydrogen 2.661 N/A ALA 196.A N GLN 200.A OE1 no hydrogen 2.738 N/A GLN 200.A N ASN 197.A OD1 no hydrogen 3.048 N/A TYR 201.A N ASN 197.A O no hydrogen 3.033 N/A GLN 202.A N GLU 198.A O no hydrogen 3.042 N/A GLN 203.A N ALA 199.A O no hydrogen 3.097 N/A ALA 204.A N GLN 200.A O no hydrogen 2.646 N/A VAL 205.A N TYR 201.A O no hydrogen 2.964 N/A ALA 206.A N GLN 202.A O no hydrogen 3.258 N/A LEU 207.A N GLN 203.A O no hydrogen 3.061 N/A ALA 208.A N ALA 204.A O no hydrogen 3.128 N/A PHE 209.A N VAL 205.A O no hydrogen 2.921 N/A GLU 210.A N LEU 207.A O no hydrogen 2.697 N/A PHE 211.A N ALA 208.A O no hydrogen 3.097 N/A HIS 213.A N ASP 212.A OD1 no hydrogen 2.789 N/A LYS 214.A NZ ASP 137.A OD1 no hydrogen 3.274 N/A LYS 214.A NZ ASP 137.A OD2 no hydrogen 2.839 N/A LYS 214.A NZ ASP 139.A OD2 no hydrogen 2.759 N/A VAL 215.A N LEU 158.A O no hydrogen 2.976 N/A VAL 216.A N LYS 182.A O no hydrogen 2.588 N/A VAL 217.A N ILE 156.A O no hydrogen 2.913 N/A GLU 218.A N PHE 180.A O no hydrogen 2.879 N/A GLN 219.A N PRO 154.A O no hydrogen 2.824 N/A GLN 219.A NE2 LEU 175.A O no hydrogen 3.203 N/A GLY 220.A N PRO 178.A O no hydrogen 3.069 N/A ARG 224.A N LEU 296.A O no hydrogen 2.935 N/A ARG 224.A NE GLU 243.A OE2 no hydrogen 3.164 N/A ARG 224.A NH2 GLU 243.A OE1 no hydrogen 2.831 N/A ARG 224.A NH2 GLN 265.A O no hydrogen 3.086 N/A ILE 226.A N VAL 294.A O no hydrogen 2.992 N/A GLU 227.A N GLY 242.A O no hydrogen 2.793 N/A CYS 228.A N VAL 292.A O no hydrogen 2.934 N/A CYS 228.A SG SER 239.A O no hydrogen 3.428 N/A ALA 229.A N SER 239.A OG no hydrogen 2.905 N/A VAL 230.A N ALA 290.A O no hydrogen 2.813 N/A LEU 231.A N GLN 237.A O no hydrogen 2.862 N/A GLY 232.A N GLY 289.A O no hydrogen 2.913 N/A ASN 233.A ND2 LEU 339.A O no hydrogen 2.977 N/A GLN 237.A N LEU 231.A O no hydrogen 2.751 N/A SER 239.A N ALA 229.A O no hydrogen 2.803 N/A SER 239.A OG ALA 229.A O no hydrogen 3.229 N/A SER 239.A OG THR 240.A O no hydrogen 2.876 N/A THR 240.A N SER 325.A OG no hydrogen 2.832 N/A CYS 241.A N ASN 271.A OD1 no hydrogen 2.902 N/A CYS 241.A SG ASN 271.A O no hydrogen 3.760 N/A GLY 242.A N GLU 227.A O no hydrogen 2.921 N/A GLU 243.A N VAL 261.A O no hydrogen 2.851 N/A ILE 244.A N GLU 225.A O no hydrogen 2.979 N/A VAL 245.A N GLN 259.A O no hydrogen 2.923 N/A GLU 249.A N ASN 247.A OD1 no hydrogen 2.938 N/A ASN 256.A N ILE 253.A O no hydrogen 2.829 N/A GLY 257.A N ASP 254.A O no hydrogen 3.315 N/A ALA 258.A N ASP 255.A O no hydrogen 3.202 N/A VAL 261.A N GLU 243.A O no hydrogen 2.960 N/A ALA 264.A N CYS 241.A O no hydrogen 2.796 N/A ILE 266.A N ALA 264.A O no hydrogen 2.792 N/A ASN 271.A N PRO 267.A O no hydrogen 2.914 N/A ASN 271.A ND2 THR 240.A OG1 no hydrogen 3.053 N/A ASP 272.A N SER 268.A O no hydrogen 2.862 N/A LYS 273.A N GLU 269.A O no hydrogen 3.038 N/A LYS 273.A NZ ASN 300.A O no hydrogen 3.038 N/A ILE 274.A N VAL 270.A O no hydrogen 2.874 N/A ARG 275.A N ASN 271.A O no hydrogen 2.895 N/A ARG 275.A NE ALA 238.A O no hydrogen 3.166 N/A ARG 275.A NE SER 239.A O no hydrogen 3.069 N/A ARG 275.A NH1 ASP 272.A OD1 no hydrogen 2.933 N/A ARG 275.A NH2 ALA 238.A O no hydrogen 2.927 N/A ALA 276.A N ASP 272.A O no hydrogen 2.980 N/A ILE 277.A N LYS 273.A O no hydrogen 3.202 N/A ALA 278.A N ILE 274.A O no hydrogen 2.832 N/A ILE 279.A N ARG 275.A O no hydrogen 3.121 N/A GLN 280.A N ALA 276.A O no hydrogen 3.143 N/A ALA 281.A N ILE 277.A O no hydrogen 2.953 N/A TYR 282.A N ALA 278.A O no hydrogen 2.970 N/A TYR 282.A OH GLY 232.A O no hydrogen 2.728 N/A GLN 283.A N ILE 279.A O no hydrogen 2.917 N/A THR 284.A N GLN 280.A O no hydrogen 2.909 N/A THR 284.A OG1 GLN 280.A O no hydrogen 2.777 N/A LEU 285.A N ALA 281.A O no hydrogen 2.998 N/A GLY 286.A N GLN 283.A O no hydrogen 3.189 N/A CYS 287.A N TYR 282.A O no hydrogen 3.245 N/A CYS 287.A SG SER 132.A OG no hydrogen 3.618 N/A CYS 287.A SG TYR 282.A O no hydrogen 3.883 N/A ALA 288.A N SER 128.A OG no hydrogen 3.048 N/A GLY 289.A N GLY 232.A O no hydrogen 2.801 N/A ALA 290.A N VAL 230.A O no hydrogen 3.113 N/A ARG 291.A N ASN 308.A O no hydrogen 2.867 N/A ARG 291.A NE ASP 293.A OD1 no hydrogen 2.955 N/A ARG 291.A NH2 ASP 293.A OD2 no hydrogen 3.159 N/A VAL 292.A N CYS 228.A O no hydrogen 2.967 N/A ASP 293.A N GLU 306.A O no hydrogen 2.871 N/A VAL 294.A N ILE 226.A O no hydrogen 2.754 N/A PHE 295.A N VAL 303.A O no hydrogen 2.741 N/A LEU 296.A N ARG 224.A O no hydrogen 2.724 N/A THR 297.A N GLU 301.A O no hydrogen 2.951 N/A THR 297.A OG1 ASP 299.A OD1 no hydrogen 3.209 N/A THR 297.A OG1 GLU 301.A O no hydrogen 3.523 N/A ASN 300.A N THR 297.A O no hydrogen 2.988 N/A GLU 301.A N THR 297.A OG1 no hydrogen 3.098 N/A VAL 303.A N PHE 295.A O no hydrogen 2.914 N/A ILE 304.A N ASN 151.A O no hydrogen 2.921 N/A ASN 305.A N ASP 293.A O no hydrogen 2.845 N/A GLU 306.A N ASP 293.A O no hydrogen 3.184 N/A ASN 308.A N ARG 291.A O no hydrogen 2.853 N/A LEU 310.A N GLU 111.A OE2 no hydrogen 2.729 N/A PHE 313.A N SER 22.A OG no hydrogen 2.839 N/A THR 314.A N SER 317.A OG no hydrogen 2.808 N/A THR 314.A OG1 SER 317.A OG no hydrogen 2.648 N/A ASN 315.A N ASN 25.A OD1 no hydrogen 2.680 N/A ILE 316.A N THR 314.A OG1 no hydrogen 3.259 N/A SER 317.A N THR 314.A O no hydrogen 3.014 N/A SER 317.A OG ASP 254.A OD2 no hydrogen 2.661 N/A SER 317.A OG THR 314.A OG1 no hydrogen 2.648 N/A TYR 318.A OH VAL 230.A O no hydrogen 2.713 N/A LYS 320.A N SER 317.A O no hydrogen 3.100 N/A LYS 320.A NZ TYR 329.A OH.A no hydrogen 2.988 N/A TRP 322.A N TYR 318.A O no hydrogen 3.404 N/A GLN 323.A N PRO 319.A O no hydrogen 2.985 N/A ALA 324.A N LYS 320.A O no hydrogen 3.031 N/A SER 325.A N TRP 322.A O no hydrogen 2.767 N/A SER 325.A OG LEU 321.A O no hydrogen 2.835 N/A LEU 327.A N TRP 322.A O no hydrogen 2.844 N/A TYR 329.A OH.A ASN 315.A O no hydrogen 2.251 N/A TYR 329.A OH.B PHE 313.A O no hydrogen 2.352 N/A THR 330.A OG1 ALA 29.A O no hydrogen 2.785 N/A LEU 332.A N GLY 328.A O no hydrogen 2.815 N/A ILE 333.A N TYR 329.A O.A no hydrogen 2.885 N/A ILE 333.A N TYR 329.A O.B no hydrogen 3.169 N/A SER 334.A N THR 330.A O no hydrogen 3.062 N/A SER 334.A OG THR 330.A O no hydrogen 3.409 N/A ARG 335.A N ASP 331.A O no hydrogen 2.818 N/A ARG 335.A NH1 GLU 338.A OE1 no hydrogen 2.920 N/A LEU 336.A N LEU 332.A O no hydrogen 2.928 N/A ILE 337.A N ILE 333.A O no hydrogen 3.058 N/A GLU 338.A N SER 334.A O no hydrogen 2.875 N/A LEU 339.A N ARG 335.A O no hydrogen 2.976 N/A ALA 340.A N LEU 336.A O no hydrogen 3.048 N/A LEU 341.A N ILE 337.A O no hydrogen 3.056 N/A GLU 342.A N GLU 338.A O no hydrogen 3.009 N/A ARG 343.A N LEU 339.A O no hydrogen 2.981 N/A ARG 343.A NH1 ASP 129.A OD1 no hydrogen 2.710 N/A ARG 343.A NH2 ASP 129.A OD1 no hydrogen 2.711 N/A HIS 344.A N ALA 340.A O no hydrogen 3.023 N/A THR 345.A N LEU 341.A O no hydrogen 2.977 N/A THR 345.A OG1 LEU 341.A O no hydrogen 2.963 N/A ALA 346.A N GLU 342.A O no hydrogen 2.906 N/A ASN 347.A N ARG 343.A O no hydrogen 2.969 N/A ASN 348.A N HIS 344.A O no hydrogen 2.843 N/A ALA 349.A N THR 345.A O no hydrogen 3.129 N/A LEU 350.A N ASN 347.A O no hydrogen 3.183 N/A