Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kxx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 1.A O no hydrogen 2.434 N/A ARG 10.A N ASP 8.A OD1 no hydrogen 3.214 N/A TRP 11.A N ASP 8.A O no hydrogen 3.116 N/A GLU 12.A N ASP 8.A O no hydrogen 2.819 N/A LEU 13.A N ALA 90.A O no hydrogen 3.012 N/A ARG 15.A NH1 PRO 96.A O no hydrogen 2.726 N/A ARG 15.A NH2 CYS 91.A O no hydrogen 3.393 N/A ARG 15.A NH2 GLN 93.A O no hydrogen 2.824 N/A ARG 15.A NH2 PRO 96.A O no hydrogen 3.065 N/A ARG 17.A N PRO 14.A O no hydrogen 2.669 N/A ARG 17.A NE ASP 16.A O no hydrogen 2.872 N/A ARG 17.A NH2 ASP 16.A O no hydrogen 2.963 N/A VAL 19.A N GLU 36.A O no hydrogen 2.920 N/A GLY 21.A N LEU 34.A O no hydrogen 2.724 N/A LEU 24.A N VAL 32.A O no hydrogen 2.651 N/A GLY 27.A N GLY 30.A O no hydrogen 2.834 N/A GLY 30.A N GLY 27.A O no hydrogen 3.187 N/A GLN 31.A N MET 55.A O no hydrogen 2.647 N/A VAL 32.A N GLY 25.A O no hydrogen 3.204 N/A VAL 33.A N VAL 53.A O no hydrogen 2.965 N/A LEU 34.A N LYS 22.A O no hydrogen 2.778 N/A ALA 35.A N VAL 51.A O no hydrogen 2.955 N/A GLU 36.A N VAL 19.A O no hydrogen 3.093 N/A ALA 37.A N THR 49.A O no hydrogen 2.973 N/A ILE 38.A N ARG 17.A O no hydrogen 2.818 N/A GLY 39.A N ARG 47.A O no hydrogen 3.039 N/A LYS 44.A N ASP 41.A O no hydrogen 3.229 N/A LYS 44.A N ASP 41.A OD1 no hydrogen 2.901 N/A ARG 47.A N LYS 44.A O no hydrogen 3.073 N/A THR 49.A N ALA 37.A O no hydrogen 3.117 N/A VAL 51.A N ALA 35.A O no hydrogen 2.948 N/A ALA 52.A N VAL 101.A O no hydrogen 3.140 N/A VAL 53.A N VAL 33.A O no hydrogen 2.807 N/A LYS 54.A N VAL 99.A O no hydrogen 2.857 N/A LYS 54.A NZ GLU 71.A OE1 no hydrogen 3.170 N/A LYS 54.A NZ GLU 71.A OE2 no hydrogen 2.830 N/A LYS 54.A NZ ASP 181.A OD1 no hydrogen 3.388 N/A MET 55.A N GLN 31.A O no hydrogen 2.851 N/A ALA 60.A N LYS 57.A O no hydrogen 2.886 N/A THR 61.A OG1 ASP 64.A OD1 no hydrogen 2.487 N/A ASP 64.A N THR 61.A OG1 no hydrogen 3.379 N/A LEU 65.A N THR 61.A O no hydrogen 3.253 N/A LEU 65.A N GLU 62.A O no hydrogen 3.022 N/A SER 66.A N GLU 62.A O no hydrogen 3.114 N/A SER 66.A OG LYS 63.A O no hydrogen 2.549 N/A SER 66.A OG ASP 67.A OD1 no hydrogen 3.269 N/A ASP 67.A N LYS 63.A O no hydrogen 2.902 N/A LEU 68.A N ASP 64.A O no hydrogen 3.240 N/A ILE 69.A N LEU 65.A O no hydrogen 3.011 N/A SER 70.A N SER 66.A O no hydrogen 2.699 N/A SER 70.A OG GLY 183.A O no hydrogen 3.391 N/A GLU 71.A N ASP 67.A O no hydrogen 2.810 N/A GLU 73.A N ILE 69.A O no hydrogen 3.152 N/A MET 74.A N SER 70.A O no hydrogen 2.927 N/A MET 75.A N GLU 71.A O no hydrogen 3.154 N/A LYS 76.A N GLU 73.A O no hydrogen 3.271 N/A LYS 76.A NZ ASP 8.A OD2 no hydrogen 3.052 N/A LYS 76.A NZ GLU 73.A OE2 no hydrogen 2.663 N/A ILE 78.A N MET 74.A O no hydrogen 3.203 N/A HIS 81.A N ASN 86.A OD1 no hydrogen 3.058 N/A ASN 83.A N HIS 81.A ND1 no hydrogen 2.824 N/A ASN 83.A ND2 MET 177.A O no hydrogen 3.230 N/A ILE 84.A N HIS 81.A O no hydrogen 3.142 N/A ILE 85.A N ILE 179.A O no hydrogen 2.914 N/A ASN 86.A ND2 HIS 81.A O no hydrogen 3.551 N/A ASN 86.A ND2 GLU 102.A OE1 no hydrogen 2.639 N/A LEU 88.A N ILE 100.A O no hydrogen 2.844 N/A GLY 89.A N ILE 100.A O no hydrogen 3.265 N/A ALA 90.A N TRP 11.A O no hydrogen 2.928 N/A CYS 91.A N TYR 98.A O no hydrogen 2.883 N/A CYS 91.A SG LEU 13.A O no hydrogen 3.539 N/A THR 92.A N GLU 12.A OE2 no hydrogen 2.907 N/A THR 92.A OG1 GLU 12.A OE1 no hydrogen 2.558 N/A GLN 93.A NE2 LEU 5.A O no hydrogen 2.999 N/A TYR 98.A N CYS 91.A O no hydrogen 3.021 N/A VAL 99.A N LYS 54.A O no hydrogen 3.078 N/A ILE 100.A N GLY 89.A O no hydrogen 2.726 N/A VAL 101.A N ALA 52.A O no hydrogen 3.009 N/A GLU 102.A N ASN 86.A O no hydrogen 3.109 N/A SER 105.A OG GLU 173.A OE1 no hydrogen 2.726 N/A LYS 106.A N VAL 171.A O no hydrogen 2.781 N/A LYS 106.A NZ ASN 175.A OD1 no hydrogen 2.755 N/A LEU 109.A N VAL 169.A O no hydrogen 2.659 N/A ARG 110.A NH2 GLU 232.A OE2 no hydrogen 3.502 N/A GLU 111.A N ASN 108.A OD1 no hydrogen 2.617 N/A TYR 112.A N ASN 108.A O no hydrogen 2.813 N/A TYR 112.A OH ASN 175.A OD1 no hydrogen 3.316 N/A LEU 113.A N LEU 109.A O no hydrogen 2.868 N/A GLN 114.A N ARG 110.A O no hydrogen 3.064 N/A GLN 114.A NE2 GLY 237.A O no hydrogen 3.122 N/A ALA 115.A N GLU 111.A O no hydrogen 2.985 N/A ARG 116.A NH1 TYR 112.A O no hydrogen 3.511 N/A GLU 122.A N GLU 122.A OE2 no hydrogen 2.728 N/A SER 124.A N LEU 121.A O no hydrogen 3.017 N/A SER 124.A OG LEU 121.A O no hydrogen 2.582 N/A TYR 125.A N GLU 122.A O no hydrogen 3.059 N/A ASN 126.A ND2 TYR 123.A O no hydrogen 3.426 N/A ASN 130.A N GLU 117.A OE2 no hydrogen 3.423 N/A GLU 133.A N ASN 130.A O no hydrogen 3.014 N/A GLN 134.A NE2 PRO 118.A O no hydrogen 2.915 N/A GLN 134.A NE2 GLY 120.A O no hydrogen 3.465 N/A LEU 135.A N GLU 117.A O no hydrogen 3.039 N/A SER 136.A N ASP 139.A OD2 no hydrogen 3.054 N/A SER 136.A OG ASP 139.A OD2 no hydrogen 2.743 N/A LEU 140.A N SER 136.A O no hydrogen 3.182 N/A VAL 141.A N SER 137.A O no hydrogen 3.025 N/A SER 142.A N LYS 138.A O no hydrogen 2.807 N/A CYS 143.A N ASP 139.A O no hydrogen 3.068 N/A CYS 143.A SG ASP 139.A O no hydrogen 3.479 N/A ALA 144.A N LEU 140.A O no hydrogen 3.222 N/A TYR 145.A N VAL 141.A O no hydrogen 2.997 N/A GLN 146.A N SER 142.A O no hydrogen 2.887 N/A VAL 147.A N CYS 143.A O no hydrogen 3.002 N/A ALA 148.A N ALA 144.A O no hydrogen 2.919 N/A ARG 149.A N TYR 145.A O no hydrogen 2.674 N/A GLY 150.A N GLN 146.A O no hydrogen 2.922 N/A MET 151.A N VAL 147.A O no hydrogen 2.812 N/A GLU 152.A N ALA 148.A O no hydrogen 2.804 N/A TYR 153.A N GLY 150.A O no hydrogen 3.110 N/A TYR 153.A OH ILE 78.A O no hydrogen 2.905 N/A LEU 154.A N GLY 150.A O no hydrogen 3.251 N/A ALA 155.A N MET 151.A O no hydrogen 3.053 N/A SER 156.A N GLU 152.A O no hydrogen 3.219 N/A SER 156.A OG TYR 153.A O no hydrogen 2.506 N/A LYS 157.A N TYR 153.A O no hydrogen 3.076 N/A LYS 158.A N ALA 155.A O no hydrogen 2.706 N/A CYS 159.A N LEU 154.A O no hydrogen 2.909 N/A ILE 160.A N ARG 186.A O no hydrogen 2.902 N/A HIS 161.A N ASP 222.A OD1 no hydrogen 2.738 N/A HIS 161.A NE2 ALA 180.A O no hydrogen 3.030 N/A ARG 162.A NE LEU 184.A O no hydrogen 2.959 N/A ASP 163.A N HIS 161.A ND1 no hydrogen 3.303 N/A ALA 166.A N GLU 232.A OE1 no hydrogen 2.955 N/A ARG 167.A NH2 ASP 163.A OD1 no hydrogen 3.484 N/A ASN 168.A N ALA 165.A O no hydrogen 2.965 N/A ASN 168.A ND2 ASP 163.A O no hydrogen 2.777 N/A VAL 169.A N ALA 166.A O no hydrogen 3.235 N/A LEU 170.A N LYS 178.A O no hydrogen 2.962 N/A VAL 171.A N GLY 107.A O no hydrogen 2.781 N/A THR 172.A N VAL 176.A O no hydrogen 3.258 N/A ASP 174.A N THR 172.A OG1 no hydrogen 3.309 N/A ASN 175.A N THR 172.A O no hydrogen 2.845 N/A VAL 176.A N THR 172.A OG1 no hydrogen 3.086 N/A LYS 178.A N LEU 170.A O no hydrogen 3.116 N/A LYS 178.A NZ LYS 82.A O no hydrogen 3.467 N/A LYS 178.A NZ ILE 84.A O no hydrogen 3.516 N/A LYS 178.A NZ GLU 102.A OE2 no hydrogen 2.764 N/A ILE 179.A N ASN 83.A O no hydrogen 2.850 N/A ALA 180.A N ASN 168.A O no hydrogen 2.766 N/A ARG 186.A N ILE 160.A O no hydrogen 2.995 N/A ARG 186.A NE TYR 194.A OH no hydrogen 3.193 N/A ARG 186.A NH1 GLY 183.A O no hydrogen 2.891 N/A ARG 186.A NH1 ALA 185.A O no hydrogen 2.783 N/A ILE 188.A N LYS 158.A O no hydrogen 2.710 N/A ILE 191.A N ILE 188.A O no hydrogen 2.757 N/A TYR 194.A N TYR 217.A O no hydrogen 2.916 N/A LYS 196.A N ARG 215.A O no hydrogen 3.003 N/A LYS 196.A NZ THR 197.A O no hydrogen 2.767 N/A THR 197.A OG1 ASN 199.A O no hydrogen 3.229 N/A ARG 201.A NH1 ASP 67.A OD1 no hydrogen 3.517 N/A ARG 201.A NH1 ASP 67.A OD2 no hydrogen 3.100 N/A LYS 205.A NZ PRO 240.A O no hydrogen 2.953 N/A LYS 205.A NZ TYR 241.A O no hydrogen 3.295 N/A LYS 205.A NZ VAL 244.A O no hydrogen 3.493 N/A TRP 206.A N PRO 203.A O no hydrogen 3.224 N/A MET 207.A N VAL 204.A O no hydrogen 3.345 N/A GLU 210.A N GLU 210.A OE2 no hydrogen 2.857 N/A LEU 212.A N ALA 208.A O no hydrogen 2.797 N/A PHE 213.A N PRO 209.A O no hydrogen 2.931 N/A ASP 214.A N GLU 210.A O no hydrogen 2.756 N/A ARG 215.A N ALA 211.A O no hydrogen 3.052 N/A ARG 215.A NE LYS 196.A O no hydrogen 2.893 N/A ARG 215.A NH2 LYS 196.A O no hydrogen 3.313 N/A ILE 216.A N GLU 210.A O no hydrogen 3.287 N/A TYR 217.A N TYR 194.A O no hydrogen 2.874 N/A THR 218.A N SER 221.A OG no hydrogen 3.100 N/A GLN 220.A NE2 PRO 281.A O no hydrogen 2.753 N/A GLN 220.A NE2 ARG 284.A O no hydrogen 2.833 N/A GLN 220.A NE2 PRO 285.A O no hydrogen 3.372 N/A SER 221.A N THR 218.A O no hydrogen 2.631 N/A SER 221.A OG GLU 210.A OE1 no hydrogen 2.617 N/A ASP 222.A N THR 218.A O no hydrogen 3.389 N/A VAL 223.A N HIS 219.A O no hydrogen 3.325 N/A TRP 224.A N GLN 220.A O no hydrogen 3.330 N/A SER 225.A N SER 221.A O no hydrogen 3.318 N/A SER 225.A OG TRP 206.A O no hydrogen 2.682 N/A PHE 226.A N ASP 222.A O no hydrogen 2.931 N/A GLY 227.A N VAL 223.A O no hydrogen 2.935 N/A VAL 228.A N TRP 224.A O no hydrogen 3.232 N/A LEU 229.A N SER 225.A O no hydrogen 2.842 N/A LEU 230.A N PHE 226.A O no hydrogen 2.889 N/A TRP 231.A N GLY 227.A O no hydrogen 3.403 N/A TRP 231.A NE1 ASP 260.A O no hydrogen 3.289 N/A GLU 232.A N VAL 228.A O no hydrogen 3.204 N/A ILE 233.A N LEU 229.A O no hydrogen 2.915 N/A PHE 234.A N LEU 230.A O no hydrogen 2.971 N/A THR 235.A N GLU 232.A O no hydrogen 2.961 N/A THR 235.A OG1 TRP 231.A O no hydrogen 2.612 N/A THR 235.A OG1 GLU 232.A O no hydrogen 2.763 N/A GLY 237.A N GLU 232.A O no hydrogen 3.084 N/A GLY 238.A N THR 235.A OG1 no hydrogen 3.119 N/A GLU 248.A N PRO 245.A O no hydrogen 3.056 N/A LEU 249.A N PRO 245.A O no hydrogen 3.204 N/A LEU 249.A N VAL 246.A O no hydrogen 3.146 N/A LYS 251.A NZ GLU 255.A OE1 no hydrogen 2.675 N/A LYS 251.A NZ GLU 255.A OE2 no hydrogen 3.427 N/A LEU 252.A N GLU 248.A O no hydrogen 3.494 N/A LEU 253.A N LEU 249.A O no hydrogen 2.926 N/A GLU 255.A N LYS 251.A O no hydrogen 3.218 N/A GLY 256.A N LEU 253.A O no hydrogen 2.974 N/A HIS 257.A N LEU 252.A O no hydrogen 2.887 N/A ARG 258.A NE TRP 277.A O no hydrogen 2.787 N/A ARG 258.A NH1 HIS 257.A O no hydrogen 2.632 N/A ARG 258.A NH2 TRP 277.A O no hydrogen 2.755 N/A LYS 261.A NZ PRO 262.A O no hydrogen 3.559 N/A LYS 261.A NZ CYS 265.A O no hydrogen 3.306 N/A CYS 265.A SG THR 266.A O no hydrogen 3.815 N/A TYR 270.A N THR 266.A O no hydrogen 3.100 N/A TYR 270.A OH MET 259.A O no hydrogen 2.690 N/A MET 271.A N ASN 267.A O no hydrogen 2.969 N/A MET 273.A N LEU 269.A O no hydrogen 3.329 N/A ARG 274.A N TYR 270.A O no hydrogen 3.017 N/A ARG 274.A NH1 TYR 270.A OH no hydrogen 2.906 N/A ASP 275.A N MET 271.A O no hydrogen 2.840 N/A CYS 276.A N MET 272.A O no hydrogen 2.979 N/A CYS 276.A SG MET 272.A O no hydrogen 3.168 N/A TRP 277.A N MET 273.A O no hydrogen 3.087 N/A GLN 283.A N VAL 280.A O no hydrogen 2.990 N/A ARG 284.A N PRO 281.A O no hydrogen 3.211 N/A ARG 284.A NE HIS 278.A O no hydrogen 2.738 N/A ARG 284.A NH1 GLU 210.A OE1 no hydrogen 3.013 N/A ARG 284.A NH1 GLU 210.A OE2 no hydrogen 3.290 N/A ARG 284.A NH1 GLN 220.A O no hydrogen 3.133 N/A ARG 284.A NH2 GLU 210.A OE2 no hydrogen 2.636 N/A ARG 284.A NH2 HIS 278.A O no hydrogen 3.265 N/A ARG 284.A NH2 ALA 279.A O no hydrogen 3.388 N/A THR 286.A N GLN 289.A OE1 no hydrogen 2.673 N/A GLN 289.A N THR 286.A OG1 no hydrogen 3.280 N/A LEU 290.A N THR 286.A O no hydrogen 2.797 N/A VAL 291.A N PHE 287.A O no hydrogen 3.113 N/A GLU 292.A N LYS 288.A O no hydrogen 3.422 N/A ASP 293.A N GLN 289.A O no hydrogen 2.820 N/A LEU 294.A N LEU 290.A O no hydrogen 2.728 N/A ASP 295.A N VAL 291.A O no hydrogen 2.907 N/A ARG 296.A N GLU 292.A O no hydrogen 3.054 N/A ILE 297.A N ASP 293.A O no hydrogen 2.909 N/A VAL 298.A N LEU 294.A O no hydrogen 3.000 N/A ALA 299.A N ASP 295.A O no hydrogen 3.058 N/A LEU 300.A N ARG 296.A O no hydrogen 3.061 N/A THR 301.A N ILE 297.A O no hydrogen 2.892 N/A THR 301.A OG1 ILE 297.A O no hydrogen 2.964 N/A SER 302.A N VAL 298.A O no hydrogen 2.902 N/A ASN 303.A N ALA 299.A O no hydrogen 3.153 N/A ASN 303.A ND2 ALA 299.A O no hydrogen 3.614 N/A GLU 305.A N ASN 303.A O no hydrogen 2.840 N/A