Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jxp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 188.A OD2 no hydrogen 2.956 N/A MET 2.A N LEU 303.A O no hydrogen 3.422 N/A TYR 3.A N SER 46.A O no hydrogen 2.896 N/A ILE 4.A N ILE 301.A O no hydrogen 2.998 N/A GLN 5.A N ALA 44.A O no hydrogen 2.975 N/A GLN 5.A NE2 GLY 298.A O no hydrogen 3.358 N/A VAL 6.A N MET 299.A O no hydrogen 2.777 N/A LEU 7.A N SER 42.A O no hydrogen 2.881 N/A GLY 8.A N SER 42.A O no hydrogen 3.097 N/A SER 9.A N ASP 297.A OD1 no hydrogen 2.929 N/A SER 9.A OG ASP 297.A OD1 no hydrogen 2.794 N/A ALA 10.A N THR 39.A O no hydrogen 2.989 N/A ALA 11.A N ILE 270.A O no hydrogen 2.993 N/A GLY 13.A N GLN 40.A OE1 no hydrogen 3.082 N/A GLY 14.A N ALA 11.A O no hydrogen 2.997 N/A PHE 15.A N ARG 38.A O no hydrogen 2.795 N/A GLN 17.A NE2 ASN 19.A OD1 no hydrogen 3.044 N/A CYS 20.A N GLN 17.A O no hydrogen 3.012 N/A CYS 20.A SG ASN 272.A OD1 no hydrogen 3.439 N/A CYS 22.A SG ASN 272.A O no hydrogen 3.905 N/A CYS 22.A SG ASN 272.A OD1 no hydrogen 3.619 N/A ASN 24.A ND2 ASN 272.A O no hydrogen 2.891 N/A ASN 24.A ND2 ASN 274.A O no hydrogen 2.875 N/A CYS 25.A SG ASN 272.A OD1 no hydrogen 3.540 N/A LYS 26.A N CYS 22.A O no hydrogen 2.883 N/A GLY 27.A N VAL 23.A O no hydrogen 3.064 N/A TYR 28.A N ASN 24.A O no hydrogen 2.815 N/A ARG 29.A N CYS 25.A O no hydrogen 2.960 N/A ARG 29.A NH1 CYS 20.A O no hydrogen 2.973 N/A ARG 29.A NH2 CYS 20.A O no hydrogen 2.654 N/A ASP 30.A N LYS 26.A O no hydrogen 2.762 N/A GLY 31.A N TYR 28.A O no hydrogen 3.355 N/A THR 32.A N GLY 27.A O no hydrogen 3.174 N/A LEU 33.A N GLY 27.A O no hydrogen 3.279 N/A THR 36.A OG1 GLU 279.A OE2 no hydrogen 3.373 N/A ARG 38.A N PHE 15.A O no hydrogen 2.791 N/A ARG 38.A NE ALA 295.A O no hydrogen 3.058 N/A ARG 38.A NH1 ALA 295.A O no hydrogen 2.714 N/A ARG 38.A NH2 THR 36.A O no hydrogen 3.010 N/A THR 39.A N ASP 297.A OD2 no hydrogen 2.737 N/A THR 39.A OG1 ASP 297.A OD2 no hydrogen 2.700 N/A GLN 40.A N ASP 60.A OD2 no hydrogen 2.738 N/A GLN 40.A NE2 ASP 60.A OD2 no hydrogen 2.915 N/A SER 41.A N ALA 10.A O no hydrogen 2.745 N/A SER 42.A N GLY 8.A O no hydrogen 3.015 N/A SER 42.A OG CYS 55.A O no hydrogen 3.523 N/A SER 42.A OG ASN 56.A O no hydrogen 2.907 N/A ILE 43.A N CYS 55.A O no hydrogen 3.362 N/A ALA 44.A N GLN 5.A O no hydrogen 2.904 N/A LEU 45.A N ILE 53.A O no hydrogen 2.770 N/A SER 46.A N TYR 3.A O no hydrogen 2.994 N/A SER 46.A OG HIS 51.A O no hydrogen 2.410 N/A GLY 49.A N SER 46.A OG no hydrogen 2.834 N/A VAL 50.A N ASP 48.A OD1 no hydrogen 2.944 N/A HIS 51.A N ASP 48.A OD1 no hydrogen 2.947 N/A HIS 51.A ND1 ASP 48.A OD2 no hydrogen 2.698 N/A TRP 52.A N GLY 81.A O no hydrogen 3.161 N/A ILE 53.A N LEU 45.A O no hydrogen 2.772 N/A LEU 54.A N ALA 84.A O no hydrogen 2.939 N/A CYS 55.A N ILE 43.A O no hydrogen 2.764 N/A ASN 56.A N VAL 86.A O no hydrogen 2.836 N/A ALA 57.A N HIS 94.A O no hydrogen 2.904 N/A SER 58.A OG GLN 40.A O no hydrogen 3.357 N/A SER 58.A OG GLN 64.A OE1 no hydrogen 2.846 N/A ASP 60.A N SER 58.A OG no hydrogen 3.116 N/A ILE 61.A N SER 58.A O no hydrogen 3.253 N/A GLN 64.A N ASP 60.A O no hydrogen 3.075 N/A GLN 64.A NE2 THR 39.A OG1 no hydrogen 2.740 N/A GLN 64.A NE2 GLN 40.A O no hydrogen 2.800 N/A LEU 65.A N ILE 61.A O no hydrogen 2.942 N/A GLN 66.A N ARG 62.A O no hydrogen 3.149 N/A ALA 67.A N ALA 63.A O no hydrogen 3.155 N/A PHE 68.A N LEU 65.A O no hydrogen 3.009 N/A MET 71.A N PHE 68.A O no hydrogen 2.923 N/A GLN 72.A N ALA 69.A O no hydrogen 2.744 N/A GLN 72.A NE2 ASP 79.A O no hydrogen 2.949 N/A ALA 74.A N GLN 72.A OE1 no hydrogen 3.136 N/A ARG 75.A N ASP 79.A OD2 no hydrogen 2.957 N/A ARG 75.A NE ASP 79.A OD1 no hydrogen 3.446 N/A ARG 75.A NE ASP 79.A OD2 no hydrogen 2.760 N/A ARG 75.A NH1 ASP 79.A OD1 no hydrogen 2.800 N/A THR 80.A N ASP 79.A OD1 no hydrogen 2.851 N/A GLY 81.A N MET 71.A O no hydrogen 2.923 N/A ILE 82.A N THR 80.A OG1 no hydrogen 3.201 N/A ASN 83.A N TRP 52.A O no hydrogen 2.767 N/A ILE 85.A N GLN 108.A O no hydrogen 3.100 N/A VAL 86.A N LEU 54.A O no hydrogen 2.764 N/A LEU 87.A N TRP 110.A O no hydrogen 2.929 N/A LEU 88.A N ASN 56.A OD1 no hydrogen 3.228 N/A SER 90.A OG ASP 118.A OD2 no hydrogen 2.569 N/A GLN 91.A N ASP 89.A OD1 no hydrogen 2.966 N/A HIS 94.A N GLN 91.A O no hydrogen 3.043 N/A HIS 94.A ND1 ASP 89.A OD1 no hydrogen 2.744 N/A HIS 94.A ND1 ASP 89.A OD2 no hydrogen 2.845 N/A THR 95.A N ILE 92.A O no hydrogen 3.331 N/A THR 95.A OG1 GLN 91.A O no hydrogen 2.870 N/A THR 96.A N ILE 92.A O no hydrogen 3.089 N/A THR 96.A OG1 ILE 92.A O no hydrogen 2.845 N/A GLY 97.A N ALA 57.A O no hydrogen 2.800 N/A LEU 98.A N THR 95.A O no hydrogen 3.084 N/A LEU 99.A N THR 96.A O no hydrogen 3.132 N/A SER 100.A N GLY 97.A O no hydrogen 3.048 N/A LEU 101.A N LEU 98.A O no hydrogen 3.177 N/A ARG 102.A NH2 LEU 99.A O no hydrogen 2.591 N/A GLY 104.A N LEU 101.A O no hydrogen 2.896 N/A CYS 105.A N ARG 102.A O no hydrogen 3.491 N/A CYS 105.A SG ARG 102.A O no hydrogen 3.579 N/A HIS 107.A N GLY 135.A O no hydrogen 3.209 N/A HIS 107.A NE2 LEU 101.A O no hydrogen 2.918 N/A VAL 109.A N GLN 137.A O no hydrogen 2.899 N/A TRP 110.A N ILE 85.A O no hydrogen 2.761 N/A CYS 111.A N ASN 139.A O no hydrogen 3.079 N/A CYS 111.A SG THR 112.A O no hydrogen 3.697 N/A THR 112.A OG1 GLY 179.A O no hydrogen 2.529 N/A VAL 115.A N THR 112.A OG1 no hydrogen 3.294 N/A HIS 116.A N THR 112.A O no hydrogen 2.956 N/A GLN 117.A N ASP 113.A O no hydrogen 3.014 N/A GLN 117.A NE2 ASP 113.A OD2.A no hydrogen 2.885 N/A ASP 118.A N MET 114.A O no hydrogen 3.155 N/A LEU 119.A N VAL 115.A O no hydrogen 2.894 N/A THR 120.A N GLN 117.A O no hydrogen 3.267 N/A THR 120.A OG1 HIS 116.A O no hydrogen 2.817 N/A THR 120.A OG1 GLN 117.A O no hydrogen 3.366 N/A THR 121.A N ASP 118.A O no hydrogen 3.323 N/A THR 121.A OG1 GLN 117.A O no hydrogen 2.693 N/A GLY 122.A N THR 121.A OG1 no hydrogen 2.726 N/A PHE 123.A N ASP 118.A O no hydrogen 3.177 N/A LEU 125.A N PHE 123.A O no hydrogen 2.776 N/A PHE 126.A N LEU 119.A O no hydrogen 3.225 N/A ASN 127.A ND2 THR 120.A O no hydrogen 3.230 N/A MET 128.A N PRO 124.A O no hydrogen 2.922 N/A LEU 129.A N LEU 125.A O no hydrogen 2.899 N/A SER 130.A N PHE 126.A O no hydrogen 3.079 N/A SER 130.A OG ASN 127.A O no hydrogen 2.708 N/A HIS 131.A N MET 128.A O no hydrogen 3.424 N/A TRP 132.A N LEU 129.A O no hydrogen 2.721 N/A ASN 133.A ND2 CYS 105.A O no hydrogen 3.409 N/A GLY 135.A N TRP 132.A O no hydrogen 2.739 N/A GLN 137.A N HIS 107.A O no hydrogen 2.725 N/A TRP 138.A NE1 CYS 111.A O no hydrogen 2.900 N/A ASN 139.A N VAL 109.A O no hydrogen 2.747 N/A ASN 139.A ND2 GLN 108.A OE1 no hydrogen 3.138 N/A ASN 139.A ND2 VAL 109.A O no hydrogen 3.689 N/A ARG 140.A NE ASP 113.A OD1.B no hydrogen 2.465 N/A ARG 140.A NE ASP 113.A OD2.B no hydrogen 3.366 N/A ILE 141.A N CYS 111.A O no hydrogen 2.938 N/A SER 146.A OG PHE 157.A O no hydrogen 3.482 N/A SER 146.A OG THR 158.A OG1 no hydrogen 2.547 N/A PHE 147.A N PHE 157.A O no hydrogen 2.957 N/A CYS 152.A N ILE 149.A O no hydrogen 2.936 N/A CYS 152.A SG ASP 47.A OD1 no hydrogen 3.479 N/A CYS 152.A SG HIS 51.A O no hydrogen 3.363 N/A ASN 154.A N ASP 47.A OD2 no hydrogen 3.100 N/A LEU 155.A N CYS 152.A O no hydrogen 2.999 N/A LYS 156.A N GLU 187.A O no hydrogen 2.834 N/A PHE 157.A N PHE 147.A O no hydrogen 2.828 N/A THR 158.A N MET 185.A O no hydrogen 2.699 N/A THR 158.A OG1 SER 146.A OG no hydrogen 2.547 N/A PHE 160.A N GLY 183.A O no hydrogen 2.876 N/A LEU 162.A N ASN 181.A O no hydrogen 3.046 N/A TYR 169.A OH SER 90.A O no hydrogen 2.611 N/A SER 170.A N PRO 167.A O no hydrogen 2.898 N/A SER 170.A OG ASP 118.A OD1 no hydrogen 2.545 N/A SER 170.A OG ASP 118.A OD2 no hydrogen 3.341 N/A HIS 172.A N SER 170.A OG no hydrogen 3.166 N/A HIS 172.A NE2 ASP 180.A OD1 no hydrogen 2.499 N/A ARG 173.A N SER 170.A O no hydrogen 2.998 N/A ARG 173.A NH2.A PRO 168.A O no hydrogen 2.478 N/A ASP 175.A N HIS 172.A O no hydrogen 3.068 N/A HIS 177.A N ASP 180.A OD2 no hydrogen 3.038 N/A ASP 180.A N HIS 177.A O no hydrogen 3.218 N/A ASN 181.A ND2.A GLY 200.A O no hydrogen 3.450 N/A LEU 182.A N LEU 88.A O no hydrogen 2.965 N/A GLY 183.A N PHE 160.A O no hydrogen 2.909 N/A LEU 184.A N TYR 197.A O no hydrogen 2.825 N/A MET 185.A N THR 158.A O no hydrogen 2.779 N/A VAL 186.A N LEU 195.A O no hydrogen 2.812 N/A GLU 187.A N LYS 156.A O no hydrogen 2.938 N/A ASP 188.A N GLY 193.A O no hydrogen 2.758 N/A THR 189.A N ASN 154.A O no hydrogen 2.818 N/A THR 189.A OG1 ASN 154.A O no hydrogen 3.308 N/A ARG 190.A N ASP 188.A OD1 no hydrogen 2.915 N/A ARG 190.A NE ASP 188.A OD1 no hydrogen 3.187 N/A ARG 190.A NH1 ASP 47.A O no hydrogen 3.189 N/A ARG 190.A NH2 ASP 47.A O no hydrogen 2.844 N/A ARG 190.A NH2 ASP 188.A OD2 no hydrogen 3.541 N/A THR 191.A N ASP 188.A O no hydrogen 3.196 N/A GLY 192.A N ASP 188.A O no hydrogen 2.827 N/A GLY 193.A N THR 191.A OG1 no hydrogen 2.991 N/A LYS 194.A N ASP 216.A OD2 no hydrogen 3.007 N/A LEU 195.A N VAL 186.A O no hydrogen 2.725 N/A PHE 196.A N CYS 217.A O no hydrogen 2.972 N/A TYR 197.A N LEU 184.A O no hydrogen 2.760 N/A ALA 198.A N LEU 219.A O no hydrogen 2.815 N/A LEU 201.A N ASP 221.A OD2 no hydrogen 3.440 N/A LEU 209.A N ASP 205.A O no hydrogen 3.249 N/A ALA 210.A N GLU 206.A O no hydrogen 3.287 N/A MET 211.A N LYS 207.A O no hydrogen 3.064 N/A MET 212.A N LEU 208.A O no hydrogen 2.934 N/A HIS 213.A N LEU 209.A O no hydrogen 2.948 N/A HIS 213.A NE2 GLY 259.A O no hydrogen 2.891 N/A GLY 214.A N MET 211.A O no hydrogen 2.967 N/A ALA 215.A N MET 212.A O no hydrogen 3.164 N/A ASP 216.A N LYS 194.A O no hydrogen 2.902 N/A CYS 217.A N LYS 194.A O no hydrogen 3.363 N/A CYS 217.A SG ARG 264.A O no hydrogen 3.952 N/A LEU 218.A N ARG 264.A O no hydrogen 2.707 N/A LEU 219.A N PHE 196.A O no hydrogen 2.879 N/A VAL 220.A N VAL 266.A O no hydrogen 2.976 N/A ASP 221.A N ALA 198.A O no hydrogen 2.864 N/A GLY 222.A N ILE 268.A O no hydrogen 2.871 N/A THR 223.A N ASP 221.A OD1 no hydrogen 2.529 N/A THR 223.A OG1 ASP 221.A OD1 no hydrogen 2.402 N/A THR 223.A OG1 ASP 221.A OD2 no hydrogen 3.039 N/A THR 223.A OG1 HIS 269.A ND1 no hydrogen 2.757 N/A THR 223.A OG1 HIS 269.A O no hydrogen 3.060 N/A TRP 225.A N GLU 229.A OE1 no hydrogen 2.797 N/A GLU 229.A N GLU 226.A O no hydrogen 3.045 N/A ARG 232.A N ASP 228.A O no hydrogen 3.042 N/A ARG 232.A NH1 ASP 228.A OD1 no hydrogen 2.741 N/A ARG 232.A NH2 ASP 228.A OD1 no hydrogen 3.015 N/A ARG 233.A N GLU 229.A O no hydrogen 3.084 N/A ARG 233.A NE THR 273.A O no hydrogen 2.849 N/A ARG 233.A NH1 THR 273.A O no hydrogen 3.097 N/A GLY 234.A N MET 230.A O no hydrogen 3.168 N/A VAL 235.A N MET 230.A O no hydrogen 3.080 N/A GLY 240.A N ASP 227.A O no hydrogen 2.803 N/A ARG 241.A N ASP 227.A OD1 no hydrogen 2.636 N/A HIS 244.A N GLY 240.A O no hydrogen 2.810 N/A LEU 245.A N LEU 201.A O no hydrogen 2.881 N/A GLN 247.A N LEU 224.A O no hydrogen 2.826 N/A ASN 248.A N TRP 225.A O no hydrogen 2.928 N/A ASN 248.A ND2 GLU 226.A OE2 no hydrogen 2.924 N/A GLY 249.A N ASN 248.A OD1 no hydrogen 2.684 N/A GLY 251.A N GLU 255.A OE1 no hydrogen 2.823 N/A GLY 252.A N GLY 249.A O no hydrogen 2.977 N/A THR 253.A N ALA 246.A O no hydrogen 3.163 N/A LEU 254.A N GLN 247.A O no hydrogen 3.143 N/A VAL 256.A N GLY 252.A O no hydrogen 2.961 N/A LEU 257.A N THR 253.A O no hydrogen 2.731 N/A ASP 258.A N LEU 254.A O no hydrogen 3.123 N/A ASP 258.A N GLU 255.A O no hydrogen 3.342 N/A GLY 259.A N VAL 256.A O no hydrogen 3.283 N/A PHE 260.A N LEU 257.A O no hydrogen 2.921 N/A ARG 262.A NH1 ASP 216.A OD1 no hydrogen 3.155 N/A ARG 262.A NH2 HIS 213.A O no hydrogen 3.382 N/A ARG 262.A NH2 ALA 215.A O no hydrogen 3.320 N/A GLN 263.A N GLN 263.A OE1 no hydrogen 2.897 N/A GLN 263.A NE2 ALA 215.A O no hydrogen 2.818 N/A ARG 264.A N ASP 216.A O no hydrogen 3.007 N/A ARG 264.A NE GLU 293.A OE1 no hydrogen 2.727 N/A ARG 264.A NH2 GLU 293.A OE2 no hydrogen 2.812 N/A LYS 265.A NZ PHE 260.A O no hydrogen 2.801 N/A LYS 265.A NZ GLN 263.A O no hydrogen 2.798 N/A VAL 266.A N LEU 218.A O no hydrogen 2.776 N/A LEU 267.A N GLU 293.A O no hydrogen 2.772 N/A ILE 268.A N VAL 220.A O no hydrogen 3.044 N/A HIS 269.A N SER 9.A O no hydrogen 2.854 N/A HIS 269.A ND1 THR 223.A OG1 no hydrogen 2.757 N/A ILE 270.A N SER 9.A O no hydrogen 2.996 N/A ASN 271.A N THR 223.A O no hydrogen 2.952 N/A ASN 271.A ND2 THR 273.A OG1 no hydrogen 2.922 N/A THR 273.A OG1 GLU 229.A OE2 no hydrogen 2.655 N/A ASN 274.A N ASN 271.A O no hydrogen 2.957 N/A ASN 274.A ND2 GLY 222.A O no hydrogen 2.919 N/A ASN 274.A ND2 THR 223.A O no hydrogen 3.092 N/A ASN 274.A ND2 GLN 247.A OE1 no hydrogen 2.872 N/A ILE 276.A N ASN 274.A OD1 no hydrogen 3.111 N/A LEU 277.A N ASN 274.A O no hydrogen 3.019 N/A ASP 278.A N PRO 275.A O no hydrogen 3.014 N/A GLU 279.A N LYS 34.A O no hydrogen 2.907 N/A ASN 280.A N ASP 278.A OD1 no hydrogen 2.937 N/A SER 281.A N ASP 278.A O no hydrogen 3.030 N/A SER 281.A OG PRO 275.A O no hydrogen 2.847 N/A SER 281.A OG ASP 278.A O no hydrogen 3.120 N/A SER 281.A OG GLU 283.A OE1 no hydrogen 3.530 N/A GLU 283.A N GLU 283.A OE1 no hydrogen 2.683 N/A ARG 284.A N SER 281.A OG no hydrogen 2.918 N/A ARG 284.A NE ILE 276.A O no hydrogen 2.811 N/A ARG 284.A NH2 ILE 276.A O no hydrogen 2.963 N/A ALA 285.A N SER 281.A O no hydrogen 3.192 N/A GLU 286.A N PRO 282.A O no hydrogen 2.862 N/A VAL 287.A N GLU 283.A O no hydrogen 3.167 N/A LEU 288.A N ARG 284.A O no hydrogen 3.084 N/A ARG 289.A N ALA 285.A O no hydrogen 3.080 N/A ARG 289.A NH2 GLU 286.A OE2 no hydrogen 3.339 N/A ARG 290.A N GLU 286.A O no hydrogen 3.189 N/A ARG 290.A NE GLU 286.A OE2 no hydrogen 2.654 N/A ARG 290.A NH1 GLU 286.A OE2 no hydrogen 3.067 N/A GLY 291.A N LEU 288.A O no hydrogen 3.138 N/A VAL 292.A N VAL 287.A O no hydrogen 2.929 N/A GLU 293.A N LYS 265.A O no hydrogen 2.871 N/A ALA 295.A N LEU 267.A O no hydrogen 2.858 N/A GLY 298.A N VAL 6.A O no hydrogen 2.778 N/A MET 299.A N PHE 296.A O no hydrogen 3.028 N/A SER 300.A OG GLN 5.A OE1 no hydrogen 2.678 N/A ILE 301.A N ILE 4.A O no hydrogen 2.773 N/A LEU 303.A N MET 2.A O no hydrogen 3.164 N/A