Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3say_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N TYR 22.A O no hydrogen 2.905 N/A THR 5.A OG1 SER 21.A OG no hydrogen 2.529 N/A VAL 6.A N VAL 20.A O no hydrogen 2.859 N/A ALA 8.A N GLN 18.A O no hydrogen 2.744 N/A THR 9.A N PHE 81.A O no hydrogen 2.830 N/A THR 9.A OG1 ASP 15.A OD1 no hydrogen 3.566 N/A GLY 11.A N ARG 79.A O no hydrogen 2.645 N/A ARG 16.A N PRO 14.A O no hydrogen 2.678 N/A GLN 18.A N ALA 8.A O no hydrogen 2.841 N/A VAL 20.A N VAL 6.A O no hydrogen 2.870 N/A SER 21.A OG THR 5.A OG1 no hydrogen 2.529 N/A TYR 22.A N THR 4.A O no hydrogen 2.751 N/A THR 23.A N LYS 40.A O no hydrogen 2.835 N/A THR 23.A OG1 LYS 2.A O no hydrogen 2.878 N/A LYS 26.A N GLN 38.A O no hydrogen 3.068 N/A ILE 28.A N VAL 36.A O no hydrogen 2.935 N/A GLY 31.A N GLY 34.A O no hydrogen 3.082 N/A GLY 34.A N GLY 31.A O no hydrogen 3.119 N/A VAL 35.A N LYS 52.A O no hydrogen 3.178 N/A VAL 36.A N GLY 29.A O no hydrogen 3.160 N/A TYR 37.A N ILE 50.A O no hydrogen 2.852 N/A GLN 38.A N LYS 26.A O no hydrogen 2.722 N/A ALA 39.A N VAL 48.A O no hydrogen 2.960 N/A LYS 40.A N THR 23.A O no hydrogen 2.710 N/A LEU 41.A N GLU 46.A O no hydrogen 2.862 N/A CYS 42.A N SER 21.A O no hydrogen 2.933 N/A CYS 42.A SG SER 21.A O no hydrogen 3.524 N/A SER 44.A OG GLU 46.A OE1 no hydrogen 3.484 N/A VAL 48.A N ALA 39.A O no hydrogen 2.988 N/A ALA 49.A N LEU 98.A O no hydrogen 3.011 N/A ILE 50.A N TYR 37.A O no hydrogen 2.697 N/A LYS 51.A N LEU 96.A O no hydrogen 2.681 N/A LYS 51.A NZ GLU 63.A OE1 no hydrogen 3.552 N/A LYS 51.A NZ GLU 63.A OE2 no hydrogen 2.683 N/A LYS 51.A NZ ASP 166.A OD1 no hydrogen 3.372 N/A LYS 52.A N VAL 35.A O no hydrogen 2.800 N/A LYS 52.A NZ SER 85.A O no hydrogen 2.926 N/A VAL 53.A N LEU 94.A O no hydrogen 2.920 N/A GLN 55.A N VAL 92.A O no hydrogen 2.929 N/A GLN 55.A NE2 ASP 56.A O no hydrogen 3.402 N/A LEU 64.A N ASN 61.A OD1 no hydrogen 2.699 N/A GLN 65.A N ASN 61.A O no hydrogen 3.070 N/A ILE 66.A N ARG 62.A O no hydrogen 2.841 N/A MET 67.A N GLU 63.A O no hydrogen 2.904 N/A ARG 68.A N LEU 64.A O no hydrogen 3.048 N/A ARG 68.A NE GLY 11.A O no hydrogen 3.250 N/A LYS 69.A N ILE 66.A O no hydrogen 3.101 N/A LEU 70.A N MET 67.A O no hydrogen 3.289 N/A ASP 71.A N TYR 137.A OH no hydrogen 2.666 N/A HIS 72.A NE2 GLU 329.A OE1 no hydrogen 2.963 N/A CYS 73.A SG ASN 74.A OD1 no hydrogen 3.738 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 3.021 N/A ASN 74.A ND2 GLN 130.A OE1 no hydrogen 2.935 N/A ASN 74.A ND2 LEU 162.A O no hydrogen 2.819 N/A ILE 75.A N HIS 72.A O no hydrogen 3.094 N/A VAL 76.A N LEU 164.A O no hydrogen 3.112 N/A ARG 77.A N ASP 99.A OD2 no hydrogen 2.890 N/A ARG 77.A NE GLN 12.A OE1 no hydrogen 3.080 N/A ARG 79.A N VAL 97.A O no hydrogen 2.785 N/A ARG 79.A NE ASP 99.A OD1 no hydrogen 3.132 N/A ARG 79.A NH2 GLU 46.A OE2 no hydrogen 2.414 N/A ARG 79.A NH2 ASP 99.A OD1 no hydrogen 2.953 N/A TYR 80.A N VAL 97.A O no hydrogen 3.443 N/A PHE 81.A N THR 9.A O no hydrogen 2.912 N/A PHE 82.A N ASN 95.A O no hydrogen 3.046 N/A SER 84.A N TYR 93.A O no hydrogen 3.057 N/A SER 84.A OG SER 85.A O no hydrogen 2.896 N/A LYS 88.A N TYR 93.A OH no hydrogen 3.160 N/A TYR 93.A N SER 84.A O no hydrogen 2.940 N/A LEU 94.A N VAL 53.A O no hydrogen 2.831 N/A ASN 95.A N PHE 82.A O no hydrogen 2.750 N/A ASN 95.A ND2 PHE 82.A O no hydrogen 3.358 N/A ASN 95.A ND2 SER 84.A OG no hydrogen 3.111 N/A ASN 95.A ND2 TYR 93.A O no hydrogen 3.322 N/A LEU 96.A N LYS 51.A O no hydrogen 2.755 N/A VAL 97.A N TYR 80.A O no hydrogen 2.952 N/A LEU 98.A N ALA 49.A O no hydrogen 2.786 N/A ASP 99.A N ARG 77.A O no hydrogen 3.173 N/A GLU 103.A N LEU 155.A O no hydrogen 3.210 N/A VAL 105.A N LEU 153.A O no hydrogen 2.775 N/A TYR 106.A N PRO 150.A O no hydrogen 3.215 N/A ARG 107.A N THR 104.A OG1 no hydrogen 2.991 N/A VAL 108.A N THR 104.A O no hydrogen 3.041 N/A ALA 109.A N VAL 105.A O no hydrogen 3.023 N/A ARG 110.A N TYR 106.A O no hydrogen 3.085 N/A HIS 111.A N ARG 107.A O no hydrogen 3.172 N/A TYR 112.A N VAL 108.A O no hydrogen 3.408 N/A SER 113.A N ALA 109.A O no hydrogen 2.841 N/A SER 113.A OG GLY 218.A O no hydrogen 2.623 N/A ARG 114.A N ARG 110.A O no hydrogen 2.791 N/A ALA 115.A N TYR 112.A O no hydrogen 3.066 N/A LYS 116.A N SER 113.A O no hydrogen 3.036 N/A GLN 117.A N TYR 112.A O no hydrogen 2.956 N/A TYR 123.A N PRO 120.A O no hydrogen 3.050 N/A VAL 124.A N PRO 120.A O no hydrogen 3.447 N/A LYS 125.A N VAL 121.A O no hydrogen 2.976 N/A LYS 125.A NZ PHE 302.A O no hydrogen 3.445 N/A LYS 125.A NZ GLU 305.A OE1 no hydrogen 3.005 N/A LEU 126.A N ILE 122.A O no hydrogen 3.100 N/A TYR 127.A N TYR 123.A O no hydrogen 2.905 N/A MET 128.A N VAL 124.A O no hydrogen 3.047 N/A TYR 129.A N LYS 125.A O no hydrogen 3.030 N/A TYR 129.A OH LEU 322.A O no hydrogen 2.673 N/A GLN 130.A N LEU 126.A O no hydrogen 3.178 N/A GLN 130.A NE2 LEU 126.A O no hydrogen 3.088 N/A GLN 130.A NE2 ALA 160.A O no hydrogen 2.825 N/A LEU 131.A N TYR 127.A O no hydrogen 2.880 N/A PHE 132.A N MET 128.A O no hydrogen 2.952 N/A ARG 133.A N TYR 129.A O no hydrogen 3.152 N/A ARG 133.A NE GLU 329.A OE1 no hydrogen 2.976 N/A ARG 133.A NH1 ASN 324.A OD1 no hydrogen 2.989 N/A ARG 133.A NH2 ASN 324.A OD1 no hydrogen 3.256 N/A ARG 133.A NH2 GLU 329.A OE1 no hydrogen 2.911 N/A ARG 133.A NH2 GLU 329.A OE2 no hydrogen 3.161 N/A SER 134.A N GLN 130.A O no hydrogen 3.072 N/A SER 134.A OG LEU 131.A O no hydrogen 2.927 N/A LEU 135.A N LEU 131.A O no hydrogen 2.991 N/A ALA 136.A N PHE 132.A O no hydrogen 2.894 N/A TYR 137.A N ARG 133.A O no hydrogen 3.007 N/A ILE 138.A N SER 134.A O no hydrogen 3.044 N/A HIS 139.A N LEU 135.A O no hydrogen 2.920 N/A HIS 139.A NE2 ASP 204.A OD2 no hydrogen 2.761 N/A SER 140.A N ALA 136.A O no hydrogen 3.212 N/A SER 140.A N TYR 137.A O no hydrogen 3.297 N/A SER 140.A OG TYR 137.A O no hydrogen 2.607 N/A PHE 141.A N ILE 138.A O no hydrogen 3.046 N/A GLY 142.A N HIS 139.A O no hydrogen 2.917 N/A ILE 143.A N ILE 138.A O no hydrogen 3.094 N/A CYS 144.A N LYS 171.A O no hydrogen 2.887 N/A CYS 144.A SG ASP 204.A OD1 no hydrogen 3.677 N/A CYS 144.A SG ASP 204.A OD2 no hydrogen 3.410 N/A HIS 145.A N ASP 204.A OD2 no hydrogen 2.920 N/A HIS 145.A NE2 CYS 165.A O no hydrogen 2.868 N/A ARG 146.A N ASP 204.A OD1 no hydrogen 3.021 N/A ARG 146.A NE SER 169.A O no hydrogen 2.784 N/A ARG 146.A NH1 SER 169.A O no hydrogen 3.120 N/A ARG 146.A NH2 TYR 199.A OH no hydrogen 2.931 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.071 N/A LYS 149.A NZ SER 184.A OG no hydrogen 3.274 N/A ASN 152.A N LYS 149.A O no hydrogen 2.969 N/A ASN 152.A ND2 ASP 147.A O no hydrogen 2.717 N/A ASN 152.A ND2 ASP 147.A OD2 no hydrogen 3.045 N/A LEU 153.A N PRO 150.A O no hydrogen 3.253 N/A LEU 154.A N LYS 163.A O no hydrogen 2.827 N/A LEU 155.A N GLU 103.A O no hydrogen 2.964 N/A ASP 156.A N VAL 161.A O no hydrogen 3.035 N/A ASP 158.A N ASP 156.A OD1 no hydrogen 3.016 N/A THR 159.A N ASP 156.A OD1 no hydrogen 3.117 N/A THR 159.A OG1 ASP 156.A O no hydrogen 3.434 N/A ALA 160.A N ASP 156.A O no hydrogen 2.596 N/A LEU 162.A N GLN 130.A OE1 no hydrogen 3.197 N/A LYS 163.A N LEU 154.A O no hydrogen 2.761 N/A LYS 163.A NZ CYS 73.A O no hydrogen 2.671 N/A LEU 164.A N ASN 74.A O no hydrogen 2.819 N/A CYS 165.A N ASN 152.A O no hydrogen 2.935 N/A CYS 165.A SG ASN 152.A O no hydrogen 3.343 N/A GLY 168.A N ASP 166.A OD1 no hydrogen 3.039 N/A ALA 170.A N PHE 167.A O no hydrogen 3.338 N/A LYS 171.A N CYS 144.A O no hydrogen 2.963 N/A LYS 171.A NZ ASN 179.A OD1 no hydrogen 2.961 N/A GLN 172.A NE2 PHE 141.A O no hydrogen 2.483 N/A LEU 173.A N GLY 142.A O no hydrogen 3.027 N/A GLU 177.A N VAL 174.A O no hydrogen 2.858 N/A ASN 179.A N THR 197.A O no hydrogen 2.862 N/A ASN 179.A ND2 THR 197.A O no hydrogen 3.128 N/A SER 181.A OG.B ALA 196.A O no hydrogen 2.306 N/A CYS 183.A SG.A SER 184.A O no hydrogen 3.759 N/A CYS 183.A SG.A TYR 187.A O no hydrogen 3.591 N/A CYS 183.A SG.A SER 207.A OG no hydrogen 3.524 N/A CYS 183.A SG.B ARG 146.A O no hydrogen 3.311 N/A SER 184.A N ASP 147.A OD1 no hydrogen 3.205 N/A SER 184.A OG ASP 147.A OD1 no hydrogen 2.708 N/A ARG 185.A NH2 GLY 224.A O no hydrogen 3.127 N/A TYR 187.A N SER 184.A O no hydrogen 2.986 N/A TYR 187.A OH GLU 214.A OE1 no hydrogen 2.525 N/A TYR 187.A OH GLU 214.A OE2 no hydrogen 3.310 N/A ARG 188.A N ARG 185.A O no hydrogen 3.253 N/A ARG 188.A NE ILE 182.A O no hydrogen 2.829 N/A ARG 188.A NH2 CYS 183.A O no hydrogen 2.760 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.605 N/A LEU 192.A N ALA 189.A O no hydrogen 3.169 N/A ILE 193.A N ALA 189.A O no hydrogen 3.276 N/A PHE 194.A N PRO 190.A O no hydrogen 2.925 N/A GLY 195.A N LEU 192.A O no hydrogen 2.875 N/A ALA 196.A N GLU 191.A O no hydrogen 2.845 N/A TYR 199.A OH VAL 180.A O no hydrogen 2.665 N/A THR 200.A OG1 SER 202.A OG no hydrogen 3.368 N/A SER 202.A N THR 200.A OG1 no hydrogen 3.298 N/A SER 202.A OG THR 200.A OG1 no hydrogen 3.368 N/A ILE 203.A N THR 200.A O no hydrogen 3.091 N/A ASP 204.A N SER 201.A O no hydrogen 2.888 N/A TRP 206.A N SER 202.A O no hydrogen 3.269 N/A SER 207.A N ILE 203.A O no hydrogen 3.179 N/A SER 207.A OG TYR 187.A O no hydrogen 2.731 N/A SER 207.A OG ILE 203.A O no hydrogen 3.223 N/A ALA 208.A N ASP 204.A O no hydrogen 2.861 N/A GLY 209.A N VAL 205.A O no hydrogen 2.876 N/A CYS 210.A N TRP 206.A O no hydrogen 3.019 N/A CYS 210.A SG TYR 186.A O no hydrogen 3.691 N/A CYS 210.A SG TRP 206.A O no hydrogen 3.488 N/A VAL 211.A N SER 207.A O no hydrogen 2.987 N/A LEU 212.A N ALA 208.A O no hydrogen 2.889 N/A ALA 213.A N GLY 209.A O no hydrogen 3.031 N/A GLU 214.A N CYS 210.A O no hydrogen 3.040 N/A LEU 215.A N VAL 211.A O no hydrogen 2.940 N/A LEU 216.A N LEU 212.A O no hydrogen 3.115 N/A LEU 217.A N ALA 213.A O no hydrogen 2.858 N/A GLY 218.A N GLU 214.A O no hydrogen 2.767 N/A GLY 224.A N PHE 222.A O no hydrogen 3.097 N/A GLY 224.A N GLN 230.A OE1 no hydrogen 2.822 N/A ASP 225.A N ASP 229.A OD2 no hydrogen 2.806 N/A SER 226.A OG ASP 225.A OD2 no hydrogen 3.558 N/A GLN 230.A N SER 226.A O no hydrogen 2.885 N/A GLN 230.A NE2 PHE 222.A O no hydrogen 2.823 N/A LEU 231.A N GLY 227.A O no hydrogen 3.073 N/A VAL 232.A N VAL 228.A O no hydrogen 3.166 N/A GLU 233.A N ASP 229.A O no hydrogen 3.060 N/A ILE 234.A N GLN 230.A O no hydrogen 3.037 N/A ILE 235.A N LEU 231.A O no hydrogen 2.802 N/A LYS 236.A N VAL 232.A O no hydrogen 3.128 N/A LYS 236.A NZ GLU 233.A OE2 no hydrogen 2.758 N/A VAL 237.A N ILE 234.A O no hydrogen 2.979 N/A LEU 238.A N ILE 234.A O no hydrogen 2.908 N/A GLY 239.A N ILE 235.A O no hydrogen 2.607 N/A THR 240.A N ILE 259.A O no hydrogen 2.930 N/A THR 240.A OG1 PRO 257.A O no hydrogen 3.113 N/A THR 240.A OG1 ILE 259.A O no hydrogen 3.357 N/A THR 242.A N GLN 245.A OE1 no hydrogen 2.890 N/A GLN 245.A N THR 242.A OG1 no hydrogen 3.405 N/A ILE 246.A N THR 242.A O no hydrogen 2.961 N/A ARG 247.A N ARG 243.A O no hydrogen 2.998 N/A GLU 248.A N GLU 244.A O no hydrogen 2.953 N/A MET 249.A N GLN 245.A O no hydrogen 2.868 N/A ASN 250.A N ILE 246.A O no hydrogen 2.682 N/A ASN 250.A ND2 PHE 194.A O no hydrogen 2.492 N/A ASN 252.A N ASN 250.A O no hydrogen 2.426 N/A ASN 252.A ND2 ASN 250.A OD1 no hydrogen 3.063 N/A TYR 253.A N ASN 250.A O no hydrogen 3.196 N/A ILE 259.A N THR 240.A OG1 no hydrogen 2.725 N/A HIS 262.A N VAL 237.A O no hydrogen 2.924 N/A LYS 266.A N PRO 263.A O no hydrogen 3.297 N/A VAL 267.A N TRP 264.A O no hydrogen 3.038 N/A THR 272.A N ARG 269.A O no hydrogen 3.216 N/A THR 272.A OG1 ARG 269.A O no hydrogen 2.693 N/A ALA 276.A N PRO 273.A O no hydrogen 3.051 N/A ILE 277.A N PRO 273.A O no hydrogen 3.397 N/A ALA 278.A N PRO 274.A O no hydrogen 2.884 N/A LEU 279.A N GLU 275.A O no hydrogen 3.105 N/A CYS 280.A N ALA 276.A O no hydrogen 3.013 N/A SER 281.A N ILE 277.A O no hydrogen 2.988 N/A SER 281.A OG ALA 278.A O no hydrogen 2.828 N/A ARG 282.A N ALA 278.A O no hydrogen 3.219 N/A ARG 282.A N LEU 279.A O no hydrogen 2.870 N/A ARG 282.A NH1 ALA 290.A O no hydrogen 2.817 N/A LEU 283.A N CYS 280.A O no hydrogen 3.081 N/A LEU 284.A N CYS 280.A O no hydrogen 2.916 N/A TYR 286.A OH GLY 239.A O no hydrogen 2.683 N/A ALA 290.A N THR 287.A O no hydrogen 2.983 N/A ARG 291.A N PRO 288.A O no hydrogen 3.278 N/A ARG 291.A NE GLU 285.A O no hydrogen 2.786 N/A ARG 291.A NH1 GLU 191.A OE2 no hydrogen 2.742 N/A ARG 291.A NH1 SER 202.A O no hydrogen 3.177 N/A ARG 291.A NH2 GLU 191.A OE1 no hydrogen 2.852 N/A ARG 291.A NH2 GLU 191.A OE2 no hydrogen 3.424 N/A ARG 291.A NH2 GLU 285.A O no hydrogen 2.975 N/A LEU 292.A N ARG 282.A O no hydrogen 3.082 N/A THR 293.A N GLU 296.A OE1 no hydrogen 2.859 N/A GLU 296.A N THR 293.A OG1 no hydrogen 3.232 N/A ALA 297.A N THR 293.A O no hydrogen 2.845 N/A CYS 298.A N PRO 294.A O no hydrogen 3.059 N/A CYS 298.A SG TYR 129.A O no hydrogen 3.908 N/A CYS 298.A SG PRO 294.A O no hydrogen 3.722 N/A ALA 299.A N GLU 296.A O no hydrogen 3.194 N/A HIS 300.A N ALA 297.A O no hydrogen 3.136 N/A PHE 302.A N HIS 300.A ND1 no hydrogen 2.982 N/A PHE 303.A N HIS 300.A O no hydrogen 2.941 N/A ASP 304.A N SER 301.A O no hydrogen 3.041 N/A LEU 306.A N PHE 303.A O no hydrogen 3.079 N/A ARG 307.A N ASP 304.A O no hydrogen 2.713 N/A ARG 307.A NH1 HIS 300.A O no hydrogen 3.025 N/A ARG 307.A NH1 ASP 304.A OD1 no hydrogen 3.325 N/A ARG 307.A NH2 CYS 298.A O no hydrogen 2.817 N/A ASP 308.A N GLU 305.A O no hydrogen 3.407 N/A ASN 310.A N ASP 308.A OD1 no hydrogen 2.744 N/A VAL 311.A N ASP 308.A O no hydrogen 3.095 N/A LYS 312.A NZ ASP 318.A OD1 no hydrogen 3.113 N/A LEU 313.A N ARG 317.A O no hydrogen 2.900 N/A ASN 315.A ND2 ASP 158.A O no hydrogen 2.950 N/A GLY 316.A N LEU 313.A O no hydrogen 3.071 N/A ARG 317.A N ASN 315.A OD1 no hydrogen 3.058 N/A PHE 325.A N PHE 323.A O no hydrogen 2.755 N/A THR 326.A N GLU 329.A OE2 no hydrogen 3.034 N/A THR 326.A OG1 GLU 329.A OE2 no hydrogen 3.407 N/A GLN 328.A NE2 SER 140.A O no hydrogen 3.344 N/A GLN 328.A NE2 SER 140.A OG no hydrogen 2.706 N/A GLU 329.A N THR 326.A OG1 no hydrogen 3.195 N/A LEU 330.A N THR 326.A O no hydrogen 3.061 N/A SER 331.A N GLN 328.A O no hydrogen 3.140 N/A SER 331.A OG GLN 328.A O no hydrogen 2.644 N/A ASN 333.A N LEU 330.A O no hydrogen 3.038 N/A LEU 336.A N ASN 333.A O no hydrogen 3.071 N/A ALA 337.A N PRO 334.A O no hydrogen 3.182 N/A THR 338.A N PRO 335.A O no hydrogen 3.331 N/A THR 338.A OG1.A PRO 335.A O no hydrogen 3.055 N/A ILE 339.A N LEU 336.A O no hydrogen 2.916 N/A LEU 340.A N LEU 336.A O no hydrogen 2.887 N/A ILE 341.A N ALA 337.A O no hydrogen 2.925 N/A HIS 344.A NE2 ARG 307.A O no hydrogen 3.102 N/A ALA 345.A N PRO 342.A O no hydrogen 3.061 N/A ARG 346.A N PRO 343.A O no hydrogen 3.233 N/A