Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w4j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 29.A O no hydrogen 2.838 N/A ARG 2.A N ASP 176.A OD1 no hydrogen 2.641 N/A VAL 3.A N ASP 31.A O no hydrogen 2.648 N/A VAL 4.A N VAL 177.A O no hydrogen 3.138 N/A VAL 5.A N LYS 33.A O no hydrogen 2.784 N/A ILE 6.A N VAL 179.A O no hydrogen 2.712 N/A GLY 7.A N TYR 35.A O no hydrogen 2.585 N/A VAL 10.A N THR 45.A OG1 no hydrogen 3.015 N/A LEU 13.A N GLY 9.A O no hydrogen 3.140 N/A SER 14.A N VAL 10.A O no hydrogen 2.948 N/A SER 14.A OG VAL 10.A O no hydrogen 2.715 N/A SER 14.A OG ILE 11.A O no hydrogen 3.228 N/A THR 15.A N ILE 11.A O no hydrogen 2.961 N/A THR 15.A OG1 ILE 11.A O no hydrogen 2.441 N/A ALA 16.A N GLY 12.A O no hydrogen 2.493 N/A LEU 17.A N LEU 13.A O no hydrogen 3.182 N/A CYS 18.A N SER 14.A O no hydrogen 2.921 N/A ILE 19.A N THR 15.A O no hydrogen 3.059 N/A ILE 19.A N ALA 16.A O no hydrogen 3.278 N/A HIS 20.A N ALA 16.A O no hydrogen 3.008 N/A GLU 21.A N LEU 17.A O no hydrogen 3.004 N/A ARG 22.A N ILE 19.A O no hydrogen 3.297 N/A ARG 22.A NE TYR 23.A OH no hydrogen 3.439 N/A TYR 23.A N ILE 19.A O no hydrogen 3.014 N/A TYR 23.A N HIS 20.A O no hydrogen 3.172 N/A TYR 23.A OH ALA 327.A O no hydrogen 3.392 N/A LEU 30.A N GLN 28.A O no hydrogen 2.658 N/A ASP 31.A N MET 1.A O no hydrogen 3.042 N/A LYS 33.A N VAL 3.A O no hydrogen 3.180 N/A VAL 34.A N LYS 158.A O no hydrogen 2.847 N/A TYR 35.A N VAL 5.A O no hydrogen 2.904 N/A TYR 35.A OH GLU 173.A OE1 no hydrogen 2.998 N/A ALA 36.A N PHE 160.A O no hydrogen 3.164 N/A THR 40.A OG1 ASP 46.A OD2 no hydrogen 3.530 N/A LEU 42.A N PHE 39.A O no hydrogen 2.795 N/A THR 43.A N ASP 46.A OD1 no hydrogen 2.774 N/A THR 43.A OG1 ASP 46.A OD1 no hydrogen 2.715 N/A ASP 46.A N THR 43.A O no hydrogen 2.875 N/A VAL 47.A N THR 44.A O no hydrogen 2.871 N/A ALA 48.A N THR 44.A O no hydrogen 3.377 N/A TRP 52.A N LEU 137.A O no hydrogen 2.925 N/A GLN 53.A N THR 317.A OG1 no hydrogen 2.790 N/A GLN 53.A NE2 ASN 96.A OD1 no hydrogen 3.127 N/A GLN 63.A N ASN 61.A OD1 no hydrogen 3.152 N/A GLN 63.A NE2 ASN 61.A OD1 no hydrogen 2.967 N/A GLU 64.A N ASN 61.A O no hydrogen 2.888 N/A TRP 67.A N GLN 63.A O no hydrogen 3.186 N/A SER 68.A N GLU 64.A O no hydrogen 2.911 N/A SER 68.A OG GLU 64.A O no hydrogen 3.552 N/A GLN 69.A N ALA 65.A O no hydrogen 3.009 N/A GLN 70.A N ASP 66.A O no hydrogen 2.634 N/A THR 71.A N TRP 67.A O no hydrogen 2.930 N/A THR 71.A OG1 TRP 67.A O no hydrogen 2.788 N/A PHE 72.A N SER 68.A O no hydrogen 2.998 N/A ASP 73.A N GLN 69.A O no hydrogen 3.116 N/A TYR 74.A N GLN 70.A O no hydrogen 3.121 N/A LEU 75.A N THR 71.A O no hydrogen 2.866 N/A LEU 76.A N PHE 72.A O no hydrogen 2.766 N/A SER 77.A N ASP 73.A O no hydrogen 2.893 N/A SER 77.A N TYR 74.A O no hydrogen 3.056 N/A SER 77.A OG ASP 73.A O no hydrogen 3.454 N/A SER 77.A OG TYR 74.A O no hydrogen 2.613 N/A HIS 78.A N LEU 75.A O no hydrogen 2.986 N/A SER 81.A N HIS 78.A O no hydrogen 3.077 N/A SER 81.A OG ASN 83.A OD1 no hydrogen 2.942 N/A ASN 83.A N SER 81.A OG no hydrogen 3.389 N/A GLY 88.A N ALA 84.A O no hydrogen 2.590 N/A GLY 88.A N GLU 85.A O no hydrogen 2.780 N/A LEU 89.A N ALA 84.A O no hydrogen 2.955 N/A PHE 90.A N ILE 138.A O no hydrogen 2.888 N/A ILE 92.A N SER 136.A O no hydrogen 2.898 N/A SER 93.A OG THR 135.A OG1 no hydrogen 2.552 N/A GLY 94.A N HIS 134.A O no hydrogen 3.366 N/A TYR 95.A N PHE 213.A O no hydrogen 2.767 N/A ASN 96.A N TRP 132.A O no hydrogen 3.105 N/A ASN 96.A ND2 GLN 53.A OE1 no hydrogen 3.338 N/A LEU 97.A N LEU 215.A O no hydrogen 3.012 N/A PHE 98.A N TYR 130.A O no hydrogen 2.779 N/A SER 106.A OG ASP 58.A OD2 no hydrogen 2.747 N/A TRP 107.A NE1 TYR 55.A O no hydrogen 3.299 N/A THR 110.A N TRP 107.A O no hydrogen 2.484 N/A VAL 111.A N TRP 107.A O no hydrogen 3.324 N/A LEU 112.A N THR 135.A O no hydrogen 3.070 N/A ARG 115.A NH1 GLU 121.A OE1 no hydrogen 2.602 N/A ARG 115.A NH1 GLU 121.A OE2 no hydrogen 3.007 N/A ARG 115.A NH2 LYS 116.A O no hydrogen 2.723 N/A ARG 115.A NH2 GLU 121.A OE2 no hydrogen 2.724 N/A LYS 116.A NZ ASP 104.A OD1 no hydrogen 2.842 N/A LYS 116.A NZ ASP 104.A OD2 no hydrogen 3.019 N/A LEU 117.A N GLY 131.A O no hydrogen 2.794 N/A THR 118.A N GLU 121.A OE2 no hydrogen 3.270 N/A THR 118.A OG1 GLU 121.A OE2 no hydrogen 3.081 N/A LEU 122.A N THR 118.A O no hydrogen 3.223 N/A ASP 123.A N PRO 119.A O no hydrogen 3.138 N/A ASP 123.A N ARG 120.A O no hydrogen 2.953 N/A PHE 125.A N LEU 122.A O no hydrogen 2.586 N/A TYR 128.A N PHE 125.A O no hydrogen 2.812 N/A GLY 129.A N PHE 98.A O no hydrogen 2.878 N/A TYR 130.A N PHE 98.A O no hydrogen 2.976 N/A TRP 132.A N ASN 96.A O no hydrogen 2.985 N/A PHE 133.A N ARG 115.A O no hydrogen 3.127 N/A HIS 134.A N GLY 94.A O no hydrogen 3.323 N/A THR 135.A N LEU 112.A O no hydrogen 2.696 N/A THR 135.A OG1 SER 93.A OG no hydrogen 2.552 N/A SER 136.A N ILE 92.A O no hydrogen 2.592 N/A SER 136.A OG TRP 52.A O no hydrogen 3.060 N/A LEU 137.A N SER 136.A OG no hydrogen 2.610 N/A ILE 138.A N PHE 90.A O no hydrogen 2.865 N/A LEU 139.A N GLY 50.A O no hydrogen 2.850 N/A GLU 140.A N GLY 88.A O no hydrogen 3.112 N/A TYR 144.A N GLU 140.A O no hydrogen 2.934 N/A LEU 145.A N GLY 141.A O no hydrogen 2.804 N/A GLN 146.A N LYS 142.A O no hydrogen 3.104 N/A GLN 146.A NE2 GLU 150.A OE1 no hydrogen 3.457 N/A TRP 147.A N ASN 143.A O no hydrogen 2.693 N/A LEU 148.A N TYR 144.A O no hydrogen 2.743 N/A THR 149.A N LEU 145.A O no hydrogen 2.926 N/A THR 149.A OG1 LEU 145.A O no hydrogen 2.597 N/A GLU 150.A N GLN 146.A O no hydrogen 3.057 N/A ARG 151.A N TRP 147.A O no hydrogen 3.102 N/A ARG 151.A NE GLU 154.A OE2 no hydrogen 3.086 N/A ARG 151.A NH1 GLU 154.A OE1 no hydrogen 3.187 N/A ARG 151.A NH1 GLU 154.A OE2 no hydrogen 2.716 N/A LEU 152.A N LEU 148.A O no hydrogen 2.862 N/A THR 153.A N THR 149.A O no hydrogen 2.940 N/A THR 153.A OG1 THR 149.A O no hydrogen 3.114 N/A GLU 154.A N GLU 150.A O no hydrogen 3.271 N/A ARG 155.A N ARG 151.A O no hydrogen 3.271 N/A ARG 155.A NH2 HIS 20.A ND1 no hydrogen 2.723 N/A GLY 156.A N THR 153.A O no hydrogen 2.445 N/A VAL 157.A N LEU 152.A O no hydrogen 2.963 N/A LYS 158.A N ILE 32.A O no hydrogen 3.271 N/A PHE 160.A N VAL 34.A O no hydrogen 2.710 N/A ARG 162.A N ALA 36.A O no hydrogen 2.992 N/A ARG 162.A NH1 GLU 173.A OE2 no hydrogen 3.511 N/A GLU 165.A N GLU 169.A OE2 no hydrogen 2.595 N/A SER 166.A N GLU 169.A OE2 no hydrogen 3.214 N/A GLU 169.A N SER 166.A OG no hydrogen 2.982 N/A ALA 171.A N PHE 167.A O no hydrogen 2.876 N/A ARG 172.A N GLU 168.A O no hydrogen 2.612 N/A GLU 173.A N GLU 169.A O no hydrogen 2.970 N/A GLY 174.A N ALA 171.A O no hydrogen 3.210 N/A ASP 176.A N ARG 2.A O no hydrogen 2.961 N/A ILE 178.A N GLU 304.A O no hydrogen 2.656 N/A VAL 179.A N VAL 4.A O no hydrogen 2.908 N/A ASN 180.A N ILE 306.A O no hydrogen 2.563 N/A CYS 181.A N ILE 6.A O no hydrogen 2.805 N/A CYS 181.A SG ASN 308.A O no hydrogen 4.035 N/A THR 182.A OG1 ASN 180.A OD1 no hydrogen 2.962 N/A ALA 186.A N GLY 183.A O no hydrogen 3.196 N/A LEU 189.A N ALA 186.A O no hydrogen 2.981 N/A GLN 190.A NE2 GLU 294.A OE1 no hydrogen 2.637 N/A LEU 194.A N ASP 192.A OD1 no hydrogen 2.891 N/A GLN 196.A N VAL 285.A O no hydrogen 2.797 N/A GLY 198.A N ARG 283.A O no hydrogen 2.892 N/A ARG 199.A N GLN 243.A O no hydrogen 3.169 N/A GLY 200.A N GLY 281.A O no hydrogen 2.903 N/A ILE 202.A N ARG 279.A O no hydrogen 2.886 N/A MET 203.A N LEU 238.A O no hydrogen 2.771 N/A LYS 204.A N GLY 277.A O no hydrogen 2.928 N/A VAL 205.A N VAL 236.A O no hydrogen 2.739 N/A ASP 206.A N ARG 274.A O no hydrogen 2.807 N/A MET 210.A N ALA 207.A O no hydrogen 3.226 N/A LYS 211.A NZ PRO 208.A O no hydrogen 2.715 N/A PHE 213.A N SER 93.A O no hydrogen 2.933 N/A ILE 214.A N ILE 229.A O no hydrogen 2.809 N/A LEU 215.A N TYR 95.A O no hydrogen 2.787 N/A THR 216.A N PRO 227.A O no hydrogen 2.691 N/A THR 216.A OG1 TYR 128.A OH no hydrogen 3.377 N/A THR 216.A OG1 SER 226.A OG no hydrogen 2.331 N/A THR 216.A OG1 PRO 227.A O no hydrogen 2.851 N/A HIS 217.A N LEU 97.A O no hydrogen 2.894 N/A HIS 217.A NE2 ASN 96.A OD1 no hydrogen 2.998 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.790 N/A ARG 221.A N ASP 218.A O no hydrogen 3.248 N/A ARG 221.A NH1 ASP 218.A OD2 no hydrogen 2.296 N/A GLY 222.A N ASP 218.A O no hydrogen 2.573 N/A ASN 225.A N GLY 222.A O no hydrogen 2.812 N/A ASN 225.A ND2 ARG 221.A O no hydrogen 3.220 N/A ASN 225.A ND2 PHE 242.A O no hydrogen 2.586 N/A SER 226.A OG THR 216.A O no hydrogen 2.814 N/A SER 226.A OG THR 216.A OG1 no hydrogen 2.331 N/A TYR 228.A N GLY 239.A O no hydrogen 2.950 N/A ILE 229.A N ILE 214.A O no hydrogen 2.793 N/A ILE 230.A N THR 237.A O no hydrogen 2.683 N/A GLY 232.A N THR 235.A O no hydrogen 2.453 N/A THR 233.A N GLU 140.A OE2 no hydrogen 2.930 N/A THR 235.A OG1 VAL 205.A O no hydrogen 2.941 N/A VAL 236.A N VAL 205.A O no hydrogen 2.730 N/A THR 237.A N ILE 230.A O no hydrogen 2.682 N/A LEU 238.A N MET 203.A O no hydrogen 2.657 N/A GLY 239.A N TYR 228.A O no hydrogen 2.947 N/A PHE 242.A N ASN 225.A OD1 no hydrogen 3.289 N/A GLN 243.A N ARG 199.A O no hydrogen 3.140 N/A GLY 245.A N PRO 197.A O no hydrogen 3.012 N/A ASN 246.A N GLN 243.A O no hydrogen 3.411 N/A SER 248.A N ASN 246.A OD1 no hydrogen 2.839 N/A ASN 251.A ND2 GLU 278.A O no hydrogen 2.898 N/A HIS 256.A N ASN 252.A O no hydrogen 2.851 N/A HIS 256.A ND1 GLU 278.A OE2 no hydrogen 2.726 N/A ASN 257.A N ILE 253.A O no hydrogen 3.122 N/A THR 258.A N GLN 254.A O no hydrogen 3.010 N/A THR 258.A OG1 GLN 254.A O no hydrogen 2.965 N/A ILE 259.A N ASP 255.A O no hydrogen 3.082 N/A TRP 260.A N HIS 256.A O no hydrogen 2.952 N/A GLU 261.A N ASN 257.A O no hydrogen 2.895 N/A GLY 262.A N THR 258.A O no hydrogen 2.860 N/A CYS 263.A N ILE 259.A O no hydrogen 3.044 N/A CYS 263.A SG TYR 228.A O no hydrogen 3.714 N/A CYS 263.A SG GLY 239.A O no hydrogen 3.992 N/A CYS 263.A SG ILE 259.A O no hydrogen 3.273 N/A CYS 264.A N TRP 260.A O no hydrogen 3.110 N/A ARG 265.A N GLU 261.A O no hydrogen 3.079 N/A ARG 265.A NH1 GLU 261.A O no hydrogen 3.277 N/A LEU 266.A N CYS 263.A O no hydrogen 3.087 N/A GLU 267.A N CYS 263.A O no hydrogen 2.827 N/A GLU 267.A N CYS 264.A O no hydrogen 3.178 N/A THR 269.A OG1 GLU 267.A OE1 no hydrogen 2.687 N/A LEU 270.A N GLU 267.A O no hydrogen 3.038 N/A LYS 271.A N PRO 268.A O no hydrogen 3.115 N/A ALA 273.A N LEU 270.A O no hydrogen 3.278 N/A ILE 276.A N LYS 204.A O no hydrogen 2.979 N/A GLY 277.A N LYS 204.A O no hydrogen 3.346 N/A ARG 279.A N ILE 202.A O no hydrogen 2.932 N/A THR 280.A OG1 LEU 250.A O no hydrogen 3.313 N/A THR 280.A OG1 ASN 251.A OD1 no hydrogen 2.559 N/A GLY 281.A N GLY 200.A O no hydrogen 3.117 N/A PHE 282.A N THR 44.A OG1 no hydrogen 3.177 N/A ARG 283.A N GLY 198.A O no hydrogen 3.004 N/A ARG 283.A NH1 ILE 241.A O no hydrogen 2.776 N/A ARG 283.A NH2 GLY 198.A O no hydrogen 2.843 N/A ARG 283.A NH2 ARG 199.A O no hydrogen 2.939 N/A ARG 283.A NH2 ILE 241.A O no hydrogen 2.939 N/A VAL 285.A N GLN 196.A O no hydrogen 2.781 N/A ARG 286.A NE ASP 192.A OD2 no hydrogen 2.612 N/A ARG 286.A NH1 ASP 192.A OD2 no hydrogen 2.832 N/A ARG 286.A NH2 GLN 288.A O no hydrogen 3.007 N/A ILE 289.A N GLU 64.A OE2 no hydrogen 2.898 N/A ARG 290.A N TYR 309.A O no hydrogen 2.950 N/A ARG 290.A NE TYR 309.A OH no hydrogen 2.909 N/A ARG 290.A NH1 GLN 190.A OE1 no hydrogen 2.602 N/A ARG 290.A NH1 TYR 309.A OH no hydrogen 3.038 N/A ARG 290.A NH2 GLU 292.A OE2 no hydrogen 2.942 N/A GLU 292.A N HIS 307.A O no hydrogen 3.073 N/A ARG 293.A NH1 GLU 336.A OE1 no hydrogen 3.331 N/A ARG 293.A NH1 GLU 336.A OE2 no hydrogen 2.901 N/A ARG 293.A NH2 GLU 304.A OE1 no hydrogen 2.844 N/A ARG 293.A NH2 GLU 336.A OE1 no hydrogen 3.249 N/A GLU 294.A N VAL 305.A O no hydrogen 3.081 N/A LEU 296.A N THR 303.A O no hydrogen 2.818 N/A ARG 297.A NE GLN 295.A O no hydrogen 3.300 N/A THR 298.A N LEU 296.A O no hydrogen 2.588 N/A SER 301.A OG ASN 302.A O no hydrogen 3.253 N/A THR 303.A N LEU 296.A O no hydrogen 3.023 N/A GLU 304.A N ASP 176.A O no hydrogen 3.117 N/A VAL 305.A N GLU 294.A O no hydrogen 3.052 N/A ILE 306.A N ILE 178.A O no hydrogen 2.631 N/A HIS 307.A N GLU 292.A O no hydrogen 2.817 N/A ASN 308.A N ASN 180.A O no hydrogen 3.034 N/A TYR 309.A N ARG 290.A O no hydrogen 3.287 N/A TYR 309.A OH ASP 192.A OD2 no hydrogen 2.622 N/A GLY 313.A N TYR 55.A OH no hydrogen 2.946 N/A TYR 314.A N HIS 311.A O no hydrogen 3.253 N/A TYR 314.A OH GLU 64.A OE1 no hydrogen 2.934 N/A THR 317.A OG1 LEU 51.A O no hydrogen 3.520 N/A ILE 318.A N GLY 315.A O no hydrogen 3.045 N/A GLY 321.A N THR 71.A OG1 no hydrogen 2.876 N/A CYS 322.A N ILE 318.A O no hydrogen 3.097 N/A CYS 322.A SG HIS 311.A NE2 no hydrogen 3.514 N/A CYS 322.A SG ILE 318.A O no hydrogen 3.545 N/A ALA 323.A N HIS 319.A O no hydrogen 2.876 N/A ALA 323.A N TRP 320.A O no hydrogen 2.806 N/A LEU 324.A N TRP 320.A O no hydrogen 3.030 N/A GLU 325.A N GLY 321.A O no hydrogen 2.994 N/A ALA 326.A N CYS 322.A O no hydrogen 2.896 N/A ALA 327.A N ALA 323.A O no hydrogen 2.805 N/A LYS 328.A N LEU 324.A O no hydrogen 2.846 N/A LEU 329.A N GLU 325.A O no hydrogen 3.056 N/A PHE 330.A N ALA 326.A O no hydrogen 3.035 N/A GLY 331.A N ALA 327.A O no hydrogen 2.753 N/A ARG 332.A N LYS 328.A O no hydrogen 2.865 N/A ILE 333.A N LEU 329.A O no hydrogen 3.170 N/A LEU 334.A N PHE 330.A O no hydrogen 3.147 N/A GLU 335.A N GLY 331.A O no hydrogen 3.350 N/A GLU 336.A N ARG 332.A O no hydrogen 3.314 N/A LYS 337.A N ILE 333.A O no hydrogen 2.789 N/A LYS 338.A N GLU 335.A O no hydrogen 2.586 N/A LEU 339.A N LEU 334.A O no hydrogen 3.223 N/A