Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x5a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ALA 1.A O no hydrogen 2.264 N/A SER 2.A OG SER 2.A O no hydrogen 2.682 N/A GLN 8.A N SER 5.A OG no hydrogen 3.104 N/A ILE 9.A N SER 5.A O no hydrogen 2.964 N/A LEU 10.A N TRP 6.A O no hydrogen 2.802 N/A GLY 11.A N PRO 7.A O no hydrogen 2.881 N/A ARG 12.A N GLN 8.A O no hydrogen 3.116 N/A ARG 12.A NE ASP 18.A O no hydrogen 2.893 N/A ARG 12.A NH2 ASP 18.A O no hydrogen 3.419 N/A LEU 13.A N ILE 9.A O no hydrogen 2.902 N/A THR 14.A N LEU 10.A O no hydrogen 2.927 N/A THR 14.A OG1 LEU 10.A O no hydrogen 3.071 N/A THR 14.A OG1 GLY 11.A O no hydrogen 3.277 N/A ASP 15.A N GLY 11.A O no hydrogen 3.060 N/A ASN 16.A N LEU 13.A O no hydrogen 2.840 N/A ARG 17.A N ARG 12.A O no hydrogen 3.174 N/A LEU 19.A N GLU 57.A OE2 no hydrogen 2.705 N/A ALA 20.A N GLN 23.A OE1 no hydrogen 2.909 N/A GLY 22.A N GLU 60.A OE2 no hydrogen 2.743 N/A GLN 23.A N ALA 20.A O no hydrogen 2.963 N/A GLN 23.A NE2 ALA 1.A O no hydrogen 3.454 N/A GLN 23.A NE2 GLN 8.A OE1 no hydrogen 3.013 N/A ALA 25.A N GLU 60.A OE1 no hydrogen 2.910 N/A TRP 26.A N GLY 22.A O no hydrogen 2.990 N/A ALA 27.A N GLN 23.A O no hydrogen 2.815 N/A MET 28.A N ALA 24.A O no hydrogen 2.726 N/A ASP 29.A N ALA 25.A O no hydrogen 2.741 N/A GLN 30.A N TRP 26.A O no hydrogen 2.883 N/A ILE 31.A N ALA 27.A O no hydrogen 3.007 N/A MET 32.A N MET 28.A O no hydrogen 2.880 N/A MET 32.A N ASP 29.A O no hydrogen 3.216 N/A THR 33.A N ASP 29.A O no hydrogen 2.979 N/A THR 33.A OG1 ASP 29.A O no hydrogen 3.372 N/A ASN 35.A N GLN 30.A O no hydrogen 3.087 N/A ARG 37.A N GLN 40.A OE1 no hydrogen 2.986 N/A ILE 41.A N ARG 37.A O no hydrogen 2.900 N/A ALA 42.A N PRO 38.A O no hydrogen 2.951 N/A ALA 43.A N ALA 39.A O no hydrogen 2.984 N/A PHE 44.A N GLN 40.A O no hydrogen 2.857 N/A ALA 45.A N ILE 41.A O no hydrogen 2.888 N/A VAL 46.A N ALA 42.A O no hydrogen 2.938 N/A ALA 47.A N ALA 43.A O no hydrogen 2.732 N/A MET 48.A N PHE 44.A O no hydrogen 2.892 N/A THR 49.A N ALA 45.A O no hydrogen 3.216 N/A THR 49.A OG1 ALA 45.A O no hydrogen 2.793 N/A MET 50.A N VAL 46.A O no hydrogen 2.976 N/A LYS 51.A N ALA 47.A O no hydrogen 2.920 N/A LYS 51.A NZ ASP 18.A OD1 no hydrogen 3.134 N/A LYS 51.A NZ ALA 52.A O no hydrogen 2.934 N/A LYS 51.A NZ GLU 57.A OE1 no hydrogen 2.622 N/A LYS 51.A NZ GLU 57.A OE2 no hydrogen 3.059 N/A ALA 52.A N MET 48.A O no hydrogen 3.256 N/A ALA 52.A N THR 49.A O no hydrogen 3.029 N/A THR 54.A N GLU 57.A OE1 no hydrogen 3.202 N/A GLU 57.A N THR 54.A OG1 no hydrogen 3.002 N/A VAL 58.A N THR 54.A O no hydrogen 3.090 N/A GLY 59.A N ALA 55.A O no hydrogen 2.801 N/A GLU 60.A N ASP 56.A O no hydrogen 2.801 N/A LEU 61.A N GLU 57.A O no hydrogen 2.934 N/A ALA 62.A N VAL 58.A O no hydrogen 2.826 N/A GLY 63.A N GLY 59.A O no hydrogen 2.869 N/A VAL 64.A N GLU 60.A O no hydrogen 3.078 N/A MET 65.A N LEU 61.A O no hydrogen 3.125 N/A LEU 66.A N ALA 62.A O no hydrogen 2.970 N/A SER 67.A N GLY 63.A O no hydrogen 2.903 N/A SER 67.A OG VAL 64.A O no hydrogen 2.881 N/A HIS 68.A N VAL 64.A O no hydrogen 3.174 N/A HIS 68.A N MET 65.A O no hydrogen 3.085 N/A HIS 68.A NE2 ASP 29.A OD1 no hydrogen 2.657 N/A HIS 70.A N PHE 158.A O no hydrogen 2.979 N/A HIS 70.A ND1 ARG 157.A O no hydrogen 3.043 N/A THR 76.A OG1 PRO 73.A O no hydrogen 2.525 N/A ALA 81.A N PRO 78.A O no hydrogen 3.125 N/A VAL 82.A N PRO 108.A O no hydrogen 2.805 N/A ASP 83.A N ALA 192.A O no hydrogen 3.082 N/A VAL 85.A N LEU 194.A O no hydrogen 3.140 N/A THR 87.A N GLY 196.A O no hydrogen 2.649 N/A THR 87.A OG1 GLY 88.A O no hydrogen 3.291 N/A GLY 88.A N ASP 227.A OD2 no hydrogen 2.707 N/A THR 91.A OG1 ASP 227.A OD1 no hydrogen 2.725 N/A ASN 93.A ND2 LEU 265.A O no hydrogen 2.924 N/A SER 95.A N THR 91.A O no hydrogen 2.879 N/A SER 95.A OG THR 91.A O no hydrogen 3.253 N/A SER 95.A OG VAL 92.A O no hydrogen 3.334 N/A THR 96.A N VAL 92.A O no hydrogen 2.956 N/A THR 96.A OG1 VAL 92.A O no hydrogen 2.424 N/A MET 97.A N ASN 93.A O no hydrogen 3.266 N/A ALA 98.A N LEU 94.A O no hydrogen 2.924 N/A ALA 99.A N SER 95.A O no hydrogen 2.896 N/A ILE 100.A N THR 96.A O no hydrogen 3.144 N/A VAL 101.A N MET 97.A O no hydrogen 2.954 N/A VAL 102.A N ALA 98.A O no hydrogen 2.880 N/A ALA 103.A N ALA 99.A O no hydrogen 3.131 N/A ALA 104.A N ILE 100.A O no hydrogen 2.915 N/A ALA 105.A N VAL 101.A O no hydrogen 3.040 N/A GLY 106.A N ALA 103.A O no hydrogen 2.775 N/A VAL 107.A N VAL 102.A O no hydrogen 3.272 N/A VAL 109.A N GLY 149.A O no hydrogen 3.216 N/A VAL 110.A N VAL 82.A O no hydrogen 2.851 N/A LYS 111.A N GLY 151.A O no hydrogen 2.846 N/A LYS 111.A NZ VAL 84.A O no hydrogen 2.939 N/A HIS 112.A ND1 GLY 182.A O no hydrogen 2.809 N/A GLY 113.A N CYS 153.A O no hydrogen 3.223 N/A ASN 114.A N SER 121.A O no hydrogen 2.633 N/A ARG 115.A N ASN 114.A OD1 no hydrogen 2.817 N/A ARG 115.A NE GLU 128.A OE1 no hydrogen 2.922 N/A ARG 115.A NH2 GLU 128.A OE1 no hydrogen 3.249 N/A ARG 115.A NH2 GLU 128.A OE2 no hydrogen 3.539 N/A ALA 116.A N ASP 125.A OD2 no hydrogen 2.830 N/A SER 119.A OG TYR 162.A OH no hydrogen 2.553 N/A SER 121.A OG GLY 86.A O no hydrogen 2.947 N/A ALA 124.A N ASN 114.A O no hydrogen 3.148 N/A LEU 127.A N GLY 123.A O no hydrogen 3.475 N/A GLU 128.A N ALA 124.A O no hydrogen 3.017 N/A ALA 129.A N ASP 125.A O no hydrogen 3.010 N/A LEU 130.A N THR 126.A O no hydrogen 3.109 N/A LEU 130.A N LEU 127.A O no hydrogen 2.959 N/A GLY 131.A N GLU 128.A O no hydrogen 2.859 N/A VAL 132.A N LEU 127.A O no hydrogen 3.009 N/A ARG 133.A NH1 GLY 343.A O no hydrogen 3.451 N/A LEU 140.A N ASP 139.A OD1.A no hydrogen 2.991 N/A VAL 141.A N GLY 137.A O no hydrogen 3.102 N/A ALA 142.A N PRO 138.A O no hydrogen 3.116 N/A ARG 143.A N ASP 139.A O no hydrogen 3.131 N/A ARG 143.A NE GLU 147.A OE2 no hydrogen 3.315 N/A SER 144.A N LEU 140.A O no hydrogen 2.899 N/A SER 144.A OG ILE 150.A O no hydrogen 2.551 N/A LEU 145.A N VAL 141.A O no hydrogen 2.959 N/A ALA 146.A N ALA 142.A O no hydrogen 3.181 N/A GLU 147.A N ARG 143.A O no hydrogen 2.863 N/A VAL 148.A N SER 144.A O no hydrogen 2.638 N/A GLY 149.A N SER 144.A O no hydrogen 3.151 N/A GLY 151.A N VAL 109.A O no hydrogen 2.884 N/A CYS 153.A N LYS 111.A O no hydrogen 2.715 N/A ALA 155.A N GLY 113.A O no hydrogen 2.907 N/A ARG 157.A N PHE 154.A O no hydrogen 2.851 N/A PHE 158.A N PHE 154.A O no hydrogen 3.273 N/A PHE 158.A N ALA 155.A O no hydrogen 3.057 N/A HIS 159.A N ALA 155.A O no hydrogen 2.793 N/A HIS 159.A NE2 THR 185.A O no hydrogen 2.640 N/A TYR 162.A N HIS 159.A O no hydrogen 3.075 N/A TYR 162.A OH SER 119.A OG no hydrogen 2.553 N/A ARG 163.A N PRO 160.A O no hydrogen 3.355 N/A ARG 163.A NH1 PRO 160.A O no hydrogen 3.399 N/A ALA 166.A N TYR 162.A O no hydrogen 2.826 N/A ALA 167.A N ARG 163.A O no hydrogen 3.086 N/A VAL 168.A N HIS 164.A O no hydrogen 3.288 N/A ALA 169.A N ALA 165.A O no hydrogen 2.858 N/A ARG 170.A N ALA 166.A O no hydrogen 2.928 N/A GLU 171.A N ALA 167.A O no hydrogen 2.940 N/A ILE 172.A N VAL 168.A O no hydrogen 2.938 N/A GLY 173.A N ALA 169.A O no hydrogen 3.142 N/A THR 176.A N ASN 179.A OD1 no hydrogen 3.079 N/A VAL 177.A N THR 49.A OG1 no hydrogen 3.174 N/A PHE 178.A N THR 176.A OG1 no hydrogen 3.007 N/A ASN 179.A N THR 176.A O no hydrogen 3.075 N/A LEU 180.A N VAL 177.A O no hydrogen 3.100 N/A LEU 181.A N PHE 178.A O no hydrogen 2.978 N/A LEU 184.A N LEU 181.A O no hydrogen 3.015 N/A THR 185.A N GLY 182.A O no hydrogen 3.377 N/A THR 185.A OG1 LEU 181.A O no hydrogen 2.500 N/A THR 185.A OG1 GLY 182.A O no hydrogen 3.500 N/A ASN 186.A ND2 ASP 83.A OD2 no hydrogen 2.866 N/A ASN 186.A ND2 VAL 110.A O no hydrogen 2.902 N/A ALA 188.A N ASN 186.A OD1 no hydrogen 3.112 N/A ARG 189.A N ASN 186.A O no hydrogen 2.860 N/A ARG 191.A NH1 ASP 79.A O no hydrogen 3.498 N/A GLY 193.A N SER 216.A O no hydrogen 3.316 N/A LEU 194.A N ASP 83.A O no hydrogen 2.808 N/A ILE 195.A N LEU 218.A O no hydrogen 2.750 N/A GLY 196.A N VAL 85.A O no hydrogen 2.730 N/A CYS 197.A N VAL 220.A O no hydrogen 2.877 N/A CYS 197.A SG PHE 199.A O no hydrogen 3.369 N/A ALA 198.A N THR 87.A OG1 no hydrogen 3.341 N/A LEU 202.A N ASP 201.A OD1 no hydrogen 2.874 N/A ALA 203.A N PHE 199.A O no hydrogen 3.160 N/A MET 206.A N LEU 202.A O no hydrogen 2.943 N/A ALA 207.A N ALA 203.A O no hydrogen 2.925 N/A GLY 208.A N GLU 204.A O no hydrogen 3.055 N/A VAL 209.A N VAL 205.A O no hydrogen 3.166 N/A PHE 210.A N MET 206.A O no hydrogen 3.297 N/A ALA 211.A N ALA 207.A O no hydrogen 3.021 N/A ALA 212.A N GLY 208.A O no hydrogen 3.000 N/A ARG 213.A N VAL 209.A O no hydrogen 3.249 N/A ARG 213.A NH1 LEU 184.A O no hydrogen 3.156 N/A ARG 213.A NH2 LEU 184.A O no hydrogen 3.174 N/A ARG 214.A N ALA 211.A O no hydrogen 2.628 N/A SER 215.A N PHE 210.A O no hydrogen 3.005 N/A SER 215.A OG ARG 191.A O no hydrogen 3.454 N/A SER 216.A N ARG 191.A O no hydrogen 2.738 N/A SER 216.A OG ALA 302.A O no hydrogen 2.576 N/A LEU 218.A N GLY 193.A O no hydrogen 3.124 N/A VAL 219.A N TRP 238.A O no hydrogen 2.985 N/A VAL 220.A N ILE 195.A O no hydrogen 2.620 N/A HIS 221.A N THR 236.A O no hydrogen 2.768 N/A HIS 221.A ND1 CYS 197.A O no hydrogen 2.629 N/A GLY 222.A N LEU 226.A O no hydrogen 2.897 N/A ASP 223.A N THR 234.A O no hydrogen 3.030 N/A GLY 225.A N GLY 222.A O no hydrogen 2.796 N/A LEU 229.A N ASN 295.A OD1 no hydrogen 2.841 N/A THR 230.A N SER 235.A OG no hydrogen 3.193 N/A THR 230.A OG1 ASP 224.A OD2 no hydrogen 2.896 N/A THR 232.A N THR 230.A OG1 no hydrogen 2.918 N/A THR 232.A OG1 ASP 224.A OD2 no hydrogen 2.645 N/A THR 234.A N THR 233.A OG1 no hydrogen 2.641 N/A THR 234.A OG1 ASP 223.A OD2 no hydrogen 2.671 N/A SER 235.A N PHE 250.A O no hydrogen 2.845 N/A THR 236.A N HIS 221.A O no hydrogen 2.808 N/A THR 236.A OG1 ASP 223.A OD1 no hydrogen 2.769 N/A ILE 237.A N LEU 248.A O no hydrogen 2.777 N/A TRP 238.A N VAL 219.A O no hydrogen 2.795 N/A TRP 238.A NE1 GLU 204.A OE1 no hydrogen 3.107 N/A ARG 239.A N ASP 246.A O no hydrogen 2.671 N/A VAL 240.A N VAL 217.A O no hydrogen 2.822 N/A ALA 241.A N SER 244.A O no hydrogen 3.143 N/A SER 244.A N ALA 241.A O no hydrogen 3.110 N/A SER 244.A OG ALA 241.A O no hydrogen 3.071 N/A ASP 246.A N ARG 239.A O no hydrogen 3.136 N/A LEU 248.A N ILE 237.A O no hydrogen 2.720 N/A PHE 250.A N SER 235.A O no hydrogen 2.549 N/A ALA 253.A N ASP 251.A OD1 no hydrogen 3.213 N/A GLY 254.A N ASP 251.A O no hydrogen 2.990 N/A PHE 255.A N PRO 252.A O no hydrogen 2.854 N/A GLY 256.A N ALA 253.A O no hydrogen 3.000 N/A PHE 257.A N PRO 252.A O no hydrogen 3.139 N/A ARG 259.A NH1 ASP 251.A OD1 no hydrogen 2.896 N/A ARG 259.A NH2 ASP 251.A OD1 no hydrogen 3.103 N/A ARG 259.A NH2 ASP 251.A OD2 no hydrogen 3.385 N/A ALA 260.A N THR 231.A O no hydrogen 2.969 N/A GLN 261.A N GLN 264.A OE1 no hydrogen 3.036 N/A GLN 264.A N GLN 261.A O no hydrogen 2.619 N/A LEU 265.A N LEU 262.A O no hydrogen 3.164 N/A ALA 266.A N LEU 262.A O no hydrogen 3.371 N/A GLY 267.A N ASN 90.A O no hydrogen 3.293 N/A GLY 268.A N ASN 273.A OD1 no hydrogen 2.873 N/A GLN 271.A N ASP 269.A OD1 no hydrogen 2.632 N/A ASN 273.A N ASP 269.A O no hydrogen 2.725 N/A ALA 274.A N ALA 270.A O no hydrogen 3.101 N/A ALA 275.A N GLN 271.A O no hydrogen 2.974 N/A ALA 276.A N ALA 272.A O no hydrogen 3.090 N/A VAL 277.A N ASN 273.A O no hydrogen 2.887 N/A ARG 278.A N ALA 274.A O no hydrogen 2.943 N/A ALA 279.A N ALA 275.A O no hydrogen 3.055 N/A VAL 280.A N ALA 276.A O no hydrogen 2.882 N/A LEU 281.A N VAL 277.A O no hydrogen 3.014 N/A GLY 282.A N ARG 278.A O no hydrogen 3.086 N/A GLY 283.A N VAL 280.A O no hydrogen 2.966 N/A ALA 284.A N ALA 279.A O no hydrogen 2.984 N/A ARG 289.A NH1 ASP 328.A OD1 no hydrogen 3.183 N/A ARG 289.A NH2 ASP 328.A OD1 no hydrogen 3.013 N/A ASP 290.A N GLY 286.A O no hydrogen 3.243 N/A ALA 291.A N PRO 287.A O no hydrogen 2.991 N/A VAL 292.A N VAL 288.A O no hydrogen 2.912 N/A VAL 293.A N ARG 289.A O no hydrogen 2.754 N/A LEU 294.A N ASP 290.A O no hydrogen 2.864 N/A ASN 295.A N ALA 291.A O no hydrogen 2.840 N/A ASN 295.A ND2 LEU 229.A O no hydrogen 2.872 N/A ASN 295.A ND2 ALA 291.A O no hydrogen 2.897 N/A ALA 296.A N VAL 292.A O no hydrogen 2.946 N/A ALA 297.A N VAL 293.A O no hydrogen 2.839 N/A GLY 298.A N LEU 294.A O no hydrogen 3.213 N/A ALA 299.A N ASN 295.A O no hydrogen 3.115 N/A ILE 300.A N ALA 296.A O no hydrogen 2.785 N/A VAL 301.A N ALA 297.A O no hydrogen 2.783 N/A ALA 302.A N GLY 298.A O no hydrogen 2.822 N/A HIS 303.A N ALA 299.A O no hydrogen 3.005 N/A HIS 303.A NE2 ASP 80.A OD2 no hydrogen 2.632 N/A ALA 304.A N ILE 300.A O no hydrogen 2.868 N/A GLY 305.A N VAL 301.A O no hydrogen 3.063 N/A LEU 306.A N HIS 303.A O no hydrogen 2.969 N/A SER 307.A N ALA 304.A O no hydrogen 3.130 N/A ALA 315.A N GLU 311.A O no hydrogen 2.802 N/A TRP 316.A N TRP 312.A O no hydrogen 2.941 N/A GLU 317.A N LEU 313.A O no hydrogen 2.773 N/A GLU 318.A N PRO 314.A O no hydrogen 3.016 N/A GLY 319.A N ALA 315.A O no hydrogen 3.004 N/A LEU 320.A N TRP 316.A O no hydrogen 2.823 N/A ARG 321.A N GLU 317.A O no hydrogen 2.992 N/A ARG 322.A N GLU 318.A O no hydrogen 2.944 N/A ARG 322.A NH1 GLU 318.A OE1 no hydrogen 3.429 N/A ARG 322.A NH2 ALA 105.A O no hydrogen 3.061 N/A ALA 323.A N GLY 319.A O no hydrogen 2.998 N/A SER 324.A N LEU 320.A O no hydrogen 3.476 N/A SER 324.A OG.A LEU 320.A O no hydrogen 3.451 N/A SER 324.A OG.B LEU 320.A O no hydrogen 3.065 N/A SER 324.A OG.B ARG 321.A O no hydrogen 2.431 N/A ALA 325.A N ARG 321.A O no hydrogen 2.795 N/A ALA 326.A N ARG 322.A O no hydrogen 2.844 N/A ILE 327.A N ALA 323.A O no hydrogen 3.048 N/A ASP 328.A N SER 324.A O no hydrogen 2.796 N/A THR 329.A N ALA 325.A O no hydrogen 2.890 N/A THR 329.A OG1 ALA 325.A O no hydrogen 2.889 N/A GLY 330.A N ILE 327.A O no hydrogen 3.154 N/A ALA 332.A N ALA 326.A O no hydrogen 2.601 N/A GLN 334.A N GLY 330.A O no hydrogen 2.905 N/A LEU 335.A N ALA 331.A O no hydrogen 2.712 N/A LEU 336.A N ALA 332.A O no hydrogen 3.237 N/A ALA 337.A N GLU 333.A O no hydrogen 3.377 N/A ARG 338.A N GLN 334.A O no hydrogen 3.011 N/A TRP 339.A N LEU 335.A O no hydrogen 2.867 N/A VAL 340.A N LEU 336.A O no hydrogen 2.828 N/A ARG 341.A N ALA 337.A O no hydrogen 2.874 N/A PHE 342.A N ARG 338.A O no hydrogen 2.829 N/A GLY 343.A N TRP 339.A O no hydrogen 3.331 N/A ARG 344.A N VAL 340.A O no hydrogen 3.334 N/A GLN 345.A N PHE 342.A O no hydrogen 3.167 N/A