Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mpa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 PRO 85.A O no hydrogen 3.204 N/A ARG 1.A NH2 PRO 85.A O no hydrogen 2.766 N/A TYR 5.A N VAL 16.A O no hydrogen 2.951 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.534 N/A GLN 7.A N TRP 14.A O no hydrogen 2.958 N/A LEU 9.A N THR 12.A O no hydrogen 2.801 N/A THR 12.A OG1 LEU 9.A O no hydrogen 2.628 N/A TRP 14.A N GLN 7.A O no hydrogen 2.678 N/A GLU 15.A N TYR 96.A OH no hydrogen 2.917 N/A VAL 16.A N TYR 5.A O no hydrogen 3.252 N/A GLU 18.A N THR 3.A O no hydrogen 2.786 N/A ARG 19.A NE ASP 36.A OD1 no hydrogen 2.906 N/A ARG 19.A NH2 ASP 36.A OD1 no hydrogen 3.213 N/A ARG 19.A NH2 ASP 36.A OD2 no hydrogen 2.610 N/A TYR 20.A N PRO 17.A O no hydrogen 3.335 N/A TYR 20.A OH ASP 81.A OD1 no hydrogen 2.621 N/A GLN 21.A N PHE 35.A O no hydrogen 2.892 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.674 N/A SER 24.A N ALA 33.A O no hydrogen 2.802 N/A VAL 26.A N VAL 31.A O no hydrogen 2.845 N/A SER 30.A N LYS 47.A O no hydrogen 3.157 N/A VAL 31.A N GLY 27.A O no hydrogen 2.914 N/A CYS 32.A N VAL 45.A O no hydrogen 2.804 N/A ALA 33.A N SER 24.A O no hydrogen 2.783 N/A ALA 34.A N VAL 43.A O no hydrogen 2.976 N/A PHE 35.A N GLN 21.A O no hydrogen 2.565 N/A ASP 36.A N LEU 41.A O no hydrogen 2.877 N/A THR 37.A N ARG 19.A O no hydrogen 2.759 N/A THR 37.A OG1 ARG 19.A O no hydrogen 2.924 N/A LYS 38.A N ASP 36.A OD1 no hydrogen 3.283 N/A THR 39.A OG1 ASP 36.A OD2 no hydrogen 3.012 N/A GLY 40.A N ASP 36.A O no hydrogen 2.708 N/A LEU 41.A N THR 39.A OG1 no hydrogen 3.385 N/A VAL 43.A N ALA 34.A O no hydrogen 2.898 N/A ALA 44.A N THR 99.A O no hydrogen 2.825 N/A VAL 45.A N CYS 32.A O no hydrogen 2.789 N/A LYS 46.A N LEU 97.A O no hydrogen 2.772 N/A LYS 46.A NZ GLU 64.A OE1 no hydrogen 3.479 N/A LYS 46.A NZ GLU 64.A OE2 no hydrogen 2.617 N/A LYS 47.A N SER 30.A O no hydrogen 2.923 N/A LYS 47.A NZ ILE 13.A O no hydrogen 2.344 N/A LEU 48.A N VAL 95.A O no hydrogen 3.037 N/A ARG 50.A NH1 GLN 53.A OE1 no hydrogen 2.858 N/A GLN 53.A N ARG 50.A O no hydrogen 3.165 N/A HIS 57.A N SER 54.A OG no hydrogen 3.220 N/A ALA 58.A N SER 54.A O no hydrogen 2.782 N/A LYS 59.A N ILE 55.A O no hydrogen 2.876 N/A LYS 59.A NZ GLU 307.A O no hydrogen 2.805 N/A LYS 59.A NZ ARG 309.A O no hydrogen 3.308 N/A ARG 60.A N ILE 56.A O no hydrogen 3.083 N/A THR 61.A N HIS 57.A O no hydrogen 2.771 N/A THR 61.A OG1 PRO 51.A O no hydrogen 2.812 N/A THR 61.A OG1 HIS 57.A O no hydrogen 2.878 N/A TYR 62.A N ALA 58.A O no hydrogen 3.082 N/A ARG 63.A N LYS 59.A O no hydrogen 2.762 N/A ARG 63.A NE GLU 307.A OE2 no hydrogen 2.778 N/A ARG 63.A NH2 GLU 307.A OE1 no hydrogen 2.922 N/A GLU 64.A N ARG 60.A O no hydrogen 2.923 N/A LEU 65.A N THR 61.A O no hydrogen 3.064 N/A ARG 66.A N TYR 62.A O no hydrogen 2.855 N/A ARG 66.A NH1 TYR 62.A OH no hydrogen 2.804 N/A LEU 67.A N ARG 63.A O no hydrogen 3.014 N/A LEU 68.A N GLU 64.A O no hydrogen 2.969 N/A LYS 69.A N LEU 65.A O no hydrogen 3.031 N/A LYS 69.A NZ GLU 323.A O no hydrogen 2.689 N/A LYS 69.A NZ GLU 323.A OE1 no hydrogen 2.748 N/A HIS 70.A N LEU 67.A O no hydrogen 3.073 N/A HIS 70.A NE2 ASP 300.A O no hydrogen 2.888 N/A MET 71.A N LEU 67.A O no hydrogen 3.230 N/A LYS 72.A N TYR 133.A OH no hydrogen 2.896 N/A ASN 75.A ND2 LEU 157.A O no hydrogen 2.939 N/A VAL 76.A N HIS 73.A O no hydrogen 3.119 N/A ILE 77.A N ILE 159.A O no hydrogen 2.914 N/A LEU 80.A N VAL 98.A O no hydrogen 2.743 N/A ASP 81.A N VAL 98.A O no hydrogen 3.361 N/A PHE 83.A N TYR 96.A O no hydrogen 3.046 N/A THR 84.A OG1 ASP 94.A O no hydrogen 2.687 N/A ALA 86.A N THR 84.A OG1 no hydrogen 3.382 N/A SER 88.A OG ARG 87.A O no hydrogen 2.509 N/A GLU 90.A N GLU 90.A OE2 no hydrogen 2.764 N/A PHE 92.A N LEU 89.A O no hydrogen 3.249 N/A ASN 93.A ND2 ASN 93.A O no hydrogen 2.791 N/A TYR 96.A N PHE 83.A O no hydrogen 2.933 N/A LEU 97.A N LYS 46.A O no hydrogen 2.851 N/A VAL 98.A N ASP 81.A O no hydrogen 2.842 N/A THR 99.A N ALA 44.A O no hydrogen 3.004 N/A THR 99.A OG1 GLY 78.A O no hydrogen 2.565 N/A LEU 101.A N ARG 42.A O no hydrogen 3.052 N/A ALA 104.A N VAL 151.A O no hydrogen 3.242 N/A LEU 106.A N PRO 146.A O no hydrogen 3.260 N/A LEU 106.A N LEU 149.A O no hydrogen 3.020 N/A ASN 108.A N ASP 105.A OD2 no hydrogen 3.008 N/A ILE 109.A N LEU 106.A O no hydrogen 3.223 N/A VAL 110.A N LEU 106.A O no hydrogen 3.238 N/A LYS 111.A NZ ASN 107.A OD1 no hydrogen 3.103 N/A LYS 114.A NZ THR 197.A O no hydrogen 3.466 N/A THR 116.A OG1 HIS 119.A ND1 no hydrogen 2.593 N/A VAL 120.A N THR 116.A O no hydrogen 3.158 N/A GLN 121.A N ASP 117.A O no hydrogen 2.891 N/A PHE 122.A N ASP 118.A O no hydrogen 3.087 N/A LEU 123.A N HIS 119.A O no hydrogen 3.107 N/A ILE 124.A N VAL 120.A O no hydrogen 2.921 N/A TYR 125.A N GLN 121.A O no hydrogen 2.928 N/A TYR 125.A OH GLU 296.A OE1 no hydrogen 2.471 N/A GLN 126.A N PHE 122.A O no hydrogen 3.028 N/A GLN 126.A NE2 PHE 122.A O no hydrogen 3.407 N/A GLN 126.A NE2 CYS 155.A O no hydrogen 2.776 N/A ILE 127.A N LEU 123.A O no hydrogen 3.070 N/A LEU 128.A N ILE 124.A O no hydrogen 3.033 N/A ARG 129.A N TYR 125.A O no hydrogen 2.950 N/A ARG 129.A NE ASP 295.A O no hydrogen 2.789 N/A ARG 129.A NH1 GLU 74.A OE2 no hydrogen 3.338 N/A ARG 129.A NH1 ASN 75.A OD1 no hydrogen 3.047 N/A ARG 129.A NH2 ASP 295.A O no hydrogen 2.965 N/A ARG 129.A NH2 ASP 295.A OD2 no hydrogen 3.366 N/A GLY 130.A N GLN 126.A O no hydrogen 3.083 N/A LEU 131.A N ILE 127.A O no hydrogen 2.759 N/A LYS 132.A N LEU 128.A O no hydrogen 2.783 N/A LYS 132.A NZ GLU 296.A O no hydrogen 2.614 N/A TYR 133.A N ARG 129.A O no hydrogen 3.427 N/A TYR 133.A OH HIS 70.A O no hydrogen 3.091 N/A ILE 134.A N GLY 130.A O no hydrogen 2.887 N/A HIS 135.A N LEU 131.A O no hydrogen 2.853 N/A HIS 135.A NE2 ASP 184.A OD1 no hydrogen 2.993 N/A SER 136.A N LYS 132.A O no hydrogen 3.031 N/A SER 136.A N TYR 133.A O no hydrogen 3.116 N/A SER 136.A OG LYS 132.A O no hydrogen 3.436 N/A SER 136.A OG TYR 133.A O no hydrogen 2.596 N/A ALA 137.A N ILE 134.A O no hydrogen 3.070 N/A ASP 138.A N HIS 135.A O no hydrogen 3.075 N/A HIS 141.A N ASP 184.A OD1 no hydrogen 2.730 N/A HIS 141.A NE2 LEU 160.A O no hydrogen 2.793 N/A ARG 142.A N ASP 184.A OD2 no hydrogen 2.812 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 3.004 N/A LYS 145.A NZ ASP 143.A OD2 no hydrogen 3.488 N/A ASN 148.A N LYS 145.A O no hydrogen 2.777 N/A LEU 149.A N PRO 146.A O no hydrogen 3.242 N/A ALA 150.A N LYS 158.A O no hydrogen 2.955 N/A VAL 151.A N ALA 104.A O no hydrogen 2.787 N/A ASN 152.A N GLU 156.A O no hydrogen 3.002 N/A ASN 152.A ND2 GLU 156.A OE2 no hydrogen 2.905 N/A CYS 155.A N ASN 152.A O no hydrogen 3.270 N/A GLU 156.A N ASN 152.A OD1 no hydrogen 3.181 N/A LEU 157.A N GLN 126.A OE1 no hydrogen 2.872 N/A LYS 158.A N ALA 150.A O no hydrogen 2.819 N/A LYS 158.A NZ GLU 74.A O no hydrogen 2.671 N/A ILE 159.A N ASN 75.A O no hydrogen 2.803 N/A LEU 160.A N ASN 148.A O no hydrogen 2.918 N/A GLY 163.A N HIS 141.A O no hydrogen 2.739 N/A TRP 166.A NE1 GLY 204.A O no hydrogen 2.945 N/A TYR 167.A OH GLU 194.A OE1 no hydrogen 2.605 N/A TYR 167.A OH GLU 194.A OE2 no hydrogen 3.342 N/A ARG 168.A N ARG 165.A O no hydrogen 3.165 N/A GLU 171.A N GLU 171.A OE2 no hydrogen 2.797 N/A ILE 172.A N ALA 169.A O no hydrogen 2.992 N/A MET 173.A N ALA 169.A O no hydrogen 3.420 N/A LEU 174.A N PRO 170.A O no hydrogen 3.063 N/A ASN 175.A N ILE 172.A O no hydrogen 3.150 N/A TYR 179.A OH ASN 175.A O no hydrogen 2.327 N/A GLN 181.A NE2 HIS 135.A O no hydrogen 2.793 N/A GLN 181.A NE2 ILE 139.A O no hydrogen 3.690 N/A THR 182.A OG1 ASN 180.A OD1 no hydrogen 2.277 N/A THR 182.A OG1 SER 272.A O no hydrogen 2.933 N/A VAL 183.A N ASN 180.A O no hydrogen 3.047 N/A ASP 184.A N GLN 181.A O no hydrogen 2.887 N/A TRP 186.A N THR 182.A O no hydrogen 3.199 N/A SER 187.A N VAL 183.A O no hydrogen 3.435 N/A SER 187.A OG TYR 167.A O no hydrogen 2.757 N/A SER 187.A OG VAL 183.A O no hydrogen 3.362 N/A VAL 188.A N ASP 184.A O no hydrogen 3.025 N/A GLY 189.A N ILE 185.A O no hydrogen 2.965 N/A CYS 190.A N TRP 186.A O no hydrogen 3.079 N/A CYS 190.A SG TRP 166.A O no hydrogen 3.978 N/A CYS 190.A SG TRP 186.A O no hydrogen 3.561 N/A ILE 191.A N SER 187.A O no hydrogen 2.926 N/A MET 192.A N VAL 188.A O no hydrogen 2.807 N/A ALA 193.A N GLY 189.A O no hydrogen 2.948 N/A GLU 194.A N CYS 190.A O no hydrogen 3.182 N/A LEU 195.A N ILE 191.A O no hydrogen 3.037 N/A LEU 196.A N MET 192.A O no hydrogen 3.004 N/A THR 197.A N ALA 193.A O no hydrogen 3.013 N/A THR 197.A OG1 ALA 193.A O no hydrogen 2.911 N/A THR 197.A OG1 ARG 199.A O no hydrogen 3.112 N/A GLY 198.A N GLU 194.A O no hydrogen 2.755 N/A ARG 199.A N THR 197.A OG1 no hydrogen 3.086 N/A GLY 204.A N PHE 202.A O no hydrogen 3.004 N/A GLY 204.A N GLN 210.A OE1 no hydrogen 3.138 N/A THR 205.A N ASP 209.A OD1 no hydrogen 2.838 N/A THR 205.A OG1 ASP 206.A OD1 no hydrogen 3.510 N/A THR 205.A OG1 ASP 209.A OD1 no hydrogen 2.850 N/A ASP 209.A N ASP 206.A OD2 no hydrogen 2.640 N/A GLN 210.A N ASP 206.A O no hydrogen 2.936 N/A GLN 210.A NE2 TRP 166.A O no hydrogen 3.479 N/A GLN 210.A NE2 PHE 202.A O no hydrogen 3.053 N/A LEU 211.A N HIS 207.A O no hydrogen 3.267 N/A LYS 212.A N ILE 208.A O no hydrogen 3.206 N/A LYS 212.A NZ ASP 209.A OD2 no hydrogen 2.877 N/A LEU 213.A N ASP 209.A O no hydrogen 3.055 N/A ILE 214.A N GLN 210.A O no hydrogen 3.007 N/A LEU 215.A N LEU 211.A O no hydrogen 2.923 N/A ARG 216.A N LYS 212.A O no hydrogen 2.834 N/A LEU 217.A N ILE 214.A O no hydrogen 3.145 N/A VAL 218.A N ILE 214.A O no hydrogen 3.057 N/A GLY 219.A N LEU 215.A O no hydrogen 2.871 N/A THR 220.A N MET 244.A O no hydrogen 3.359 N/A LEU 225.A N GLY 222.A O no hydrogen 2.992 N/A LEU 226.A N GLY 222.A O no hydrogen 2.860 N/A LYS 227.A N ALA 223.A O no hydrogen 2.971 N/A LYS 228.A N LEU 225.A O no hydrogen 3.101 N/A ILE 229.A N LEU 226.A O no hydrogen 3.165 N/A ARG 235.A N SER 231.A O no hydrogen 3.061 N/A ASN 236.A N GLU 232.A O no hydrogen 2.810 N/A TYR 237.A N SER 233.A O no hydrogen 2.996 N/A ILE 238.A N ALA 234.A O no hydrogen 2.839 N/A GLN 239.A N ARG 235.A O no hydrogen 2.950 N/A GLN 239.A NE2 ARG 235.A O no hydrogen 3.438 N/A SER 240.A N ASN 236.A O no hydrogen 3.053 N/A SER 240.A OG ASN 236.A O no hydrogen 3.421 N/A SER 240.A OG TYR 237.A O no hydrogen 2.664 N/A LEU 241.A N ILE 238.A O no hydrogen 3.254 N/A MET 247.A N LEU 217.A O no hydrogen 2.963 N/A ASN 251.A N ASN 248.A O no hydrogen 2.770 N/A VAL 252.A N ASN 248.A O no hydrogen 2.915 N/A PHE 253.A N PHE 249.A O no hydrogen 2.690 N/A ILE 254.A N ASN 251.A O no hydrogen 3.067 N/A ALA 256.A N PHE 253.A O no hydrogen 2.948 N/A ASN 257.A ND2 ASP 117.A OD2 no hydrogen 2.745 N/A LEU 259.A N ASN 257.A OD1 no hydrogen 2.997 N/A VAL 261.A N ASN 257.A O no hydrogen 3.145 N/A ASP 262.A N PRO 258.A O no hydrogen 3.045 N/A LEU 263.A N LEU 259.A O no hydrogen 3.252 N/A LEU 264.A N ALA 260.A O no hydrogen 2.955 N/A GLU 265.A N VAL 261.A O no hydrogen 3.079 N/A LYS 266.A N ASP 262.A O no hydrogen 3.202 N/A LYS 266.A NZ ASP 262.A OD1 no hydrogen 3.038 N/A LYS 266.A NZ ASP 262.A OD2 no hydrogen 2.761 N/A MET 267.A N LEU 263.A O no hydrogen 3.028 N/A MET 267.A N LEU 264.A O no hydrogen 3.097 N/A LEU 268.A N LEU 264.A O no hydrogen 2.918 N/A ASP 273.A N ASP 271.A OD1 no hydrogen 3.205 N/A LYS 274.A N ASP 271.A O no hydrogen 2.795 N/A ARG 275.A N SER 272.A O no hydrogen 3.328 N/A ARG 275.A NE THR 182.A O no hydrogen 3.532 N/A ARG 275.A NH1 GLU 171.A OE2 no hydrogen 3.340 N/A ARG 275.A NH1 VAL 269.A O no hydrogen 3.067 N/A ARG 275.A NH2 GLU 171.A OE1 no hydrogen 2.748 N/A ARG 275.A NH2 GLU 171.A OE2 no hydrogen 3.506 N/A ARG 275.A NH2 THR 182.A O no hydrogen 3.162 N/A ILE 276.A N LYS 266.A O no hydrogen 3.038 N/A THR 277.A N GLN 280.A OE1 no hydrogen 3.034 N/A GLN 280.A N THR 277.A OG1 no hydrogen 3.018 N/A ALA 281.A N THR 277.A O no hydrogen 2.915 N/A LEU 282.A N ALA 278.A O no hydrogen 3.176 N/A ALA 283.A N GLN 280.A O no hydrogen 3.106 N/A HIS 284.A N ALA 281.A O no hydrogen 3.199 N/A HIS 284.A NE2 ASP 262.A OD2 no hydrogen 2.643 N/A TYR 286.A N HIS 284.A ND1 no hydrogen 3.156 N/A TYR 286.A OH ASP 117.A OD1 no hydrogen 2.891 N/A PHE 287.A N HIS 284.A O no hydrogen 2.915 N/A ALA 288.A N ALA 285.A O no hydrogen 3.113 N/A TYR 290.A N PHE 287.A O no hydrogen 2.777 N/A TYR 290.A OH ASP 118.A OD2 no hydrogen 2.684 N/A HIS 291.A N PHE 287.A O no hydrogen 2.793 N/A HIS 291.A ND1 GLU 296.A OE1 no hydrogen 3.093 N/A ASP 292.A N GLU 296.A OE1 no hydrogen 3.123 N/A ASP 294.A N ASP 292.A OD1 no hydrogen 3.100 N/A ASP 295.A N ASP 292.A O no hydrogen 2.768 N/A ALA 299.A N SER 136.A OG no hydrogen 2.723 N/A GLN 304.A NE2 ASP 138.A O no hydrogen 2.913 N/A SER 305.A N ASP 303.A OD1 no hydrogen 2.977 N/A SER 305.A OG ASP 303.A OD1 no hydrogen 2.537 N/A GLU 307.A N GLN 304.A O no hydrogen 3.027 N/A SER 308.A N SER 305.A O no hydrogen 2.880 N/A ARG 309.A N PHE 306.A O no hydrogen 3.050 N/A LEU 312.A N GLU 315.A OE1 no hydrogen 2.858 N/A GLU 315.A N LEU 312.A O no hydrogen 2.845 N/A TRP 316.A N LEU 312.A O no hydrogen 3.071 N/A LYS 317.A N ILE 313.A O no hydrogen 2.885 N/A LYS 317.A NZ PHE 92.A O no hydrogen 2.742 N/A SER 318.A N ASP 314.A O no hydrogen 3.018 N/A LEU 319.A N GLU 315.A O no hydrogen 2.980 N/A THR 320.A N TRP 316.A O no hydrogen 2.987 N/A THR 320.A OG1 TRP 316.A O no hydrogen 2.696 N/A TYR 321.A N LYS 317.A O no hydrogen 3.068 N/A ASP 322.A N SER 318.A O no hydrogen 3.071 N/A GLU 323.A N LEU 319.A O no hydrogen 3.164 N/A VAL 324.A N THR 320.A O no hydrogen 3.068 N/A ILE 325.A N TYR 321.A O no hydrogen 3.057 N/A SER 326.A N ASP 322.A O no hydrogen 3.009 N/A SER 326.A OG ASP 322.A O no hydrogen 2.861 N/A SER 326.A OG GLU 323.A O no hydrogen 3.531 N/A PHE 327.A N VAL 324.A O no hydrogen 3.198 N/A