Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pff_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 4.A OE1 no hydrogen 3.262 N/A GLU 4.A N SER 1.A OG no hydrogen 3.144 N/A GLY 5.A N SER 1.A O no hydrogen 2.960 N/A LYS 6.A N ALA 2.A O no hydrogen 3.178 N/A ILE 7.A N LEU 3.A O no hydrogen 3.052 N/A ALA 8.A N GLU 4.A O no hydrogen 2.985 N/A LYS 9.A N GLY 5.A O no hydrogen 3.137 N/A LEU 10.A N LYS 6.A O no hydrogen 3.074 N/A GLU 11.A N ILE 7.A O no hydrogen 2.980 N/A HIS 12.A N LYS 9.A O no hydrogen 3.365 N/A HIS 12.A ND1 ASP 133.A OD1 no hydrogen 2.696 N/A ALA 13.A N ALA 8.A O no hydrogen 2.797 N/A ALA 15.A N SER 160.A O no hydrogen 2.972 N/A CYS 16.A SG VAL 158.A O no hydrogen 3.477 N/A ALA 17.A N VAL 158.A O no hydrogen 2.745 N/A ALA 18.A N GLU 4.A OE2 no hydrogen 2.918 N/A THR 19.A N GLY 156.A O no hydrogen 2.861 N/A THR 19.A OG1 SER 21.A O no hydrogen 2.814 N/A ALA 20.A N ALA 179.A O no hydrogen 2.892 N/A GLY 24.A N SER 21.A OG no hydrogen 2.906 N/A ALA 25.A N SER 21.A O no hydrogen 2.973 N/A ILE 26.A N GLY 22.A O no hydrogen 3.039 N/A ALA 27.A N MET 23.A O no hydrogen 2.725 N/A ALA 28.A N GLY 24.A O no hydrogen 2.881 N/A SER 29.A N ALA 25.A O no hydrogen 3.180 N/A SER 29.A N ILE 26.A O no hydrogen 3.202 N/A SER 29.A OG ALA 25.A O no hydrogen 2.970 N/A VAL 30.A N ILE 26.A O no hydrogen 2.897 N/A TRP 31.A N ALA 27.A O no hydrogen 2.919 N/A THR 32.A OG1 ALA 28.A O no hydrogen 2.488 N/A PHE 33.A N VAL 30.A O no hydrogen 3.237 N/A LYS 35.A N ASP 38.A OD2 no hydrogen 2.907 N/A LYS 35.A NZ ASP 38.A OD1 no hydrogen 2.962 N/A GLY 37.A N GLY 62.A O no hydrogen 2.869 N/A ASP 38.A N LYS 35.A O no hydrogen 2.996 N/A HIS 39.A N ASN 83.A O no hydrogen 2.887 N/A HIS 39.A ND1 THR 84.A OG1 no hydrogen 2.662 N/A HIS 39.A NE2 ASP 66.A OD2 no hydrogen 2.735 N/A LEU 40.A N GLU 64.A O no hydrogen 2.829 N/A ILE 41.A N ILE 86.A O no hydrogen 2.931 N/A SER 42.A N ASP 66.A O no hydrogen 2.926 N/A SER 42.A OG ASP 43.A O no hydrogen 2.975 N/A ASP 43.A N TYR 88.A O no hydrogen 3.021 N/A CYS 45.A N ASP 43.A OD1 no hydrogen 3.039 N/A CYS 45.A SG ASP 44.A OD1 no hydrogen 3.524 N/A TYR 47.A N GLU 90.A OE2 no hydrogen 3.048 N/A CYS 49.A SG TYR 47.A OH no hydrogen 3.862 N/A HIS 51.A N TYR 47.A O no hydrogen 3.272 N/A ALA 52.A N GLY 48.A O no hydrogen 3.257 N/A LEU 53.A N CYS 49.A O no hydrogen 3.055 N/A PHE 54.A N THR 50.A O no hydrogen 3.102 N/A GLU 55.A N HIS 51.A O no hydrogen 2.646 N/A HIS 56.A N ALA 52.A O no hydrogen 2.972 N/A GLN 57.A N ALA 52.A O no hydrogen 3.387 N/A LEU 58.A N LEU 53.A O no hydrogen 2.931 N/A ARG 59.A NH2 VAL 65.A O no hydrogen 2.847 N/A LYS 60.A N HIS 56.A O no hydrogen 3.239 N/A LYS 60.A NZ GLN 57.A OE1 no hydrogen 3.043 N/A PHE 61.A N LEU 58.A O no hydrogen 3.055 N/A GLY 62.A N ARG 59.A O no hydrogen 3.255 N/A VAL 63.A N LEU 58.A O no hydrogen 3.191 N/A GLU 64.A N ASP 38.A O no hydrogen 2.966 N/A ASP 66.A N LEU 40.A O no hydrogen 3.027 N/A ILE 68.A N SER 42.A O no hydrogen 2.852 N/A MET 70.A N ASP 43.A OD2 no hydrogen 2.837 N/A ALA 71.A N ASP 69.A OD1 no hydrogen 3.024 N/A VAL 72.A N ASP 69.A O no hydrogen 3.239 N/A ASN 75.A N VAL 72.A O no hydrogen 3.137 N/A ASN 75.A ND2 ASP 69.A O no hydrogen 2.886 N/A GLU 77.A N GLN 108.A OE1 no hydrogen 2.996 N/A LYS 78.A N GLY 74.A O no hydrogen 3.031 N/A LYS 78.A NZ ASN 75.A OD1 no hydrogen 3.213 N/A HIS 79.A N ILE 76.A O no hydrogen 2.999 N/A LEU 80.A N GLU 77.A O no hydrogen 3.310 N/A LYS 81.A N THR 84.A OG1 no hydrogen 2.812 N/A LYS 81.A NZ GLU 64.A OE1 no hydrogen 2.890 N/A ASN 83.A ND2 GLY 37.A O no hydrogen 2.833 N/A ASN 83.A ND2 GLU 64.A OE1 no hydrogen 3.226 N/A THR 84.A N LYS 81.A O no hydrogen 3.060 N/A THR 84.A OG1 HIS 39.A ND1 no hydrogen 2.662 N/A THR 84.A OG1 LYS 81.A O no hydrogen 3.221 N/A ARG 85.A N HIS 39.A O no hydrogen 2.897 N/A ARG 85.A NE ASP 38.A OD1 no hydrogen 3.178 N/A VAL 87.A N LEU 116.A O no hydrogen 2.895 N/A TYR 88.A N ILE 41.A O no hydrogen 2.843 N/A PHE 89.A N ILE 118.A O no hydrogen 3.156 N/A ALA 93.A N LYS 98.A O no hydrogen 2.730 N/A ASN 94.A ND2 CYS 45.A O no hydrogen 2.579 N/A ASN 94.A ND2 GLU 90.A OE1 no hydrogen 2.540 N/A LYS 98.A NZ ASP 43.A OD1 no hydrogen 3.207 N/A LYS 98.A NZ ASP 43.A OD2 no hydrogen 2.716 N/A LYS 98.A NZ ASP 69.A OD1 no hydrogen 2.842 N/A ILE 100.A N THR 91.A OG1 no hydrogen 3.018 N/A ILE 102.A N GLN 240.A OE1 no hydrogen 2.930 N/A ASP 104.A N ASP 101.A OD2 no hydrogen 3.031 N/A ALA 105.A N ASP 101.A O no hydrogen 2.808 N/A VAL 106.A N ILE 102.A O no hydrogen 2.940 N/A LYS 107.A N GLU 103.A O no hydrogen 3.023 N/A GLN 108.A N ASP 104.A O no hydrogen 2.946 N/A GLN 108.A NE2 ASP 104.A OD2 no hydrogen 2.990 N/A ALA 109.A N ALA 105.A O no hydrogen 3.001 N/A ARG 110.A N VAL 106.A O no hydrogen 2.867 N/A ARG 110.A NH1 ILE 115.A O no hydrogen 2.810 N/A ARG 110.A NH1 ASP 137.A OD2 no hydrogen 3.514 N/A ARG 110.A NH2 GLY 135.A O no hydrogen 2.982 N/A ARG 110.A NH2 ASP 137.A OD2 no hydrogen 2.848 N/A LYS 111.A N GLN 108.A O no hydrogen 3.058 N/A LYS 111.A NZ GLU 77.A OE1 no hydrogen 2.528 N/A GLN 112.A N ALA 109.A O no hydrogen 3.239 N/A GLN 112.A NE2 LYS 81.A O no hydrogen 2.676 N/A LEU 116.A N ARG 85.A O no hydrogen 2.935 N/A VAL 117.A N ASP 137.A OD2 no hydrogen 2.954 N/A ILE 118.A N VAL 87.A O no hydrogen 2.828 N/A VAL 119.A N ILE 138.A O no hydrogen 2.969 N/A ASP 120.A N PHE 89.A O no hydrogen 2.970 N/A ASN 121.A N VAL 140.A O no hydrogen 2.931 N/A ASN 121.A ND2 GLU 11.A OE1 no hydrogen 2.885 N/A ASN 121.A ND2 THR 129.A O no hydrogen 2.958 N/A THR 122.A N ASP 120.A OD2 no hydrogen 2.959 N/A THR 122.A OG1 ASP 120.A OD2 no hydrogen 2.528 N/A SER 125.A N ASN 121.A O no hydrogen 2.830 N/A SER 125.A OG ALA 124.A O no hydrogen 2.653 N/A ILE 127.A N SER 125.A OG no hydrogen 3.082 N/A LEU 128.A N SER 125.A O no hydrogen 3.080 N/A THR 129.A N SER 125.A O no hydrogen 3.197 N/A THR 129.A OG1 GLN 240.A O no hydrogen 2.795 N/A ASN 130.A ND2 GLU 11.A OE2 no hydrogen 3.105 N/A ASN 130.A ND2 PRO 126.A O no hydrogen 2.973 N/A ASP 133.A N ASN 130.A O no hydrogen 2.955 N/A LEU 134.A N PRO 131.A O no hydrogen 2.937 N/A GLY 135.A N LEU 132.A O no hydrogen 3.053 N/A VAL 136.A N PRO 131.A O no hydrogen 3.325 N/A ASP 137.A N VAL 117.A O no hydrogen 2.906 N/A ILE 138.A N VAL 117.A O no hydrogen 3.086 N/A VAL 139.A N CYS 159.A O no hydrogen 2.991 N/A VAL 140.A N VAL 119.A O no hydrogen 2.929 N/A HIS 141.A N LEU 157.A O no hydrogen 2.937 N/A HIS 141.A NE2 GLU 11.A OE1 no hydrogen 2.632 N/A SER 142.A N THR 122.A OG1 no hydrogen 2.843 N/A ALA 143.A N ALA 155.A O no hydrogen 2.827 N/A THR 144.A OG1 VAL 153.A O no hydrogen 3.023 N/A LYS 145.A NZ LEU 274.A O no hydrogen 2.717 N/A TYR 146.A OH SER 246.A OG no hydrogen 2.769 N/A ASN 148.A N ALA 143.A O no hydrogen 2.918 N/A ASN 148.A ND2 HIS 150.A O no hydrogen 3.000 N/A ASN 148.A ND2 ASP 152.A OD1 no hydrogen 3.363 N/A GLY 156.A N THR 19.A O no hydrogen 2.983 N/A LEU 157.A N HIS 141.A O no hydrogen 3.030 N/A VAL 158.A N ALA 17.A O no hydrogen 2.782 N/A CYS 159.A N VAL 139.A O no hydrogen 2.855 N/A SER 160.A N ALA 15.A O no hydrogen 3.075 N/A SER 160.A OG ASP 137.A O no hydrogen 2.586 N/A ARG 161.A NE ASP 163.A OD1 no hydrogen 3.216 N/A ARG 161.A NH2 ASP 163.A OD1 no hydrogen 3.377 N/A ARG 161.A NH2 ASP 163.A OD2 no hydrogen 3.473 N/A ALA 162.A N GLU 14.A OE1 no hydrogen 2.987 N/A ILE 165.A N ARG 161.A O no hydrogen 2.995 N/A ALA 166.A N ALA 162.A O no hydrogen 2.831 N/A LYS 167.A N ASP 163.A O no hydrogen 3.444 N/A VAL 168.A N ILE 164.A O no hydrogen 2.927 N/A LYS 169.A N ILE 165.A O no hydrogen 2.917 N/A LYS 169.A NZ GLU 4.A OE1 no hydrogen 2.755 N/A SER 170.A N ALA 166.A O no hydrogen 3.020 N/A SER 170.A OG ALA 166.A O no hydrogen 2.942 N/A GLN 171.A N LYS 167.A O no hydrogen 2.816 N/A GLY 172.A N LYS 167.A O no hydrogen 3.236 N/A ILE 173.A N VAL 168.A O no hydrogen 2.764 N/A LYS 174.A N LYS 169.A O no hydrogen 3.022 N/A ASP 175.A N GLN 171.A O no hydrogen 2.924 N/A ILE 176.A N GLN 171.A O no hydrogen 2.821 N/A THR 177.A N GLY 172.A O no hydrogen 2.995 N/A THR 177.A OG1 GLY 172.A O no hydrogen 2.664 N/A ALA 179.A N THR 177.A OG1 no hydrogen 3.051 N/A ILE 180.A N GLY 178.A O no hydrogen 2.917 N/A HIS 184.A N SER 182.A OG no hydrogen 3.155 N/A ALA 186.A N SER 182.A O no hydrogen 2.827 N/A TRP 187.A N PRO 183.A O no hydrogen 3.062 N/A LEU 188.A N HIS 184.A O no hydrogen 3.147 N/A ILE 189.A N ASP 185.A O no hydrogen 2.832 N/A THR 190.A N ALA 186.A O no hydrogen 2.899 N/A THR 190.A OG1 ALA 186.A O no hydrogen 2.986 N/A ARG 191.A N TRP 187.A O no hydrogen 3.025 N/A GLY 192.A N LEU 188.A O no hydrogen 2.911 N/A THR 193.A N ILE 189.A O no hydrogen 3.115 N/A THR 193.A N THR 190.A O no hydrogen 3.372 N/A THR 193.A OG1 THR 190.A O no hydrogen 2.655 N/A LEU 194.A N ARG 191.A O no hydrogen 3.134 N/A THR 195.A N GLY 192.A O no hydrogen 3.108 N/A THR 195.A OG1 GLY 192.A O no hydrogen 3.315 N/A LEU 196.A N THR 193.A O no hydrogen 3.456 N/A ARG 199.A N THR 195.A O no hydrogen 2.945 N/A ARG 199.A NE THR 195.A OG1 no hydrogen 2.884 N/A ARG 199.A NH1 TYR 146.A O no hydrogen 2.546 N/A ARG 199.A NH2 TYR 146.A O no hydrogen 3.185 N/A ARG 199.A NH2 ILE 147.A O no hydrogen 3.152 N/A ARG 199.A NH2 GLY 192.A O no hydrogen 2.886 N/A ARG 199.A NH2 THR 195.A OG1 no hydrogen 3.359 N/A VAL 200.A N LEU 196.A O no hydrogen 2.939 N/A LYS 201.A N ASP 197.A O no hydrogen 3.090 N/A LYS 201.A NZ ASP 197.A OD2 no hydrogen 2.782 N/A ARG 202.A N MET 198.A O no hydrogen 3.002 N/A ALA 203.A N ARG 199.A O no hydrogen 3.108 N/A ALA 204.A N VAL 200.A O no hydrogen 2.979 N/A GLU 205.A N LYS 201.A O no hydrogen 2.845 N/A ASN 206.A N ARG 202.A O no hydrogen 2.895 N/A ASN 206.A ND2 GLY 312.A O no hydrogen 2.967 N/A ASN 206.A ND2 GLU 314.A O no hydrogen 2.855 N/A ALA 207.A N ALA 203.A O no hydrogen 2.767 N/A GLN 208.A N ALA 204.A O no hydrogen 2.995 N/A GLN 208.A NE2 GLU 212.A OE1 no hydrogen 3.071 N/A GLN 208.A NE2 GLY 227.A O no hydrogen 3.306 N/A LYS 209.A N GLU 205.A O no hydrogen 3.506 N/A VAL 210.A N ASN 206.A O no hydrogen 2.865 N/A ALA 211.A N ALA 207.A O no hydrogen 2.744 N/A GLU 212.A N GLN 208.A O no hydrogen 3.041 N/A PHE 213.A N LYS 209.A O no hydrogen 3.013 N/A LEU 214.A N VAL 210.A O no hydrogen 2.867 N/A HIS 215.A N ALA 211.A O no hydrogen 2.872 N/A GLU 216.A N GLU 212.A O no hydrogen 3.217 N/A GLU 216.A N PHE 213.A O no hydrogen 3.203 N/A HIS 217.A N LEU 214.A O no hydrogen 3.154 N/A VAL 220.A N HIS 217.A O no hydrogen 3.098 N/A LYS 221.A N ASP 251.A O no hydrogen 2.724 N/A LYS 222.A NZ ASP 230.A O no hydrogen 3.250 N/A TYR 224.A N ALA 249.A O no hydrogen 2.669 N/A TYR 224.A OH ASP 251.A OD2 no hydrogen 2.627 N/A TYR 225.A OH GLY 245.A O no hydrogen 2.731 N/A LEU 228.A N TYR 225.A O no hydrogen 3.035 N/A HIS 231.A N LEU 228.A O no hydrogen 2.933 N/A HIS 231.A NE2 LEU 97.A O no hydrogen 2.817 N/A HIS 234.A N HIS 231.A O no hydrogen 2.954 N/A HIS 234.A ND1 PRO 226.A O no hydrogen 2.873 N/A ALA 237.A N GLY 233.A O no hydrogen 2.757 N/A LYS 238.A N HIS 234.A O no hydrogen 2.887 N/A LYS 239.A N ILE 236.A O no hydrogen 3.148 N/A LYS 239.A NZ ASP 101.A OD1 no hydrogen 2.811 N/A GLN 240.A N ILE 236.A O no hydrogen 3.293 N/A GLN 240.A N ALA 237.A O no hydrogen 3.174 N/A GLN 240.A NE2 ILE 100.A O no hydrogen 2.739 N/A MET 241.A N ALA 237.A O no hydrogen 2.787 N/A LYS 242.A N LEU 128.A O no hydrogen 2.852 N/A SER 246.A OG TYR 146.A OH no hydrogen 2.769 N/A ILE 248.A N LEU 309.A O no hydrogen 2.796 N/A ALA 249.A N TYR 224.A O no hydrogen 3.041 N/A PHE 250.A N ILE 307.A O no hydrogen 2.994 N/A ASP 251.A N LYS 222.A O no hydrogen 2.859 N/A VAL 252.A N ASN 305.A O no hydrogen 3.184 N/A GLY 254.A N VAL 252.A O no hydrogen 3.036 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.837 N/A ALA 258.A N GLY 254.A O no hydrogen 3.178 N/A LYS 259.A N LEU 255.A O no hydrogen 2.960 N/A LYS 260.A N GLU 256.A O no hydrogen 3.162 N/A LYS 260.A NZ LEU 329.A O no hydrogen 3.539 N/A VAL 261.A N LYS 257.A O no hydrogen 3.010 N/A LEU 262.A N ALA 258.A O no hydrogen 2.893 N/A ASP 263.A N LYS 259.A O no hydrogen 2.915 N/A ASN 264.A N VAL 261.A O no hydrogen 2.830 N/A ASN 264.A ND2 LYS 260.A O no hydrogen 2.988 N/A CYS 265.A N LEU 262.A O no hydrogen 3.396 N/A CYS 265.A SG VAL 261.A O no hydrogen 3.619 N/A HIS 266.A N ASP 322.A OD1 no hydrogen 2.918 N/A HIS 266.A N ASP 322.A OD2 no hydrogen 2.909 N/A VAL 268.A N ASP 322.A OD2 no hydrogen 2.794 N/A SER 269.A N SER 279.A O no hydrogen 3.095 N/A ALA 271.A N ILE 281.A O no hydrogen 3.114 N/A GLY 275.A N SER 310.A OG no hydrogen 3.156 N/A GLY 276.A N LYS 145.A O no hydrogen 2.915 N/A SER 279.A N GLU 314.A OE2 no hydrogen 2.739 N/A SER 279.A OG GLU 314.A OE1 no hydrogen 2.716 N/A SER 279.A OG GLU 314.A OE2 no hydrogen 3.554 N/A LEU 280.A N SER 310.A O no hydrogen 2.881 N/A ILE 281.A N SER 269.A O no hydrogen 2.871 N/A GLN 282.A N ARG 308.A O no hydrogen 2.959 N/A SER 286.A N HIS 283.A O no hydrogen 3.243 N/A SER 286.A OG HIS 283.A O no hydrogen 3.362 N/A MET 287.A N HIS 283.A O no hydrogen 2.837 N/A MET 287.A N PRO 284.A O no hydrogen 3.252 N/A THR 288.A N PRO 284.A O no hydrogen 2.931 N/A THR 288.A OG1 PRO 284.A O no hydrogen 3.203 N/A HIS 289.A N PRO 284.A O no hydrogen 2.774 N/A VAL 292.A N HIS 289.A O no hydrogen 2.948 N/A LYS 294.A NZ GLU 298.A OE2 no hydrogen 2.628 N/A GLU 296.A N PRO 293.A O no hydrogen 2.897 N/A ARG 297.A N PRO 293.A O no hydrogen 3.112 N/A ARG 297.A NH1 HIS 289.A O no hydrogen 3.412 N/A ARG 297.A NH2 ASP 304.A OD1 no hydrogen 3.004 N/A GLU 298.A N LYS 294.A O no hydrogen 3.033 N/A ALA 299.A N GLU 295.A O no hydrogen 2.914 N/A ALA 300.A N GLU 296.A O no hydrogen 3.277 N/A GLY 301.A N GLU 298.A O no hydrogen 3.110 N/A LEU 302.A N ARG 297.A O no hydrogen 2.825 N/A ASN 305.A N THR 303.A OG1 no hydrogen 3.107 N/A LEU 306.A N THR 303.A O no hydrogen 3.435 N/A ILE 307.A N PHE 250.A O no hydrogen 2.903 N/A ARG 308.A N GLN 282.A O no hydrogen 2.866 N/A ARG 308.A NE ASN 94.A O no hydrogen 3.154 N/A LEU 309.A N ILE 248.A O no hydrogen 2.733 N/A SER 310.A N LEU 280.A O no hydrogen 2.737 N/A VAL 311.A N SER 246.A O no hydrogen 2.807 N/A GLY 312.A N SER 279.A OG no hydrogen 2.853 N/A CYS 313.A N PRO 277.A O no hydrogen 2.755 N/A CYS 313.A SG ARG 199.A O no hydrogen 3.403 N/A GLU 314.A N GLU 314.A OE1 no hydrogen 2.868 N/A GLN 317.A N ASN 315.A OD1 no hydrogen 2.939 N/A GLN 317.A NE2 ASP 321.A OD1 no hydrogen 2.903 N/A ILE 319.A N ASN 315.A O no hydrogen 3.343 N/A ILE 320.A N VAL 316.A O no hydrogen 2.903 N/A ASP 321.A N GLN 317.A O no hydrogen 2.769 N/A ASP 322.A N ASP 318.A O no hydrogen 3.141 N/A LEU 323.A N ILE 319.A O no hydrogen 3.171 N/A LYS 324.A N ILE 320.A O no hydrogen 2.892 N/A GLN 325.A N ASP 321.A O no hydrogen 3.215 N/A GLN 325.A NE2 ASN 264.A OD1 no hydrogen 3.471 N/A ALA 326.A N ASP 322.A O no hydrogen 3.233 N/A LEU 327.A N LEU 323.A O no hydrogen 2.792 N/A ASP 328.A N LYS 324.A O no hydrogen 2.919 N/A LEU 329.A N ALA 326.A O no hydrogen 3.330 N/A VAL 330.A N LEU 327.A O no hydrogen 3.041 N/A LEU 331.A N ASP 328.A O no hydrogen 3.355 N/A