Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s3n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 303.A OE2 no hydrogen 2.848 N/A SER 5.A N MET 1.A O no hydrogen 3.276 N/A SER 5.A OG MET 1.A O no hydrogen 3.253 N/A THR 6.A N LEU 3.A O no hydrogen 3.109 N/A THR 6.A OG1 ASP 2.A O no hydrogen 2.663 N/A ALA 8.A N PRO 311.A O no hydrogen 3.077 N/A ALA 10.A N PRO 7.A O no hydrogen 2.770 N/A LEU 11.A N ALA 8.A O no hydrogen 3.351 N/A PHE 14.A N ALA 10.A O no hydrogen 3.107 N/A VAL 15.A N LEU 11.A O no hydrogen 2.930 N/A ALA 16.A N ASP 12.A O no hydrogen 3.012 N/A ARG 17.A N ARG 13.A O no hydrogen 2.880 N/A LYS 18.A N PHE 14.A O no hydrogen 2.781 N/A LEU 19.A N VAL 15.A O no hydrogen 2.941 N/A GLN 20.A N VAL 15.A O no hydrogen 3.005 N/A GLN 20.A NE2 ASN 189.A OD1 no hydrogen 2.806 N/A ARG 22.A NH1 ASP 132.A OD1 no hydrogen 3.231 N/A ARG 22.A NH1 ASP 132.A OD2 no hydrogen 2.601 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.670 N/A VAL 26.A N ARG 22.A O no hydrogen 2.919 N/A GLU 27.A N LYS 23.A O no hydrogen 2.994 N/A LYS 28.A N GLU 24.A O no hydrogen 3.109 N/A LYS 28.A NZ GLY 107.A O no hydrogen 3.287 N/A ALA 29.A N PHE 25.A O no hydrogen 2.863 N/A ARG 30.A N VAL 26.A O no hydrogen 2.825 N/A ARG 31.A N GLU 27.A O no hydrogen 2.974 N/A ALA 32.A N LYS 28.A O no hydrogen 3.102 N/A LEU 33.A N ALA 29.A O no hydrogen 2.964 N/A GLY 34.A N ARG 30.A O no hydrogen 2.899 N/A ALA 35.A N ARG 31.A O no hydrogen 2.941 N/A LEU 36.A N ALA 32.A O no hydrogen 2.929 N/A ALA 37.A N LEU 33.A O no hydrogen 2.915 N/A ALA 38.A N GLY 34.A O no hydrogen 2.949 N/A ALA 39.A N ALA 35.A O no hydrogen 2.911 N/A LEU 40.A N LEU 36.A O no hydrogen 2.872 N/A ARG 41.A N ALA 37.A O no hydrogen 3.031 N/A GLU 42.A N ALA 38.A O no hydrogen 3.111 N/A ARG 43.A N LEU 40.A O no hydrogen 3.244 N/A ARG 45.A N ASP 74.A OD1 no hydrogen 2.857 N/A LEU 47.A N PHE 72.A O no hydrogen 2.837 N/A LYS 48.A NZ ASN 143.A OD1 no hydrogen 2.749 N/A LYS 48.A NZ GLY 146.A O no hydrogen 2.901 N/A LYS 48.A NZ GLU 174.A OE1 no hydrogen 2.871 N/A VAL 50.A N VAL 70.A O no hydrogen 2.988 N/A GLY 52.A N GLU 68.A O no hydrogen 2.665 N/A SER 54.A N ASP 66.A OD2 no hydrogen 3.081 N/A SER 54.A OG ASP 66.A OD1 no hydrogen 2.590 N/A SER 55.A N ASP 66.A O no hydrogen 3.005 N/A GLY 56.A N GLY 52.A O no hydrogen 3.013 N/A ARG 57.A N GLY 53.A O no hydrogen 2.787 N/A ARG 57.A NE GLU 214.A OE1 no hydrogen 2.743 N/A ARG 57.A NH2 GLU 214.A OE1 no hydrogen 3.395 N/A ARG 57.A NH2 GLU 214.A OE2 no hydrogen 2.964 N/A GLY 58.A N SER 55.A O no hydrogen 3.202 N/A THR 59.A N SER 54.A O no hydrogen 2.811 N/A THR 59.A OG1 SER 54.A O no hydrogen 3.354 N/A THR 59.A OG1 GLU 214.A OE1 no hydrogen 3.243 N/A THR 59.A OG1 GLU 214.A OE2 no hydrogen 2.757 N/A LYS 62.A N LEU 19.A O no hydrogen 2.881 N/A LYS 62.A NZ ARG 17.A O no hydrogen 2.926 N/A GLY 63.A N ASP 132.A OD1 no hydrogen 2.781 N/A CYS 65.A N TRP 133.A O no hydrogen 2.940 N/A CYS 65.A SG TRP 133.A O no hydrogen 3.700 N/A SER 67.A N ASP 135.A O no hydrogen 2.982 N/A GLU 68.A N GLY 52.A O no hydrogen 2.968 N/A LEU 69.A N SER 137.A O no hydrogen 2.907 N/A VAL 70.A N VAL 50.A O no hydrogen 2.868 N/A ILE 71.A N VAL 139.A O no hydrogen 2.738 N/A PHE 72.A N LYS 48.A O no hydrogen 2.815 N/A LEU 73.A N ALA 141.A O no hydrogen 3.261 N/A ASP 74.A N ARG 45.A O no hydrogen 2.997 N/A PHE 76.A N LEU 73.A O no hydrogen 3.428 N/A LYS 77.A N ASP 81.A OD2 no hydrogen 3.017 N/A LYS 77.A NZ ASP 74.A O no hydrogen 2.705 N/A SER 78.A N ASP 81.A OD2 no hydrogen 3.307 N/A TYR 79.A OH VAL 154.A O no hydrogen 2.667 N/A ASP 81.A N SER 78.A O no hydrogen 3.261 N/A GLN 82.A N TYR 79.A O no hydrogen 3.154 N/A ARG 83.A N VAL 80.A O no hydrogen 3.196 N/A ARG 83.A NH1 GLU 167.A OE1 no hydrogen 2.904 N/A ARG 83.A NH1 GLU 167.A OE2 no hydrogen 3.440 N/A ALA 84.A N VAL 80.A O no hydrogen 3.052 N/A ARG 85.A N ASP 81.A O no hydrogen 2.484 N/A LEU 90.A N ARG 86.A O no hydrogen 3.022 N/A SER 91.A N ALA 87.A O no hydrogen 3.000 N/A GLU 92.A N GLU 88.A O no hydrogen 3.178 N/A MET 93.A N ILE 89.A O no hydrogen 3.047 N/A ARG 94.A N LEU 90.A O no hydrogen 3.120 N/A ARG 94.A NH1 ARG 94.A O no hydrogen 3.224 N/A ALA 95.A N SER 91.A O no hydrogen 3.407 N/A SER 96.A N GLU 92.A O no hydrogen 3.006 N/A SER 96.A OG GLU 92.A O no hydrogen 3.231 N/A LEU 97.A N MET 93.A O no hydrogen 2.918 N/A GLU 98.A N ARG 94.A O no hydrogen 3.210 N/A SER 99.A N ALA 95.A O no hydrogen 3.094 N/A SER 99.A OG ALA 95.A O no hydrogen 3.311 N/A TRP 100.A N SER 96.A O no hydrogen 2.821 N/A TRP 101.A N LEU 97.A O no hydrogen 2.964 N/A GLN 102.A N SER 99.A O no hydrogen 3.094 N/A GLN 102.A NE2 GLU 98.A O no hydrogen 3.182 N/A ASN 103.A N TRP 100.A O no hydrogen 3.215 N/A LEU 108.A N VAL 105.A O no hydrogen 3.316 N/A ARG 109.A N THR 126.A O no hydrogen 2.758 N/A ARG 109.A NE SER 127.A O no hydrogen 3.536 N/A ARG 109.A NH2 VAL 128.A O no hydrogen 3.397 N/A THR 111.A N ARG 124.A O no hydrogen 2.897 N/A GLN 115.A NE2 GLN 122.A O no hydrogen 2.965 N/A ALA 120.A N VAL 117.A O no hydrogen 3.262 N/A LEU 121.A N LEU 138.A O no hydrogen 2.978 N/A GLN 122.A N GLN 115.A OE1 no hydrogen 2.890 N/A GLN 122.A NE2 SER 137.A OG no hydrogen 3.245 N/A PHE 123.A N VAL 136.A O no hydrogen 3.035 N/A ARG 124.A N THR 111.A O no hydrogen 2.641 N/A ARG 124.A NE ASP 135.A OD1 no hydrogen 2.667 N/A ARG 124.A NH2 ASP 135.A OD1 no hydrogen 3.318 N/A ARG 124.A NH2 ASP 135.A OD2 no hydrogen 3.202 N/A LEU 125.A N MET 134.A O no hydrogen 2.942 N/A THR 126.A N ARG 109.A O no hydrogen 2.959 N/A SER 127.A N ASP 132.A O no hydrogen 2.819 N/A SER 127.A OG ASP 132.A O no hydrogen 3.240 N/A ASP 129.A N SER 127.A OG no hydrogen 3.339 N/A ASP 132.A N SER 127.A OG no hydrogen 3.214 N/A MET 134.A N LEU 125.A O no hydrogen 2.797 N/A ASP 135.A N CYS 65.A O no hydrogen 2.775 N/A VAL 136.A N PHE 123.A O no hydrogen 2.732 N/A SER 137.A N SER 67.A O no hydrogen 2.868 N/A LEU 138.A N LEU 121.A O no hydrogen 2.883 N/A VAL 139.A N LEU 69.A O no hydrogen 2.934 N/A ALA 141.A N ILE 71.A O no hydrogen 2.974 N/A ASN 143.A ND2 GLY 146.A O no hydrogen 3.012 N/A VAL 144.A N PHE 142.A O no hydrogen 2.997 N/A GLY 146.A N ASN 143.A O no hydrogen 3.322 N/A LYS 149.A NZ GLU 260.A OE2 no hydrogen 2.788 N/A VAL 154.A N LYS 151.A O no hydrogen 2.961 N/A TYR 155.A N PRO 152.A O no hydrogen 2.937 N/A TYR 155.A OH ALA 283.A O no hydrogen 2.719 N/A SER 156.A N PRO 152.A O no hydrogen 2.951 N/A SER 156.A OG PRO 152.A O no hydrogen 3.522 N/A SER 156.A OG GLN 153.A O no hydrogen 3.315 N/A SER 156.A OG GLN 153.A OE1 no hydrogen 3.387 N/A THR 157.A N GLN 153.A O no hydrogen 2.944 N/A THR 157.A OG1 GLN 153.A O no hydrogen 2.744 N/A THR 157.A OG1 VAL 154.A O no hydrogen 3.066 N/A LEU 159.A N TYR 155.A O no hydrogen 3.023 N/A ASN 160.A N SER 156.A O no hydrogen 3.066 N/A SER 161.A N THR 157.A O no hydrogen 3.128 N/A SER 161.A N LEU 158.A O no hydrogen 3.155 N/A SER 161.A OG LEU 158.A O no hydrogen 2.491 N/A GLY 162.A N LEU 159.A O no hydrogen 3.324 N/A CYS 163.A SG LEU 158.A O no hydrogen 3.891 N/A CYS 163.A SG GLN 164.A O no hydrogen 3.345 N/A GLN 164.A N GLU 167.A OE1 no hydrogen 2.994 N/A GLY 166.A N THR 286.A OG1 no hydrogen 3.042 N/A GLU 167.A N GLN 164.A O no hydrogen 3.117 N/A HIS 168.A ND1 GLN 82.A OE1 no hydrogen 2.884 N/A ALA 169.A N GLY 166.A O no hydrogen 3.103 N/A CYS 171.A N HIS 168.A O no hydrogen 3.006 N/A CYS 171.A SG PHE 142.A O no hydrogen 3.344 N/A CYS 171.A SG HIS 168.A O no hydrogen 3.413 N/A PHE 172.A N ALA 169.A O no hydrogen 3.114 N/A THR 173.A N ALA 170.A O no hydrogen 3.146 N/A THR 173.A OG1 ALA 170.A O no hydrogen 2.746 N/A LEU 175.A N PHE 172.A O no hydrogen 3.007 N/A ARG 176.A N PHE 172.A O no hydrogen 3.043 N/A ARG 176.A NE ASP 281.A OD1 no hydrogen 3.383 N/A ARG 176.A NE ASP 281.A OD2 no hydrogen 2.836 N/A ARG 176.A NH1 ALA 169.A O no hydrogen 3.159 N/A ARG 176.A NH2 ALA 169.A O no hydrogen 2.856 N/A ARG 176.A NH2 ASP 281.A OD2 no hydrogen 2.767 N/A ARG 177.A N THR 173.A O no hydrogen 2.833 N/A ARG 177.A NE GLY 56.A O no hydrogen 3.329 N/A ASN 178.A N GLU 174.A O no hydrogen 3.120 N/A PHE 179.A N LEU 175.A O no hydrogen 2.964 N/A VAL 180.A N ARG 176.A O no hydrogen 3.270 N/A ASN 181.A N ARG 177.A O no hydrogen 2.769 N/A ILE 182.A N ASN 178.A O no hydrogen 3.373 N/A ARG 183.A NE PHE 179.A O no hydrogen 2.807 N/A ARG 183.A NH1 GLU 222.A OE2 no hydrogen 2.884 N/A ARG 183.A NH2 PHE 179.A O no hydrogen 3.486 N/A ARG 183.A NH2 GLU 222.A OE2 no hydrogen 3.275 N/A LYS 186.A NZ ASP 12.A OD2 no hydrogen 2.765 N/A LYS 186.A NZ PHE 230.A O no hydrogen 2.837 N/A LYS 188.A N PRO 184.A O no hydrogen 3.250 N/A LYS 188.A NZ ASN 181.A O no hydrogen 2.874 N/A LYS 188.A NZ ASN 181.A OD1 no hydrogen 3.069 N/A ASN 189.A N ALA 185.A O no hydrogen 2.934 N/A LEU 190.A N LYS 186.A O no hydrogen 2.923 N/A ILE 191.A N LEU 187.A O no hydrogen 2.986 N/A LEU 192.A N LYS 188.A O no hydrogen 3.036 N/A LEU 193.A N ASN 189.A O no hydrogen 3.025 N/A VAL 194.A N LEU 190.A O no hydrogen 2.883 N/A LYS 195.A N ILE 191.A O no hydrogen 2.830 N/A LYS 195.A NZ SER 54.A OG no hydrogen 2.875 N/A LYS 195.A NZ THR 59.A O no hydrogen 2.641 N/A LYS 195.A NZ GLU 214.A OE2 no hydrogen 2.759 N/A HIS 196.A N LEU 192.A O no hydrogen 2.843 N/A TRP 197.A N LEU 193.A O no hydrogen 3.009 N/A TRP 197.A NE1 TYR 4.A OH no hydrogen 2.897 N/A TYR 198.A N VAL 194.A O no hydrogen 2.940 N/A HIS 199.A N LYS 195.A O no hydrogen 2.863 N/A GLN 200.A N HIS 196.A O no hydrogen 2.974 N/A VAL 201.A N TRP 197.A O no hydrogen 3.065 N/A CYS 202.A N TYR 198.A O no hydrogen 2.971 N/A CYS 202.A SG TYR 198.A O no hydrogen 3.292 N/A LEU 203.A N HIS 199.A O no hydrogen 3.060 N/A GLN 204.A N GLN 200.A O no hydrogen 3.220 N/A TYR 211.A OH ASP 281.A OD1 no hydrogen 2.760 N/A ALA 212.A N PRO 209.A O no hydrogen 2.954 N/A LEU 213.A N VAL 210.A O no hydrogen 3.018 N/A GLU 214.A N VAL 210.A O no hydrogen 3.146 N/A LEU 215.A N TYR 211.A O no hydrogen 3.052 N/A LEU 216.A N ALA 212.A O no hydrogen 3.009 N/A THR 217.A N LEU 213.A O no hydrogen 2.986 N/A THR 217.A OG1 LEU 213.A O no hydrogen 2.775 N/A ILE 218.A N GLU 214.A O no hydrogen 3.008 N/A PHE 219.A N LEU 215.A O no hydrogen 2.775 N/A ALA 220.A N LEU 216.A O no hydrogen 2.870 N/A TRP 221.A N THR 217.A O no hydrogen 3.074 N/A TRP 221.A NE1 LYS 227.A O no hydrogen 2.816 N/A GLU 222.A N ILE 218.A O no hydrogen 2.962 N/A GLN 223.A N PHE 219.A O no hydrogen 3.006 N/A GLY 224.A N ALA 220.A O no hydrogen 2.806 N/A CYS 225.A N TRP 221.A O no hydrogen 2.898 N/A LYS 226.A N TRP 221.A O no hydrogen 2.710 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.557 N/A GLY 235.A N SER 231.A O no hydrogen 3.376 N/A LEU 236.A N LEU 232.A O no hydrogen 2.854 N/A ARG 237.A N ALA 233.A O no hydrogen 2.840 N/A ARG 237.A NH1 ARG 237.A O no hydrogen 3.006 N/A THR 238.A N GLU 234.A O no hydrogen 2.851 N/A THR 238.A OG1 GLU 234.A O no hydrogen 2.628 N/A VAL 239.A N GLY 235.A O no hydrogen 2.949 N/A LEU 240.A N LEU 236.A O no hydrogen 2.921 N/A GLY 241.A N ARG 237.A O no hydrogen 3.025 N/A LEU 242.A N THR 238.A O no hydrogen 3.043 N/A ILE 243.A N VAL 239.A O no hydrogen 2.978 N/A GLN 244.A N LEU 240.A O no hydrogen 3.002 N/A GLN 245.A N GLY 241.A O no hydrogen 3.235 N/A GLN 245.A N LEU 242.A O no hydrogen 2.886 N/A HIS 246.A N ILE 243.A O no hydrogen 2.991 N/A HIS 246.A ND1 ILE 243.A O no hydrogen 3.077 N/A HIS 248.A N GLN 245.A O no hydrogen 2.753 N/A LEU 249.A N HIS 246.A O no hydrogen 3.153 N/A CYS 250.A N HIS 339.A ND1 no hydrogen 3.005 N/A CYS 250.A SG LEU 272.A O no hydrogen 3.502 N/A VAL 251.A N VAL 278.A O no hydrogen 2.855 N/A TRP 253.A NE1 GLU 222.A OE1 no hydrogen 2.850 N/A ASN 256.A ND2 PRO 282.A O no hydrogen 2.975 N/A TYR 257.A OH ASP 281.A O no hydrogen 2.540 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.791 N/A VAL 264.A N ASP 261.A OD2 no hydrogen 3.107 N/A GLY 265.A N ASP 261.A O no hydrogen 2.616 N/A GLN 266.A N PRO 262.A O no hydrogen 2.865 N/A PHE 267.A N ALA 263.A O no hydrogen 3.175 N/A LEU 268.A N VAL 264.A O no hydrogen 2.959 N/A GLN 269.A N GLY 265.A O no hydrogen 3.076 N/A ARG 270.A N GLN 266.A O no hydrogen 3.249 N/A GLN 271.A N PHE 267.A O no hydrogen 2.929 N/A GLN 271.A NE2 PRO 285.A O no hydrogen 2.806 N/A LEU 272.A N LEU 268.A O no hydrogen 3.111 N/A LEU 272.A N GLN 269.A O no hydrogen 3.276 N/A LYS 273.A N ARG 270.A O no hydrogen 3.160 N/A ARG 274.A N GLN 271.A O no hydrogen 3.377 N/A ARG 274.A NH1 GLN 271.A OE1 no hydrogen 3.270 N/A ARG 276.A NH1 HIS 248.A O no hydrogen 3.376 N/A ARG 276.A NH1 HIS 339.A O no hydrogen 3.086 N/A ARG 276.A NH2 HIS 339.A O no hydrogen 3.059 N/A VAL 278.A N LEU 249.A O no hydrogen 3.036 N/A ILE 279.A N ASP 288.A OD1 no hydrogen 2.871 N/A LEU 280.A N VAL 251.A O no hydrogen 2.900 N/A ASP 281.A N TRP 287.A O no hydrogen 3.041 N/A ALA 283.A N ASP 281.A OD1 no hydrogen 2.930 N/A ASP 284.A N ASP 281.A O no hydrogen 3.083 N/A THR 286.A N ASP 284.A OD1 no hydrogen 2.947 N/A THR 286.A OG1 ASP 284.A OD1 no hydrogen 2.537 N/A THR 286.A OG1 ASP 284.A OD2 no hydrogen 3.470 N/A TRP 287.A N ASP 284.A O no hydrogen 3.227 N/A LEU 289.A N ILE 279.A O no hydrogen 2.803 N/A GLY 290.A N ASP 288.A OD1 no hydrogen 2.841 N/A ASN 291.A N ASP 288.A OD1 no hydrogen 3.115 N/A ASN 291.A N ASP 288.A OD2 no hydrogen 2.973 N/A GLY 292.A N PRO 277.A O no hydrogen 2.993 N/A ALA 294.A N ASN 291.A O no hydrogen 3.161 N/A HIS 296.A N THR 206.A O no hydrogen 3.063 N/A TRP 297.A N TRP 295.A O no hydrogen 2.766 N/A TRP 297.A NE1 GLY 290.A O no hydrogen 2.999 N/A LEU 299.A N HIS 296.A O no hydrogen 3.075 N/A ALA 301.A N TRP 297.A O no hydrogen 2.834 N/A GLN 302.A N ASP 298.A O no hydrogen 2.835 N/A GLU 303.A N LEU 299.A O no hydrogen 3.306 N/A ALA 304.A N LEU 300.A O no hydrogen 2.931 N/A ALA 305.A N ALA 301.A O no hydrogen 2.864 N/A SER 306.A OG GLN 302.A O no hydrogen 3.334 N/A CYS 307.A N ALA 304.A O no hydrogen 3.290 N/A CYS 307.A SG ALA 304.A O no hydrogen 3.357 N/A TYR 308.A OH GLN 244.A OE1 no hydrogen 2.641 N/A HIS 310.A N TYR 308.A O no hydrogen 2.875 N/A HIS 310.A ND1 CYS 307.A O no hydrogen 2.929 N/A CYS 312.A N TYR 4.A O no hydrogen 3.118 N/A CYS 312.A SG TYR 4.A O no hydrogen 3.919 N/A PHE 313.A N HIS 310.A O no hydrogen 3.005 N/A LEU 314.A N PRO 311.A O no hydrogen 3.126 N/A ARG 315.A N ASP 319.A O no hydrogen 2.900 N/A ARG 315.A NE GLU 234.A OE2 no hydrogen 2.861 N/A ARG 315.A NH2 GLU 234.A OE1 no hydrogen 3.224 N/A ASP 319.A N ARG 315.A O no hydrogen 2.917 N/A VAL 321.A N PHE 313.A O no hydrogen 2.857 N/A SER 323.A OG TRP 324.A O no hydrogen 3.208 N/A TRP 324.A N THR 238.A OG1 no hydrogen 2.727 N/A LEU 329.A N GLY 326.A O no hydrogen 2.979 N/A HIS 339.A NE2 GLY 328.A O no hydrogen 2.810 N/A GLN 342.A N GLN 342.A OE1 no hydrogen 2.833 N/A GLN 342.A NE2 PHE 252.A O no hydrogen 2.652 N/A LEU 343.A N PRO 340.A O no hydrogen 3.032 N/A