Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ptg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N VAL 15.A O no hydrogen 3.095 N/A TYR 4.A OH TYR 19.A O no hydrogen 2.483 N/A VAL 6.A N PHE 13.A O no hydrogen 2.877 N/A SER 11.A N VAL 8.A O no hydrogen 3.239 N/A THR 12.A OG1 GLU 7.A OE1 no hydrogen 2.981 N/A PHE 13.A N VAL 6.A O no hydrogen 2.967 N/A THR 14.A N TYR 98.A OH no hydrogen 3.110 N/A VAL 15.A N TYR 4.A O no hydrogen 3.091 N/A LYS 17.A N GLN 2.A O no hydrogen 3.067 N/A LYS 17.A NZ PHE 3.A O no hydrogen 3.076 N/A ARG 18.A NE ASP 38.A OD1 no hydrogen 3.354 N/A ARG 18.A NE ASP 38.A OD2 no hydrogen 2.924 N/A ARG 18.A NH2 ASP 38.A OD1 no hydrogen 2.635 N/A ARG 18.A NH2 ASP 38.A OD2 no hydrogen 3.500 N/A TYR 19.A N LEU 16.A O no hydrogen 3.282 N/A GLN 20.A N TYR 37.A O no hydrogen 3.058 N/A GLN 20.A NE2 LYS 17.A O no hydrogen 3.332 N/A LYS 23.A N ALA 35.A O no hydrogen 3.259 N/A ILE 25.A N VAL 33.A O no hydrogen 2.889 N/A GLY 26.A N VAL 33.A O no hydrogen 3.400 N/A VAL 33.A N GLY 26.A O no hydrogen 3.027 N/A CYS 34.A N ILE 47.A O no hydrogen 2.864 N/A ALA 35.A N LYS 23.A O no hydrogen 2.974 N/A ALA 36.A N VAL 45.A O no hydrogen 2.966 N/A TYR 37.A N GLN 20.A O no hydrogen 2.919 N/A TYR 37.A OH ASP 42.A OD1 no hydrogen 2.368 N/A ASP 38.A N ARG 43.A O no hydrogen 2.695 N/A ALA 39.A N ARG 18.A O no hydrogen 2.546 N/A VAL 40.A N ASP 38.A OD2 no hydrogen 3.149 N/A LEU 41.A N ASP 38.A O no hydrogen 3.050 N/A ARG 43.A N ASP 38.A O no hydrogen 3.425 N/A ASN 44.A ND2 ALA 36.A O no hydrogen 3.643 N/A VAL 45.A N ALA 36.A O no hydrogen 2.843 N/A ALA 46.A N MET 101.A O no hydrogen 2.963 N/A ILE 47.A N CYS 34.A O no hydrogen 2.860 N/A LYS 48.A N LEU 99.A O no hydrogen 2.824 N/A LYS 48.A NZ GLU 66.A OE2 no hydrogen 2.713 N/A LYS 49.A N ILE 32.A O no hydrogen 2.804 N/A LYS 49.A NZ THR 12.A O no hydrogen 2.673 N/A LYS 49.A NZ TYR 98.A OH no hydrogen 3.410 N/A LEU 50.A N VAL 97.A O no hydrogen 2.988 N/A SER 51.A N GLN 30.A O no hydrogen 3.219 N/A GLN 55.A N ARG 52.A O no hydrogen 3.316 N/A THR 58.A N ASN 56.A OD1 no hydrogen 3.210 N/A THR 58.A OG1 ASN 56.A OD1 no hydrogen 3.108 N/A HIS 59.A N ASN 56.A OD1 no hydrogen 3.030 N/A HIS 59.A ND1 ARG 52.A O no hydrogen 2.471 N/A ALA 60.A N ASN 56.A O no hydrogen 3.200 N/A LYS 61.A N GLN 57.A O no hydrogen 3.078 N/A LYS 61.A NZ ASP 320.A O no hydrogen 2.785 N/A ARG 62.A N THR 58.A O no hydrogen 3.009 N/A ALA 63.A N HIS 59.A O no hydrogen 3.254 N/A ALA 63.A N ALA 60.A O no hydrogen 3.149 N/A TYR 64.A N ALA 60.A O no hydrogen 3.207 N/A ARG 65.A N LYS 61.A O no hydrogen 3.044 N/A GLU 66.A N ARG 62.A O no hydrogen 3.229 N/A LEU 67.A N ALA 63.A O no hydrogen 3.326 N/A VAL 68.A N TYR 64.A O no hydrogen 2.790 N/A LEU 69.A N ARG 65.A O no hydrogen 2.771 N/A MET 70.A N GLU 66.A O no hydrogen 3.137 N/A LYS 71.A N LEU 67.A O no hydrogen 3.348 N/A LYS 71.A NZ GLU 336.A OE1 no hydrogen 3.300 N/A CYS 72.A N LEU 69.A O no hydrogen 3.087 N/A CYS 72.A SG VAL 68.A O no hydrogen 3.110 N/A VAL 73.A N MET 70.A O no hydrogen 3.190 N/A HIS 75.A NE2 GLU 306.A O no hydrogen 2.916 N/A LYS 76.A NZ GLU 306.A OE2 no hydrogen 2.701 N/A ASN 77.A N HIS 75.A ND1 no hydrogen 3.023 N/A ASN 77.A ND2 GLN 127.A OE1 no hydrogen 3.331 N/A ASN 77.A ND2 LEU 158.A O no hydrogen 2.818 N/A ILE 78.A N HIS 75.A O no hydrogen 3.067 N/A ILE 79.A N ILE 160.A O no hydrogen 2.985 N/A SER 80.A OG GLU 102.A OE2 no hydrogen 2.700 N/A LEU 82.A N VAL 100.A O no hydrogen 2.483 N/A ASN 83.A N VAL 100.A O no hydrogen 3.327 N/A ASN 83.A ND2 TYR 19.A OH no hydrogen 2.888 N/A PHE 85.A N TYR 98.A O no hydrogen 3.344 N/A THR 86.A OG1 ASP 96.A O no hydrogen 2.604 N/A GLN 88.A NE2 ASP 96.A OD2 no hydrogen 3.300 N/A LYS 89.A NZ PRO 87.A O no hydrogen 2.863 N/A THR 90.A OG1 GLU 92.A OE1 no hydrogen 2.884 N/A THR 90.A OG1 GLU 93.A OE1 no hydrogen 2.621 N/A GLU 92.A N GLU 92.A OE2 no hydrogen 2.545 N/A GLU 93.A N THR 90.A O no hydrogen 3.219 N/A PHE 94.A N THR 90.A O no hydrogen 3.088 N/A PHE 94.A N LEU 91.A O no hydrogen 3.338 N/A GLN 95.A N GLN 88.A OE1 no hydrogen 2.800 N/A ASP 96.A N GLN 88.A OE1 no hydrogen 3.011 N/A TYR 98.A N PHE 85.A O no hydrogen 3.302 N/A TYR 98.A OH THR 12.A O no hydrogen 3.386 N/A LEU 99.A N LYS 48.A O no hydrogen 2.802 N/A VAL 100.A N ASN 83.A O no hydrogen 2.922 N/A MET 101.A N ALA 46.A O no hydrogen 2.912 N/A GLU 102.A N SER 80.A O no hydrogen 3.225 N/A ASP 105.A N VAL 152.A O no hydrogen 2.974 N/A ALA 106.A N VAL 152.A O no hydrogen 3.239 N/A LEU 108.A N PRO 147.A O no hydrogen 2.875 N/A CYS 109.A N ASN 107.A OD1 no hydrogen 3.047 N/A ILE 112.A N LEU 108.A O no hydrogen 3.089 N/A GLN 113.A N GLN 110.A O no hydrogen 3.202 N/A GLN 113.A NE2 HIS 201.A O no hydrogen 3.330 N/A HIS 118.A ND1 TYR 297.A OH no hydrogen 3.011 N/A ARG 120.A N ASP 117.A OD2 no hydrogen 3.277 N/A ARG 120.A NH1 ASP 117.A OD1 no hydrogen 3.295 N/A ARG 120.A NH1 ASP 117.A OD2 no hydrogen 3.547 N/A MET 121.A N ASP 117.A O no hydrogen 3.233 N/A SER 122.A N HIS 118.A O no hydrogen 2.887 N/A SER 122.A OG TYR 297.A O no hydrogen 2.677 N/A TYR 123.A N GLU 119.A O no hydrogen 2.786 N/A LEU 124.A N ARG 120.A O no hydrogen 2.793 N/A LEU 125.A N MET 121.A O no hydrogen 3.019 N/A TYR 126.A N SER 122.A O no hydrogen 3.038 N/A TYR 126.A OH GLU 306.A OE1 no hydrogen 2.882 N/A GLN 127.A N TYR 123.A O no hydrogen 3.053 N/A GLN 127.A NE2 TYR 123.A O no hydrogen 3.557 N/A GLN 127.A NE2 CYS 156.A O no hydrogen 2.692 N/A MET 128.A N LEU 124.A O no hydrogen 2.827 N/A LEU 129.A N LEU 125.A O no hydrogen 2.980 N/A CYS 130.A N TYR 126.A O no hydrogen 3.052 N/A CYS 130.A SG TYR 126.A O no hydrogen 3.241 N/A GLY 131.A N GLN 127.A O no hydrogen 3.022 N/A ILE 132.A N MET 128.A O no hydrogen 2.904 N/A LYS 133.A N LEU 129.A O no hydrogen 2.992 N/A LYS 133.A NZ ASP 290.A OD1 no hydrogen 2.673 N/A HIS 134.A N CYS 130.A O no hydrogen 3.234 N/A HIS 134.A N GLY 131.A O no hydrogen 3.191 N/A LEU 135.A N GLY 131.A O no hydrogen 3.053 N/A HIS 136.A N ILE 132.A O no hydrogen 3.017 N/A HIS 136.A NE2 ASP 187.A OD2 no hydrogen 2.469 N/A SER 137.A N LYS 133.A O no hydrogen 3.117 N/A SER 137.A OG LYS 133.A O no hydrogen 2.909 N/A ALA 138.A N HIS 134.A O no hydrogen 3.271 N/A ALA 138.A N LEU 135.A O no hydrogen 3.163 N/A GLY 139.A N HIS 136.A O no hydrogen 2.897 N/A ILE 140.A N LEU 135.A O no hydrogen 2.823 N/A HIS 142.A N ASP 187.A OD2 no hydrogen 3.275 N/A ARG 143.A N ASP 187.A OD1 no hydrogen 2.749 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 3.014 N/A LYS 146.A N ASN 149.A OD1 no hydrogen 3.058 N/A ASN 149.A N LYS 146.A O no hydrogen 3.304 N/A ASN 149.A ND2 ASP 144.A O no hydrogen 2.902 N/A VAL 151.A N LYS 159.A O no hydrogen 2.832 N/A VAL 152.A N ALA 106.A O no hydrogen 2.666 N/A LYS 153.A N THR 157.A O no hydrogen 3.044 N/A LYS 153.A NZ LEU 103.A O no hydrogen 3.436 N/A SER 154.A N ASP 105.A OD2 no hydrogen 2.877 N/A CYS 156.A N LYS 153.A O no hydrogen 2.650 N/A THR 157.A N ASP 155.A OD1 no hydrogen 3.388 N/A THR 157.A OG1 ASP 155.A OD1 no hydrogen 2.689 N/A LYS 159.A N VAL 151.A O no hydrogen 2.950 N/A LYS 159.A NZ LYS 76.A O no hydrogen 3.127 N/A LYS 159.A NZ GLU 102.A OE1 no hydrogen 2.857 N/A ILE 160.A N ASN 77.A O no hydrogen 2.945 N/A LEU 161.A N ASN 149.A O no hydrogen 2.830 N/A THR 168.A OG1 ASP 144.A OD2 no hydrogen 2.693 N/A ARG 169.A NE GLY 207.A O no hydrogen 3.007 N/A TYR 171.A OH GLU 197.A OE1 no hydrogen 2.160 N/A ARG 172.A N ARG 169.A O no hydrogen 2.869 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.556 N/A ILE 177.A N ALA 173.A O no hydrogen 2.918 N/A LEU 178.A N PRO 174.A O no hydrogen 2.821 N/A GLY 179.A N VAL 176.A O no hydrogen 2.783 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.655 N/A ASN 185.A ND2 PRO 283.A O no hydrogen 2.579 N/A ASN 185.A ND2 ARG 286.A O no hydrogen 3.655 N/A VAL 186.A N LYS 183.A O no hydrogen 3.237 N/A ASP 187.A N GLU 184.A O no hydrogen 3.254 N/A SER 190.A OG TYR 171.A O no hydrogen 2.538 N/A VAL 191.A N ASP 187.A O no hydrogen 3.182 N/A GLY 192.A N ILE 188.A O no hydrogen 3.288 N/A CYS 193.A N TRP 189.A O no hydrogen 3.113 N/A CYS 193.A SG TRP 189.A O no hydrogen 3.460 N/A ILE 194.A N SER 190.A O no hydrogen 3.009 N/A MET 195.A N VAL 191.A O no hydrogen 2.774 N/A GLY 196.A N GLY 192.A O no hydrogen 2.789 N/A GLU 197.A N CYS 193.A O no hydrogen 3.146 N/A MET 198.A N ILE 194.A O no hydrogen 2.816 N/A VAL 199.A N MET 195.A O no hydrogen 3.167 N/A ARG 200.A N GLY 196.A O no hydrogen 3.037 N/A ARG 200.A NE LEU 254.A O no hydrogen 2.772 N/A HIS 201.A N GLU 197.A O no hydrogen 2.758 N/A HIS 201.A ND1 ILE 112.A O no hydrogen 2.558 N/A LYS 202.A NZ ILE 203.A O no hydrogen 3.200 N/A ASP 212.A N ASP 209.A O no hydrogen 3.201 N/A ASP 212.A N ASP 209.A OD2 no hydrogen 2.801 N/A GLN 213.A N ASP 209.A O no hydrogen 3.178 N/A TRP 214.A N TYR 210.A O no hydrogen 2.761 N/A LYS 216.A N ASP 212.A O no hydrogen 3.237 N/A LYS 216.A NZ ASP 212.A OD1 no hydrogen 3.440 N/A LYS 216.A NZ ASP 212.A OD2 no hydrogen 3.242 N/A VAL 217.A N GLN 213.A O no hydrogen 3.143 N/A ILE 218.A N TRP 214.A O no hydrogen 3.071 N/A GLU 219.A N ASN 215.A O no hydrogen 2.826 N/A GLN 220.A N VAL 217.A O no hydrogen 3.064 N/A LEU 221.A N VAL 217.A O no hydrogen 2.726 N/A GLY 222.A N ILE 218.A O no hydrogen 2.810 N/A THR 223.A N TYR 246.A O no hydrogen 2.948 N/A THR 223.A OG1 PRO 244.A O no hydrogen 3.361 N/A MET 229.A N PRO 226.A O no hydrogen 3.155 N/A LYS 230.A N GLU 227.A O no hydrogen 2.911 N/A LYS 231.A NZ ASP 282.A OD1 no hydrogen 2.915 N/A ARG 237.A N GLN 233.A O no hydrogen 3.148 N/A ARG 237.A NE GLU 241.A OE2 no hydrogen 3.027 N/A ARG 237.A NH2 GLU 241.A OE2 no hydrogen 3.344 N/A VAL 240.A N VAL 236.A O no hydrogen 2.916 N/A GLU 241.A N ARG 237.A O no hydrogen 2.540 N/A ASN 242.A N TYR 239.A O no hydrogen 3.302 N/A ASN 242.A ND2 ASN 238.A O no hydrogen 2.422 N/A ARG 243.A N VAL 240.A O no hydrogen 3.393 N/A ARG 243.A NH1 TYR 239.A O no hydrogen 3.272 N/A LYS 245.A NZ GLU 241.A O no hydrogen 2.659 N/A LYS 245.A NZ ARG 243.A O no hydrogen 3.374 N/A TYR 246.A N THR 223.A OG1 no hydrogen 3.138 N/A LEU 249.A N GLN 220.A O no hydrogen 2.856 N/A LEU 254.A N THR 250.A O no hydrogen 2.944 N/A PHE 255.A N PHE 251.A O no hydrogen 2.798 N/A LEU 259.A N PRO 256.A O no hydrogen 3.071 N/A PHE 260.A N ASP 257.A O no hydrogen 2.868 N/A SER 269.A OG LEU 266.A O no hydrogen 2.694 N/A GLN 270.A NE2 LYS 267.A O no hydrogen 3.620 N/A ALA 271.A N LYS 267.A O no hydrogen 3.312 N/A ARG 272.A N ALA 268.A O no hydrogen 2.841 N/A ARG 272.A NH2 ASP 257.A OD1 no hydrogen 2.489 N/A ASP 273.A N SER 269.A O no hydrogen 2.786 N/A LEU 274.A N GLN 270.A O no hydrogen 3.000 N/A LEU 275.A N ALA 271.A O no hydrogen 3.122 N/A SER 276.A N ARG 272.A O no hydrogen 2.914 N/A SER 276.A N ASP 273.A O no hydrogen 2.942 N/A SER 276.A OG ARG 272.A O no hydrogen 3.399 N/A SER 276.A OG ASP 273.A O no hydrogen 2.417 N/A LYS 277.A N ASP 273.A O no hydrogen 3.206 N/A LYS 277.A N LEU 274.A O no hydrogen 3.048 N/A LYS 277.A NZ ASP 273.A OD1 no hydrogen 3.278 N/A MET 278.A N LEU 274.A O no hydrogen 2.758 N/A LEU 279.A N LEU 275.A O no hydrogen 3.160 N/A ALA 284.A N ASP 282.A OD1 no hydrogen 3.229 N/A LYS 285.A N ASP 282.A O no hydrogen 2.768 N/A ARG 286.A N PRO 283.A O no hydrogen 3.177 N/A ARG 286.A NE VAL 280.A O no hydrogen 3.034 N/A ARG 286.A NH1 GLU 175.A OE2 no hydrogen 2.740 N/A ARG 286.A NH1 ASN 185.A O no hydrogen 2.869 N/A ARG 286.A NH2 GLU 175.A OE1 no hydrogen 3.112 N/A ARG 286.A NH2 VAL 280.A O no hydrogen 3.020 N/A ILE 287.A N LYS 277.A O no hydrogen 3.002 N/A SER 288.A OG ASP 291.A OD2 no hydrogen 3.396 N/A ALA 292.A N SER 288.A O no hydrogen 3.110 N/A LEU 293.A N VAL 289.A O no hydrogen 2.958 N/A GLN 294.A N ASP 290.A O no hydrogen 2.818 N/A HIS 295.A N ALA 292.A O no hydrogen 3.363 N/A HIS 295.A NE2 ASP 273.A OD2 no hydrogen 2.884 N/A TYR 297.A N HIS 295.A ND1 no hydrogen 3.034 N/A TYR 297.A OH HIS 118.A ND1 no hydrogen 3.011 N/A ILE 298.A N HIS 295.A O no hydrogen 2.871 N/A ASN 299.A N HIS 295.A O no hydrogen 2.649 N/A TRP 301.A N ILE 298.A O no hydrogen 3.081 N/A TRP 301.A NE1 SER 122.A OG no hydrogen 3.073 N/A TYR 302.A N ASN 299.A O no hydrogen 3.182 N/A TYR 302.A OH GLU 308.A OE2 no hydrogen 2.602 N/A ASP 303.A N TYR 126.A OH no hydrogen 3.198 N/A ALA 305.A N ASP 303.A OD2 no hydrogen 2.970 N/A VAL 307.A N ASP 303.A O no hydrogen 3.173 N/A GLU 308.A N PRO 304.A O no hydrogen 3.025 N/A TYR 315.A N ALA 138.A O no hydrogen 2.671 N/A TYR 315.A OH ASP 320.A OD2 no hydrogen 2.446 N/A GLU 328.A N THR 325.A OG1 no hydrogen 2.992 N/A LYS 330.A N ILE 326.A O no hydrogen 3.120 N/A LYS 330.A NZ PHE 94.A O no hydrogen 3.321 N/A GLU 331.A N GLU 327.A O no hydrogen 3.188 N/A ILE 333.A N TRP 329.A O no hydrogen 2.926 N/A TYR 334.A N LYS 330.A O no hydrogen 2.742 N/A LYS 335.A N GLU 331.A O no hydrogen 3.129 N/A VAL 337.A N ILE 333.A O no hydrogen 2.829 N/A ASN 339.A N GLU 336.A O no hydrogen 2.901 N/A SER 340.A N MET 338.A O no hydrogen 2.639 N/A