Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pyx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG THR 23.A OG1 no hydrogen 3.278 N/A THR 4.A N TYR 22.A O no hydrogen 2.969 N/A THR 5.A OG1 SER 21.A OG no hydrogen 2.495 N/A VAL 6.A N VAL 20.A O no hydrogen 2.815 N/A ALA 8.A N GLN 18.A O no hydrogen 2.608 N/A THR 9.A N PHE 81.A O no hydrogen 2.973 N/A GLY 11.A N ARG 79.A O no hydrogen 3.006 N/A GLN 12.A NE2 ARG 68.A O no hydrogen 3.688 N/A GLN 12.A NE2 LEU 70.A O no hydrogen 3.662 N/A ARG 16.A NH1 ASP 15.A O no hydrogen 3.411 N/A GLN 18.A N ALA 8.A O no hydrogen 2.716 N/A VAL 20.A N VAL 6.A O no hydrogen 2.751 N/A SER 21.A OG THR 5.A OG1 no hydrogen 2.495 N/A TYR 22.A N THR 4.A O no hydrogen 2.997 N/A THR 23.A N LYS 40.A O no hydrogen 2.831 N/A THR 23.A OG1 SER 1.A OG no hydrogen 3.278 N/A THR 23.A OG1 LYS 2.A O no hydrogen 2.644 N/A LYS 26.A N GLN 38.A O no hydrogen 3.076 N/A ILE 28.A N VAL 36.A O no hydrogen 2.754 N/A GLY 29.A N VAL 36.A O no hydrogen 3.272 N/A GLY 31.A N GLY 34.A O no hydrogen 3.080 N/A GLY 34.A N GLY 31.A O no hydrogen 3.063 N/A VAL 35.A N LYS 52.A O no hydrogen 3.279 N/A VAL 36.A N GLY 29.A O no hydrogen 2.953 N/A TYR 37.A N ILE 50.A O no hydrogen 2.779 N/A GLN 38.A N LYS 26.A O no hydrogen 2.803 N/A ALA 39.A N VAL 48.A O no hydrogen 3.005 N/A LYS 40.A N THR 23.A O no hydrogen 2.817 N/A LEU 41.A N GLU 46.A O no hydrogen 2.763 N/A CYS 42.A N SER 21.A O no hydrogen 2.750 N/A SER 44.A OG ASP 43.A OD2 no hydrogen 3.499 N/A SER 44.A OG GLU 46.A OE1 no hydrogen 2.941 N/A GLY 45.A N LEU 41.A O no hydrogen 2.793 N/A VAL 48.A N ALA 39.A O no hydrogen 2.874 N/A ALA 49.A N LEU 93.A O no hydrogen 2.854 N/A ILE 50.A N TYR 37.A O no hydrogen 2.680 N/A LYS 51.A N LEU 91.A O no hydrogen 2.883 N/A LYS 51.A NZ GLU 63.A OE2 no hydrogen 2.765 N/A LYS 52.A N VAL 35.A O no hydrogen 2.759 N/A VAL 53.A N LEU 89.A O no hydrogen 3.009 N/A GLN 55.A N VAL 87.A O no hydrogen 2.868 N/A GLN 55.A NE2 ASP 56.A O no hydrogen 2.841 N/A GLN 55.A NE2 PHE 59.A O no hydrogen 3.253 N/A ARG 58.A N ASP 56.A OD1 no hydrogen 3.296 N/A PHE 59.A N ASP 56.A O no hydrogen 3.039 N/A ASN 61.A ND2 GLN 55.A OE1 no hydrogen 2.833 N/A LEU 64.A N ASN 61.A OD1 no hydrogen 2.782 N/A GLN 65.A N ASN 61.A O no hydrogen 2.920 N/A ILE 66.A N ARG 62.A O no hydrogen 2.907 N/A MET 67.A N GLU 63.A O no hydrogen 2.954 N/A ARG 68.A N LEU 64.A O no hydrogen 3.041 N/A ARG 68.A NE GLY 11.A O no hydrogen 2.935 N/A ARG 68.A NH2 PRO 10.A O no hydrogen 3.482 N/A ARG 68.A NH2 GLY 11.A O no hydrogen 3.552 N/A LYS 69.A N ILE 66.A O no hydrogen 2.977 N/A LEU 70.A N MET 67.A O no hydrogen 3.140 N/A ASP 71.A N TYR 132.A OH no hydrogen 2.911 N/A ASN 74.A ND2 HIS 72.A NE2 no hydrogen 3.298 N/A ILE 75.A N HIS 72.A O no hydrogen 3.084 N/A VAL 76.A N LEU 159.A O no hydrogen 2.996 N/A ARG 77.A NE ASP 94.A OD2 no hydrogen 3.022 N/A ARG 77.A NH2 ASP 94.A OD1 no hydrogen 2.805 N/A ARG 77.A NH2 ASP 94.A OD2 no hydrogen 3.384 N/A ARG 79.A N VAL 92.A O no hydrogen 2.667 N/A ARG 79.A NE ASP 94.A OD1 no hydrogen 2.643 N/A ARG 79.A NH1 GLU 46.A OE1 no hydrogen 3.470 N/A ARG 79.A NH2 GLU 46.A OE2 no hydrogen 2.583 N/A ARG 79.A NH2 ASP 94.A OD1 no hydrogen 3.128 N/A TYR 80.A N VAL 92.A O no hydrogen 3.451 N/A TYR 80.A OH GLN 18.A OE1 no hydrogen 2.784 N/A PHE 81.A N THR 9.A O no hydrogen 3.078 N/A PHE 82.A N ASN 90.A O no hydrogen 3.087 N/A SER 84.A N TYR 88.A O no hydrogen 2.942 N/A SER 84.A OG ASN 90.A OD1 no hydrogen 2.974 N/A TYR 88.A N SER 84.A O no hydrogen 2.702 N/A LEU 89.A N VAL 53.A O no hydrogen 2.834 N/A ASN 90.A N PHE 82.A O no hydrogen 2.791 N/A LEU 91.A N LYS 51.A O no hydrogen 2.855 N/A VAL 92.A N TYR 80.A O no hydrogen 2.797 N/A LEU 93.A N ALA 49.A O no hydrogen 2.738 N/A ASP 94.A N ARG 77.A O no hydrogen 3.126 N/A GLU 98.A N LEU 150.A O no hydrogen 2.903 N/A VAL 100.A N LEU 148.A O no hydrogen 2.790 N/A TYR 101.A N PRO 145.A O no hydrogen 3.339 N/A ARG 102.A N THR 99.A OG1 no hydrogen 2.900 N/A VAL 103.A N THR 99.A O no hydrogen 3.122 N/A ALA 104.A N VAL 100.A O no hydrogen 2.839 N/A ARG 105.A N TYR 101.A O no hydrogen 2.801 N/A HIS 106.A N ARG 102.A O no hydrogen 2.962 N/A TYR 107.A N VAL 103.A O no hydrogen 3.209 N/A SER 108.A N ALA 104.A O no hydrogen 2.919 N/A SER 108.A OG GLY 214.A O no hydrogen 2.822 N/A ARG 109.A N ARG 105.A O no hydrogen 2.999 N/A ALA 110.A N TYR 107.A O no hydrogen 3.162 N/A LYS 111.A N SER 108.A O no hydrogen 3.252 N/A GLN 112.A N TYR 107.A O no hydrogen 2.768 N/A GLN 112.A NE2 ALA 110.A O no hydrogen 3.231 N/A TYR 118.A N PRO 115.A O no hydrogen 2.785 N/A VAL 119.A N PRO 115.A O no hydrogen 3.418 N/A LYS 120.A N VAL 116.A O no hydrogen 2.872 N/A LYS 120.A NZ GLU 299.A OE1 no hydrogen 2.467 N/A LEU 121.A N ILE 117.A O no hydrogen 3.080 N/A TYR 122.A N TYR 118.A O no hydrogen 2.830 N/A MET 123.A N VAL 119.A O no hydrogen 3.032 N/A TYR 124.A N LYS 120.A O no hydrogen 2.930 N/A TYR 124.A OH LEU 316.A O no hydrogen 2.657 N/A GLN 125.A N LEU 121.A O no hydrogen 3.103 N/A GLN 125.A NE2 LEU 121.A O no hydrogen 2.867 N/A GLN 125.A NE2 ALA 155.A O no hydrogen 2.867 N/A LEU 126.A N TYR 122.A O no hydrogen 2.902 N/A PHE 127.A N MET 123.A O no hydrogen 2.864 N/A ARG 128.A N TYR 124.A O no hydrogen 2.971 N/A ARG 128.A NE GLU 323.A OE1 no hydrogen 3.114 N/A ARG 128.A NH1 ASN 318.A OD1 no hydrogen 2.905 N/A ARG 128.A NH2 ASN 318.A OD1 no hydrogen 3.181 N/A ARG 128.A NH2 GLU 323.A OE1 no hydrogen 3.236 N/A ARG 128.A NH2 GLU 323.A OE2 no hydrogen 2.622 N/A SER 129.A N GLN 125.A O no hydrogen 3.031 N/A SER 129.A OG LEU 126.A O no hydrogen 2.639 N/A LEU 130.A N LEU 126.A O no hydrogen 2.981 N/A ALA 131.A N PHE 127.A O no hydrogen 2.878 N/A TYR 132.A N ARG 128.A O no hydrogen 3.012 N/A ILE 133.A N SER 129.A O no hydrogen 2.980 N/A HIS 134.A N LEU 130.A O no hydrogen 2.820 N/A HIS 134.A NE2 ASP 200.A OD2 no hydrogen 2.836 N/A SER 135.A N ALA 131.A O no hydrogen 3.087 N/A SER 135.A N TYR 132.A O no hydrogen 3.173 N/A SER 135.A OG TYR 132.A O no hydrogen 2.647 N/A SER 135.A OG GLN 322.A OE1 no hydrogen 2.866 N/A PHE 136.A N ILE 133.A O no hydrogen 2.959 N/A GLY 137.A N HIS 134.A O no hydrogen 2.668 N/A ILE 138.A N ILE 133.A O no hydrogen 3.100 N/A CYS 139.A N LYS 166.A O no hydrogen 2.965 N/A CYS 139.A SG ASP 200.A OD1 no hydrogen 3.577 N/A CYS 139.A SG ASP 200.A OD2 no hydrogen 3.392 N/A HIS 140.A N ASP 200.A OD2 no hydrogen 2.824 N/A HIS 140.A NE2 CYS 160.A O no hydrogen 2.900 N/A ARG 141.A N ASP 200.A OD1 no hydrogen 2.933 N/A ARG 141.A NE SER 164.A O no hydrogen 2.794 N/A ARG 141.A NH1 TYR 195.A OH no hydrogen 2.710 N/A ARG 141.A NH2 SER 164.A O no hydrogen 3.130 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.039 N/A LYS 144.A NZ ASP 142.A OD1 no hydrogen 3.522 N/A LYS 144.A NZ ASP 142.A OD2 no hydrogen 3.010 N/A LYS 144.A NZ SER 180.A OG no hydrogen 3.108 N/A GLN 146.A N GLN 146.A OE1 no hydrogen 2.754 N/A ASN 147.A N LYS 144.A O no hydrogen 2.946 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.739 N/A ASN 147.A ND2 ASP 142.A OD2 no hydrogen 3.101 N/A LEU 148.A N PRO 145.A O no hydrogen 3.202 N/A LEU 149.A N LYS 158.A O no hydrogen 2.855 N/A LEU 150.A N GLU 98.A O no hydrogen 2.639 N/A ASP 151.A N VAL 156.A O no hydrogen 2.975 N/A THR 154.A N ASP 151.A OD1 no hydrogen 3.122 N/A ALA 155.A N ASP 151.A O no hydrogen 2.746 N/A LEU 157.A N GLN 125.A OE1 no hydrogen 3.027 N/A LYS 158.A N LEU 149.A O no hydrogen 2.787 N/A LYS 158.A NZ CYS 73.A O no hydrogen 2.604 N/A LEU 159.A N ASN 74.A O no hydrogen 2.872 N/A CYS 160.A N ASN 147.A O no hydrogen 2.962 N/A CYS 160.A SG ASN 147.A O no hydrogen 3.514 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 3.239 N/A ALA 165.A N PHE 162.A O no hydrogen 3.233 N/A LYS 166.A N CYS 139.A O no hydrogen 2.948 N/A LYS 166.A NZ ASN 174.A OD1 no hydrogen 2.345 N/A LEU 168.A N GLY 137.A O no hydrogen 2.819 N/A GLU 172.A N VAL 169.A O no hydrogen 2.936 N/A ASN 174.A N THR 193.A O no hydrogen 2.794 N/A CYS 179.A SG SER 180.A O no hydrogen 3.994 N/A SER 180.A N ASP 142.A OD1 no hydrogen 3.305 N/A SER 180.A OG ASP 142.A OD1 no hydrogen 3.083 N/A TYR 183.A N SER 180.A O no hydrogen 2.957 N/A TYR 183.A OH GLU 210.A OE1 no hydrogen 2.534 N/A TYR 183.A OH GLU 210.A OE2 no hydrogen 3.410 N/A ARG 184.A N ARG 181.A O no hydrogen 3.299 N/A ARG 184.A NH1 SER 176.A O no hydrogen 2.822 N/A ARG 184.A NH1 ILE 178.A O no hydrogen 3.285 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.757 N/A LEU 188.A N ALA 185.A O no hydrogen 2.852 N/A ILE 189.A N ALA 185.A O no hydrogen 3.181 N/A PHE 190.A N PRO 186.A O no hydrogen 2.849 N/A GLY 191.A N LEU 188.A O no hydrogen 2.920 N/A ALA 192.A N GLU 187.A O no hydrogen 2.735 N/A THR 193.A OG1 ASN 174.A O no hydrogen 3.112 N/A TYR 195.A OH VAL 175.A O no hydrogen 2.614 N/A SER 198.A N THR 196.A OG1 no hydrogen 3.257 N/A SER 198.A OG THR 196.A OG1 no hydrogen 2.816 N/A ILE 199.A N THR 196.A O no hydrogen 3.225 N/A ASP 200.A N SER 197.A O no hydrogen 2.934 N/A VAL 201.A N SER 198.A O no hydrogen 3.138 N/A TRP 202.A N SER 198.A O no hydrogen 3.215 N/A SER 203.A N ILE 199.A O no hydrogen 3.174 N/A SER 203.A OG TYR 183.A O no hydrogen 2.694 N/A SER 203.A OG ILE 199.A O no hydrogen 3.241 N/A ALA 204.A N ASP 200.A O no hydrogen 2.899 N/A GLY 205.A N VAL 201.A O no hydrogen 2.876 N/A CYS 206.A N TRP 202.A O no hydrogen 2.931 N/A CYS 206.A SG TYR 182.A O no hydrogen 3.854 N/A CYS 206.A SG TRP 202.A O no hydrogen 3.436 N/A VAL 207.A N SER 203.A O no hydrogen 2.934 N/A LEU 208.A N ALA 204.A O no hydrogen 2.983 N/A ALA 209.A N GLY 205.A O no hydrogen 2.986 N/A GLU 210.A N CYS 206.A O no hydrogen 3.010 N/A LEU 211.A N VAL 207.A O no hydrogen 2.901 N/A LEU 212.A N LEU 208.A O no hydrogen 2.963 N/A LEU 213.A N ALA 209.A O no hydrogen 2.796 N/A GLY 214.A N GLU 210.A O no hydrogen 2.851 N/A SER 222.A N ASP 225.A OD2 no hydrogen 3.248 N/A SER 222.A OG ASP 225.A OD2 no hydrogen 2.900 N/A ASP 225.A N SER 222.A OG no hydrogen 3.199 N/A GLN 226.A N SER 222.A O no hydrogen 3.140 N/A GLN 226.A NE2 GLY 220.A O no hydrogen 3.186 N/A LEU 227.A N GLY 223.A O no hydrogen 2.870 N/A VAL 228.A N VAL 224.A O no hydrogen 2.954 N/A GLU 229.A N ASP 225.A O no hydrogen 2.970 N/A ILE 230.A N GLN 226.A O no hydrogen 2.837 N/A ILE 231.A N LEU 227.A O no hydrogen 2.810 N/A LYS 232.A N VAL 228.A O no hydrogen 2.762 N/A LYS 232.A NZ GLU 229.A OE1 no hydrogen 3.197 N/A LYS 232.A NZ GLU 229.A OE2 no hydrogen 3.377 N/A VAL 233.A N ILE 230.A O no hydrogen 3.048 N/A LEU 234.A N ILE 230.A O no hydrogen 2.810 N/A GLY 235.A N ILE 231.A O no hydrogen 2.721 N/A THR 236.A N ILE 253.A O no hydrogen 2.923 N/A THR 236.A OG1 PRO 251.A O no hydrogen 3.200 N/A THR 236.A OG1 ILE 253.A O no hydrogen 3.340 N/A THR 238.A N GLN 241.A OE1 no hydrogen 2.799 N/A GLN 241.A N THR 238.A OG1 no hydrogen 3.026 N/A ILE 242.A N THR 238.A O no hydrogen 2.990 N/A ARG 243.A N ARG 239.A O no hydrogen 3.220 N/A GLU 244.A N GLU 240.A O no hydrogen 3.021 N/A GLU 244.A N GLN 241.A O no hydrogen 3.140 N/A MET 245.A N GLN 241.A O no hydrogen 3.210 N/A ASN 246.A N ILE 242.A O no hydrogen 2.875 N/A ILE 253.A N THR 236.A OG1 no hydrogen 2.765 N/A HIS 256.A N VAL 233.A O no hydrogen 3.196 N/A LYS 260.A N PRO 257.A O no hydrogen 2.636 N/A VAL 261.A N TRP 258.A O no hydrogen 2.840 N/A THR 266.A N ARG 263.A O no hydrogen 3.295 N/A THR 266.A OG1 ARG 263.A O no hydrogen 2.749 N/A GLU 269.A N GLU 269.A OE2 no hydrogen 2.612 N/A ILE 271.A N PRO 267.A O no hydrogen 3.153 N/A ALA 272.A N PRO 268.A O no hydrogen 2.837 N/A LEU 273.A N GLU 269.A O no hydrogen 2.878 N/A CYS 274.A N ALA 270.A O no hydrogen 3.037 N/A CYS 274.A SG ALA 270.A O no hydrogen 4.008 N/A SER 275.A N ILE 271.A O no hydrogen 3.096 N/A SER 275.A OG ALA 272.A O no hydrogen 2.646 N/A ARG 276.A N ALA 272.A O no hydrogen 3.253 N/A ARG 276.A N LEU 273.A O no hydrogen 2.955 N/A ARG 276.A NH1 GLU 279.A OE1 no hydrogen 3.166 N/A ARG 276.A NH1 ALA 284.A O no hydrogen 3.094 N/A LEU 277.A N CYS 274.A O no hydrogen 2.937 N/A LEU 278.A N CYS 274.A O no hydrogen 2.851 N/A GLU 279.A N LEU 277.A O no hydrogen 3.002 N/A TYR 280.A OH GLY 235.A O no hydrogen 2.600 N/A ALA 284.A N THR 281.A O no hydrogen 2.915 N/A ARG 285.A N PRO 282.A O no hydrogen 3.392 N/A ARG 285.A NE GLU 279.A O no hydrogen 2.783 N/A ARG 285.A NH1 GLU 187.A OE1 no hydrogen 3.506 N/A ARG 285.A NH1 GLU 187.A OE2 no hydrogen 2.810 N/A ARG 285.A NH1 SER 198.A O no hydrogen 3.226 N/A ARG 285.A NH2 GLU 187.A OE1 no hydrogen 2.799 N/A ARG 285.A NH2 GLU 187.A OE2 no hydrogen 3.541 N/A ARG 285.A NH2 GLU 279.A O no hydrogen 3.062 N/A LEU 286.A N ARG 276.A O no hydrogen 3.114 N/A THR 287.A N GLU 290.A OE2 no hydrogen 3.145 N/A GLU 290.A N THR 287.A OG1 no hydrogen 3.034 N/A ALA 291.A N THR 287.A O no hydrogen 2.949 N/A CYS 292.A N PRO 288.A O no hydrogen 2.944 N/A CYS 292.A SG TYR 124.A O no hydrogen 3.844 N/A CYS 292.A SG PRO 288.A O no hydrogen 3.680 N/A ALA 293.A N LEU 289.A O no hydrogen 3.329 N/A ALA 293.A N GLU 290.A O no hydrogen 3.128 N/A HIS 294.A N ALA 291.A O no hydrogen 2.910 N/A PHE 296.A N HIS 294.A ND1 no hydrogen 3.023 N/A PHE 297.A N HIS 294.A O no hydrogen 3.092 N/A ASP 298.A N SER 295.A O no hydrogen 2.820 N/A LEU 300.A N PHE 297.A O no hydrogen 2.788 N/A ARG 301.A N ASP 298.A O no hydrogen 2.668 N/A ARG 301.A NH1 CYS 292.A O no hydrogen 3.060 N/A ARG 301.A NH2 HIS 294.A O no hydrogen 2.991 N/A ARG 301.A NH2 ASP 298.A OD1 no hydrogen 2.764 N/A ASP 302.A N GLU 299.A O no hydrogen 3.317 N/A ASN 304.A N ASP 302.A OD1 no hydrogen 2.862 N/A VAL 305.A N ASP 302.A O no hydrogen 3.212 N/A LEU 307.A N ARG 311.A O no hydrogen 2.781 N/A ASN 309.A ND2 ASP 153.A O no hydrogen 3.248 N/A GLY 310.A N LEU 307.A O no hydrogen 2.791 N/A ARG 311.A N ASN 309.A OD1 no hydrogen 2.849 N/A THR 313.A OG1 PRO 314.A O no hydrogen 3.469 N/A THR 320.A N GLU 323.A OE2 no hydrogen 3.323 N/A GLU 323.A N THR 320.A OG1 no hydrogen 3.094 N/A LEU 324.A N THR 320.A O no hydrogen 3.110 N/A SER 325.A N GLN 322.A O no hydrogen 3.099 N/A SER 325.A OG GLN 322.A O no hydrogen 2.580 N/A ASN 327.A N LEU 324.A O no hydrogen 2.747 N/A LEU 330.A N ASN 327.A O no hydrogen 3.006 N/A ALA 331.A N PRO 328.A O no hydrogen 2.987 N/A THR 332.A N PRO 329.A O no hydrogen 2.823 N/A THR 332.A OG1 PRO 329.A O no hydrogen 3.086 N/A ILE 333.A N LEU 330.A O no hydrogen 2.796 N/A LEU 334.A N LEU 330.A O no hydrogen 2.831 N/A ILE 335.A N ALA 331.A O no hydrogen 3.006 N/A ALA 339.A N PRO 336.A O no hydrogen 2.922 N/A ARG 340.A N PRO 337.A O no hydrogen 2.953 N/A ARG 340.A NE ILE 335.A O no hydrogen 2.808 N/A ARG 340.A NH2 ILE 335.A O no hydrogen 2.741 N/A