Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ce0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLU 125.A O no hydrogen 3.458 N/A LYS 1.A NZ LYS 126.A O no hydrogen 2.873 N/A LYS 1.A NZ VAL 128.A O no hydrogen 3.038 N/A ARG 2.A N GLU 129.A O no hydrogen 3.229 N/A GLN 4.A N VAL 131.A O no hydrogen 2.881 N/A GLN 4.A NE2 GLU 130.A OE1 no hydrogen 3.030 N/A CYS 6.A SG HIS 133.A ND1 no hydrogen 3.851 N/A CYS 6.A SG ASP 136.A OD1 no hydrogen 3.917 N/A CYS 6.A SG ASP 136.A OD2 no hydrogen 3.833 N/A SER 7.A N ASP 136.A OD1 no hydrogen 3.464 N/A SER 7.A N ASP 136.A OD2 no hydrogen 3.173 N/A SER 7.A OG ASP 136.A OD1 no hydrogen 2.991 N/A THR 12.A N ASP 9.A OD1 no hydrogen 3.366 N/A THR 12.A OG1 ASP 9.A OD1 no hydrogen 3.242 N/A THR 12.A OG1 ASP 9.A OD2 no hydrogen 2.918 N/A GLN 13.A N ASP 9.A O no hydrogen 2.753 N/A GLN 13.A NE2 LEU 8.A O no hydrogen 2.879 N/A LYS 14.A N PRO 10.A O no hydrogen 2.853 N/A LEU 15.A N ALA 11.A O no hydrogen 2.941 N/A ILE 16.A N THR 12.A O no hydrogen 3.037 N/A THR 17.A N GLN 13.A O no hydrogen 3.024 N/A THR 17.A OG1 GLN 13.A O no hydrogen 2.784 N/A ASN 18.A N LYS 14.A O no hydrogen 3.006 N/A ASN 18.A ND2 TYR 258.A OH no hydrogen 2.870 N/A ILE 19.A N LEU 15.A O no hydrogen 3.041 N/A SER 21.A N ASN 18.A O no hydrogen 3.147 N/A MET 24.A N SER 21.A OG no hydrogen 3.239 N/A PHE 25.A N SER 21.A O no hydrogen 3.096 N/A LYS 26.A N LYS 22.A O no hydrogen 2.958 N/A ASN 27.A N GLU 23.A O no hydrogen 2.916 N/A THR 28.A N MET 24.A O no hydrogen 3.132 N/A THR 28.A OG1 MET 24.A O no hydrogen 3.040 N/A MET 29.A N PHE 25.A O no hydrogen 2.962 N/A ALA 30.A N LYS 26.A O no hydrogen 2.827 N/A LEU 31.A N ASN 27.A O no hydrogen 2.818 N/A MET 32.A N MET 29.A O no hydrogen 3.339 N/A ASP 33.A N ALA 30.A O no hydrogen 3.078 N/A LEU 34.A N MET 29.A O no hydrogen 2.905 N/A ASP 35.A N PRO 82.A O no hydrogen 2.904 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.020 N/A LYS 38.A N ASP 35.A OD1 no hydrogen 2.927 N/A MET 39.A N ASP 35.A O no hydrogen 2.875 N/A LYS 43.A N PRO 40.A O no hydrogen 2.970 N/A LEU 44.A N LEU 41.A O no hydrogen 3.430 N/A LYS 46.A NZ GLU 113.A OE1 no hydrogen 3.030 N/A GLN 48.A N SER 45.A OG no hydrogen 3.212 N/A GLN 48.A NE2 VAL 80.A O no hydrogen 2.978 N/A ILE 49.A N SER 45.A O no hydrogen 3.140 N/A ALA 50.A N LYS 46.A O no hydrogen 2.988 N/A ARG 51.A N GLN 47.A O no hydrogen 2.947 N/A GLY 52.A N GLN 48.A O no hydrogen 2.962 N/A PHE 53.A N ILE 49.A O no hydrogen 3.091 N/A GLU 54.A N ALA 50.A O no hydrogen 2.897 N/A ALA 55.A N ARG 51.A O no hydrogen 3.148 N/A LEU 56.A N GLY 52.A O no hydrogen 2.999 N/A GLU 57.A N PHE 53.A O no hydrogen 2.774 N/A ALA 58.A N GLU 54.A O no hydrogen 3.052 N/A LEU 59.A N ALA 55.A O no hydrogen 3.142 N/A GLU 60.A N LEU 56.A O no hydrogen 2.801 N/A GLU 61.A N GLU 57.A O no hydrogen 2.753 N/A ALA 62.A N ALA 58.A O no hydrogen 3.250 N/A ALA 62.A N LEU 59.A O no hydrogen 3.133 N/A LEU 63.A N GLU 60.A O no hydrogen 3.069 N/A LYS 64.A N GLU 60.A O no hydrogen 3.272 N/A GLU 72.A N SER 69.A O no hydrogen 3.059 N/A GLU 72.A N SER 69.A OG no hydrogen 3.290 N/A LEU 73.A N SER 69.A O no hydrogen 2.870 N/A SER 74.A N LEU 70.A O no hydrogen 2.883 N/A SER 74.A OG LEU 70.A O no hydrogen 2.785 N/A SER 75.A N GLU 71.A O no hydrogen 3.354 N/A HIS 76.A N LEU 73.A O no hydrogen 3.121 N/A PHE 77.A N LEU 73.A O no hydrogen 3.335 N/A TYR 78.A N SER 74.A O no hydrogen 3.249 N/A TYR 78.A OH PRO 91.A O no hydrogen 2.809 N/A THR 79.A N HIS 76.A O no hydrogen 3.007 N/A THR 79.A OG1 SER 75.A O no hydrogen 2.668 N/A VAL 80.A N HIS 76.A O no hydrogen 3.117 N/A ILE 81.A N PHE 77.A O no hydrogen 2.799 N/A HIS 83.A ND1 ILE 81.A O no hydrogen 2.711 N/A ASN 84.A N ASP 33.A O no hydrogen 2.764 N/A SER 88.A N PHE 85.A O no hydrogen 3.097 N/A SER 88.A OG PHE 85.A O no hydrogen 3.443 N/A ILE 93.A N SER 74.A OG no hydrogen 2.915 N/A GLU 97.A N GLU 97.A OE1 no hydrogen 2.863 N/A LEU 98.A N SER 95.A OG no hydrogen 3.141 N/A LEU 99.A N SER 95.A O no hydrogen 2.940 N/A GLN 100.A N PRO 96.A O no hydrogen 3.205 N/A GLN 100.A NE2 ASP 104.A OD1 no hydrogen 2.971 N/A GLN 100.A NE2 HIS 224.A O no hydrogen 2.988 N/A ALA 101.A N GLU 97.A O no hydrogen 3.194 N/A LYS 102.A N LEU 98.A O no hydrogen 3.175 N/A LYS 102.A NZ HIS 83.A NE2 no hydrogen 3.034 N/A LYS 103.A N LEU 99.A O no hydrogen 3.199 N/A LYS 103.A NZ GLU 60.A OE2 no hydrogen 3.210 N/A ASP 104.A N GLN 100.A O no hydrogen 2.884 N/A MET 105.A N ALA 101.A O no hydrogen 3.040 N/A LEU 106.A N LYS 102.A O no hydrogen 2.916 N/A LEU 107.A N LYS 103.A O no hydrogen 2.958 N/A VAL 108.A N ASP 104.A O no hydrogen 3.176 N/A LEU 109.A N MET 105.A O no hydrogen 3.022 N/A ALA 110.A N LEU 106.A O no hydrogen 2.705 N/A ASP 111.A N LEU 107.A O no hydrogen 3.248 N/A ASP 111.A N VAL 108.A O no hydrogen 3.054 N/A ILE 112.A N VAL 108.A O no hydrogen 3.151 N/A ILE 112.A N LEU 109.A O no hydrogen 3.158 N/A GLU 113.A N LEU 109.A O no hydrogen 3.132 N/A LEU 114.A N ALA 110.A O no hydrogen 3.130 N/A ALA 115.A N ASP 111.A O no hydrogen 3.284 N/A GLN 116.A N ILE 112.A O no hydrogen 3.163 N/A GLN 116.A NE2 ILE 112.A O no hydrogen 3.635 N/A ALA 117.A N GLU 113.A O no hydrogen 2.773 N/A LEU 118.A N LEU 114.A O no hydrogen 2.923 N/A GLN 119.A N ALA 115.A O no hydrogen 3.111 N/A GLN 119.A N GLN 116.A O no hydrogen 3.051 N/A GLN 119.A NE2 ASP 138.A OD1 no hydrogen 3.219 N/A ALA 120.A N ALA 117.A O no hydrogen 3.327 N/A SER 122.A N GLU 125.A OE1 no hydrogen 2.781 N/A SER 122.A OG GLU 125.A OE1 no hydrogen 2.957 N/A GLU 125.A N SER 122.A O no hydrogen 3.072 N/A THR 127.A N GLU 123.A O no hydrogen 3.127 N/A THR 127.A OG1 GLU 123.A O no hydrogen 2.954 N/A THR 127.A OG1 GLN 124.A O no hydrogen 3.250 N/A VAL 131.A N ARG 2.A O no hydrogen 2.932 N/A LEU 135.A N HIS 133.A ND1 no hydrogen 3.107 N/A ARG 137.A N HIS 133.A O no hydrogen 3.038 N/A ARG 137.A NE GLU 125.A OE2 no hydrogen 2.875 N/A ARG 137.A NH1 GLN 119.A O no hydrogen 2.868 N/A ARG 137.A NH2 GLN 119.A O no hydrogen 3.503 N/A ASP 138.A N PRO 134.A O no hydrogen 3.087 N/A TYR 139.A N LEU 135.A O no hydrogen 2.794 N/A GLN 140.A N ASP 136.A O no hydrogen 2.810 N/A LEU 141.A N ARG 137.A O no hydrogen 2.939 N/A LEU 141.A N ASP 138.A O no hydrogen 3.091 N/A LYS 143.A N GLN 140.A O no hydrogen 3.190 N/A CYS 144.A SG GLN 145.A O no hydrogen 3.781 N/A GLN 145.A N ASN 182.A O no hydrogen 3.321 N/A LEU 146.A N TYR 139.A OH no hydrogen 2.848 N/A GLN 147.A N LYS 180.A O no hydrogen 3.144 N/A LEU 149.A N ILE 178.A O no hydrogen 2.773 N/A GLY 152.A N ASP 150.A OD2 no hydrogen 3.158 N/A ALA 153.A N ASP 150.A O no hydrogen 3.132 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.630 N/A TYR 156.A N ALA 153.A O no hydrogen 3.296 N/A ILE 159.A N GLU 155.A O no hydrogen 3.059 N/A GLN 160.A N TYR 156.A O no hydrogen 2.863 N/A THR 161.A N LYS 157.A O no hydrogen 2.804 N/A THR 161.A OG1 LYS 157.A O no hydrogen 2.927 N/A TYR 162.A N VAL 158.A O no hydrogen 2.908 N/A TYR 162.A OH LEU 201.A O no hydrogen 2.747 N/A LEU 163.A N ILE 159.A O no hydrogen 2.881 N/A LEU 163.A N GLN 160.A O no hydrogen 3.211 N/A GLU 164.A N GLN 160.A O no hydrogen 3.011 N/A GLN 165.A N THR 161.A O no hydrogen 2.974 N/A THR 166.A OG1 TYR 162.A O no hydrogen 2.704 N/A ASN 169.A ND2 GLN 318.A OE1 no hydrogen 3.602 N/A CYS 172.A N HIS 170.A O no hydrogen 2.666 N/A THR 174.A N HIS 352.A O no hydrogen 2.917 N/A GLN 176.A N GLU 350.A O no hydrogen 2.936 N/A TRP 179.A N LEU 348.A O no hydrogen 2.798 N/A TRP 179.A NE1 THR 12.A OG1 no hydrogen 2.862 N/A LYS 180.A N GLN 147.A O no hydrogen 2.656 N/A VAL 181.A N ARG 346.A O no hydrogen 2.745 N/A ASN 182.A N GLN 145.A O no hydrogen 2.940 N/A ASN 182.A ND2 GLN 145.A OE1 no hydrogen 3.126 N/A ASN 182.A ND2 GLU 184.A OE1 no hydrogen 3.335 N/A GLU 186.A N GLN 183.A O no hydrogen 3.161 N/A ARG 189.A NH2 CYS 343.A O no hydrogen 3.491 N/A PHE 190.A N GLU 186.A O no hydrogen 3.225 N/A GLN 191.A N GLU 187.A O no hydrogen 2.993 N/A GLN 191.A N ASP 188.A O no hydrogen 3.322 N/A ALA 192.A N ARG 189.A O no hydrogen 3.294 N/A HIS 193.A NE2 SER 341.A OG no hydrogen 2.780 N/A SER 194.A N GLN 191.A O no hydrogen 3.321 N/A SER 194.A OG GLN 191.A O no hydrogen 2.636 N/A LEU 196.A N HIS 193.A O no hydrogen 2.973 N/A ASN 198.A ND2 GLY 267.A O no hydrogen 2.696 N/A ASN 198.A ND2 GLU 269.A OE2 no hydrogen 2.688 N/A LYS 200.A N VAL 264.A O no hydrogen 3.195 N/A LYS 200.A NZ TYR 335.A OH no hydrogen 3.301 N/A LEU 201.A N VAL 313.A O no hydrogen 2.847 N/A LEU 202.A N GLY 262.A O no hydrogen 2.929 N/A TRP 203.A N ALA 236.A O no hydrogen 2.801 N/A HIS 204.A N PHE 260.A O no hydrogen 2.908 N/A HIS 204.A ND1 TYR 234.A O no hydrogen 2.723 N/A THR 206.A OG1 ASN 207.A O no hydrogen 3.170 N/A MET 208.A N ILE 247.A O no hydrogen 3.346 N/A VAL 210.A N ASN 207.A O no hydrogen 3.143 N/A ILE 214.A N VAL 210.A O no hydrogen 2.925 N/A LEU 215.A N VAL 211.A O no hydrogen 2.989 N/A THR 216.A N ALA 213.A O no hydrogen 3.138 N/A THR 216.A OG1 ALA 212.A O no hydrogen 2.784 N/A SER 217.A N ALA 213.A O no hydrogen 2.795 N/A GLY 218.A N ILE 214.A O no hydrogen 2.714 N/A ARG 220.A NE GLY 218.A O no hydrogen 3.044 N/A ARG 220.A NH1 ASP 111.A OD1 no hydrogen 2.995 N/A ARG 220.A NH2 ASP 111.A OD1 no hydrogen 3.558 N/A ARG 220.A NH2 ASP 111.A OD2 no hydrogen 2.873 N/A ILE 221.A N GLU 340.A OE2 no hydrogen 2.897 N/A HIS 224.A NE2 GLU 57.A OE2 no hydrogen 2.845 N/A SER 225.A N MET 222.A O no hydrogen 3.336 N/A SER 225.A OG MET 222.A O no hydrogen 2.619 N/A ARG 228.A NE ASP 275.A OD2 no hydrogen 2.774 N/A ARG 228.A NH2 ASP 275.A OD1 no hydrogen 3.003 N/A ARG 228.A NH2 ASP 275.A OD2 no hydrogen 3.346 N/A ARG 228.A NH2 THR 329.A O no hydrogen 2.734 N/A VAL 229.A N TYR 234.A OH no hydrogen 2.741 N/A GLY 230.A N GLY 227.A O no hydrogen 3.490 N/A LYS 231.A N LEU 279.A O no hydrogen 2.833 N/A ILE 233.A N ILE 337.A O no hydrogen 2.944 N/A TYR 234.A OH GLY 230.A O no hydrogen 2.870 N/A PHE 235.A N TYR 335.A O no hydrogen 2.906 N/A ALA 236.A N TRP 203.A O no hydrogen 3.044 N/A SER 237.A OG GLU 296.A OE2 no hydrogen 2.859 N/A ASN 239.A N THR 166.A OG1 no hydrogen 2.892 N/A SER 240.A N THR 166.A O no hydrogen 2.926 N/A SER 240.A OG THR 166.A O no hydrogen 3.010 N/A LYS 241.A N GLU 238.A O no hydrogen 2.984 N/A LYS 241.A NZ GLU 334.A OE2 no hydrogen 3.117 N/A SER 242.A N GLU 238.A O no hydrogen 3.424 N/A ALA 243.A N ASN 239.A O no hydrogen 2.787 N/A TYR 245.A N SER 242.A O no hydrogen 2.866 N/A VAL 246.A N ALA 243.A O no hydrogen 3.012 N/A CYS 251.A N HIS 254.A O no hydrogen 3.008 N/A CYS 251.A SG LYS 250.A O no hydrogen 3.071 N/A VAL 256.A N MET 249.A O no hydrogen 3.194 N/A GLY 257.A N VAL 351.A O no hydrogen 3.122 N/A TYR 258.A OH GLU 350.A OE1 no hydrogen 3.419 N/A MET 259.A N LEU 349.A O no hydrogen 2.916 N/A PHE 260.A N HIS 204.A O no hydrogen 3.080 N/A LEU 261.A N TYR 347.A O no hydrogen 2.893 N/A GLY 262.A N LEU 202.A O no hydrogen 2.936 N/A GLU 263.A N ARG 344.A O no hydrogen 2.791 N/A VAL 264.A N LYS 200.A O no hydrogen 3.139 N/A ALA 265.A N GLN 342.A O no hydrogen 3.001 N/A LEU 266.A N ASN 198.A O no hydrogen 2.895 N/A ARG 268.A N ASP 287.A OD2 no hydrogen 2.806 N/A HIS 270.A N SER 288.A O no hydrogen 2.779 N/A HIS 271.A NE2 GLU 269.A OE1 no hydrogen 3.010 N/A ILE 272.A N ILE 290.A O no hydrogen 3.095 N/A THR 274.A OG1 ASN 273.A OD1 no hydrogen 3.189 N/A ASN 276.A N ARG 228.A O no hydrogen 2.763 N/A SER 278.A OG ASN 276.A OD1 no hydrogen 2.720 N/A LEU 279.A N ASN 276.A O no hydrogen 3.225 N/A SER 281.A OG PRO 282.A O no hydrogen 3.569 N/A PHE 286.A N PRO 283.A O no hydrogen 2.872 N/A ASP 287.A N ARG 268.A O no hydrogen 2.924 N/A SER 288.A OG LEU 266.A O no hydrogen 2.728 N/A VAL 289.A N LEU 336.A O no hydrogen 3.121 N/A ILE 290.A N HIS 270.A O no hydrogen 2.923 N/A ALA 291.A N GLU 334.A O no hydrogen 3.013 N/A ARG 292.A N ILE 272.A O no hydrogen 3.232 N/A ARG 292.A NH2 HIS 271.A ND1 no hydrogen 3.278 N/A GLY 293.A N SER 333.A OG no hydrogen 2.900 N/A HIS 294.A N SER 331.A O no hydrogen 2.920 N/A HIS 294.A NE2 SER 328.A O no hydrogen 2.811 N/A THR 295.A OG1 GLU 238.A OE2 no hydrogen 3.078 N/A GLU 296.A N VAL 320.A O no hydrogen 3.033 N/A ASP 298.A N GLN 318.A O no hydrogen 2.890 N/A THR 300.A N ASP 298.A OD1 no hydrogen 3.213 N/A THR 300.A OG1 ASP 298.A OD1 no hydrogen 3.105 N/A THR 300.A OG1 ASP 298.A OD2 no hydrogen 3.149 N/A THR 300.A OG1 GLN 301.A OE1 no hydrogen 3.179 N/A GLN 301.A N ASP 298.A O no hydrogen 2.884 N/A ASP 302.A N PRO 299.A O no hydrogen 3.335 N/A THR 303.A N VAL 314.A O no hydrogen 3.040 N/A LEU 305.A N VAL 312.A O no hydrogen 2.821 N/A LEU 307.A N GLN 310.A O no hydrogen 2.884 N/A GLN 310.A N LEU 307.A O no hydrogen 2.978 N/A GLN 310.A NE2 SER 194.A O no hydrogen 3.440 N/A VAL 312.A N LEU 305.A O no hydrogen 2.786 N/A VAL 313.A N ARG 199.A O no hydrogen 2.765 N/A VAL 314.A N THR 303.A O no hydrogen 2.716 N/A GLN 316.A NE2 VAL 158.A O no hydrogen 3.072 N/A GLN 316.A NE2 VAL 314.A O no hydrogen 3.377 N/A VAL 320.A N GLU 296.A O no hydrogen 2.858 N/A CYS 322.A N HIS 294.A O no hydrogen 2.776 N/A CYS 322.A SG VAL 320.A O no hydrogen 4.021 N/A PHE 325.A N CYS 322.A O no hydrogen 2.800 N/A SER 326.A N PRO 323.A O no hydrogen 3.182 N/A SER 326.A OG PRO 323.A O no hydrogen 2.979 N/A SER 328.A N PHE 325.A O no hydrogen 3.087 N/A SER 328.A OG ASN 273.A O no hydrogen 3.242 N/A SER 328.A OG ARG 292.A O no hydrogen 2.935 N/A THR 329.A N ASN 273.A O no hydrogen 2.999 N/A THR 329.A OG1 ASN 273.A O no hydrogen 2.817 N/A THR 329.A OG1 ASP 275.A OD1 no hydrogen 2.957 N/A PHE 330.A N SER 328.A OG no hydrogen 3.174 N/A GLN 332.A NE2 GLU 238.A OE1 no hydrogen 3.114 N/A SER 333.A OG ALA 291.A O no hydrogen 3.307 N/A SER 333.A OG GLU 296.A OE1 no hydrogen 2.485 N/A SER 333.A OG GLU 296.A OE2 no hydrogen 3.490 N/A GLU 334.A N ALA 291.A O no hydrogen 2.941 N/A TYR 335.A N PHE 235.A O no hydrogen 3.039 N/A TYR 335.A OH GLU 296.A OE2 no hydrogen 2.598 N/A LEU 336.A N VAL 289.A O no hydrogen 2.798 N/A TYR 338.A OH VAL 229.A O no hydrogen 2.668 N/A GLN 339.A NE2 GLN 342.A OE1 no hydrogen 3.308 N/A SER 341.A OG HIS 193.A NE2 no hydrogen 2.780 N/A GLN 342.A N GLN 339.A O no hydrogen 2.971 N/A GLN 342.A NE2 ALA 265.A O no hydrogen 2.607 N/A GLN 342.A NE2 ASP 287.A O no hydrogen 3.501 N/A CYS 343.A N GLU 340.A O no hydrogen 3.114 N/A ARG 344.A N GLU 263.A O no hydrogen 2.935 N/A LEU 345.A N GLU 186.A OE1 no hydrogen 3.384 N/A ARG 346.A N LEU 261.A O no hydrogen 2.997 N/A ARG 346.A NE GLU 263.A OE1 no hydrogen 2.824 N/A ARG 346.A NH2 GLU 263.A OE1 no hydrogen 2.951 N/A ARG 346.A NH2 ASP 308.A OD2 no hydrogen 2.970 N/A TYR 347.A N LEU 261.A O no hydrogen 3.122 N/A LEU 348.A N TRP 179.A O no hydrogen 2.851 N/A LEU 349.A N MET 259.A O no hydrogen 2.766 N/A GLU 350.A N HIS 177.A O no hydrogen 3.065 N/A VAL 351.A N GLY 257.A O no hydrogen 2.829 N/A HIS 352.A N THR 174.A O no hydrogen 2.780 N/A