Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ypd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A ND1 ILE 2.A O no hydrogen 2.667 N/A SER 5.A N TRP 14.A O no hydrogen 2.996 N/A ILE 7.A N ILE 12.A O no hydrogen 2.767 N/A CYS 8.A N ASP 209.A OD2 no hydrogen 2.852 N/A CYS 8.A SG THR 277.A O no hydrogen 3.907 N/A HIS 11.A N ILE 7.A O no hydrogen 3.080 N/A HIS 11.A N CYS 8.A O no hydrogen 2.982 N/A ILE 12.A N ILE 7.A O no hydrogen 2.902 N/A LEU 13.A N PRO 36.A O no hydrogen 3.147 N/A TRP 14.A N SER 5.A O no hydrogen 2.756 N/A TRP 14.A NE1 SER 40.A OG no hydrogen 2.982 N/A LEU 15.A N VAL 38.A O no hydrogen 2.824 N/A LYS 16.A N PRO 3.A O no hydrogen 3.099 N/A LYS 16.A NZ SER 5.A OG no hydrogen 2.768 N/A LYS 19.A N ASP 17.A OD1 no hydrogen 2.960 N/A ASN 20.A N ASP 17.A O no hydrogen 3.150 N/A ASN 20.A ND2 MET 1.A O no hydrogen 3.168 N/A SER 22.A N ASN 20.A OD1 no hydrogen 2.751 N/A ASN 23.A N ASN 20.A O no hydrogen 3.353 N/A ASN 23.A ND2 ASP 17.A O no hydrogen 2.853 N/A LYS 25.A N SER 22.A O no hydrogen 2.909 N/A PHE 27.A N ASN 23.A O no hydrogen 3.074 N/A LYS 28.A N TRP 24.A O no hydrogen 2.788 N/A GLU 29.A N LEU 26.A O no hydrogen 3.166 N/A CYS 30.A SG LEU 26.A O no hydrogen 3.863 N/A TRP 31.A N PHE 27.A O no hydrogen 2.958 N/A TRP 31.A NE1 SER 313.A OG no hydrogen 2.903 N/A LYS 32.A N LYS 28.A O no hydrogen 3.342 N/A GLN 33.A N CYS 30.A O no hydrogen 3.052 N/A GLY 34.A N TRP 31.A O no hydrogen 2.846 N/A GLN 35.A N CYS 30.A O no hydrogen 3.292 N/A GLN 35.A NE2 HIS 11.A O no hydrogen 3.591 N/A ALA 37.A N VAL 289.A O no hydrogen 3.186 N/A VAL 38.A N LEU 13.A O no hydrogen 2.835 N/A VAL 39.A N ALA 287.A O no hydrogen 3.005 N/A SER 40.A N LEU 15.A O no hydrogen 3.392 N/A VAL 42.A N GLY 285.A O no hydrogen 3.047 N/A LYS 44.A N GLY 41.A O no hydrogen 2.981 N/A LYS 45.A N VAL 42.A O no hydrogen 3.074 N/A MET 46.A N VAL 42.A O no hydrogen 3.127 N/A ASN 47.A N ASP 119.A OD1 no hydrogen 3.314 N/A ASN 47.A N ASP 119.A OD2 no hydrogen 3.082 N/A SER 49.A OG ASN 47.A OD1 no hydrogen 2.812 N/A LEU 50.A N ASN 47.A O no hydrogen 2.956 N/A TRP 51.A N ILE 48.A O no hydrogen 2.936 N/A TRP 51.A NE1 ASP 119.A OD2 no hydrogen 2.804 N/A LYS 52.A N SER 49.A O no hydrogen 3.401 N/A SER 55.A OG LEU 50.A O no hydrogen 3.506 N/A ILE 56.A N LYS 52.A O no hydrogen 2.898 N/A SER 57.A N ALA 53.A O no hydrogen 2.788 N/A LEU 58.A N GLU 54.A O no hydrogen 3.293 N/A ASP 59.A N SER 55.A O no hydrogen 3.108 N/A PHE 60.A N ILE 56.A O no hydrogen 3.142 N/A HIS 63.A N PHE 60.A O no hydrogen 3.391 N/A LEU 68.A N LYS 99.A O no hydrogen 2.989 N/A ASN 69.A N ILE 74.A O no hydrogen 3.033 N/A CYS 70.A N VAL 97.A O no hydrogen 2.886 N/A CYS 70.A SG VAL 97.A O no hydrogen 3.621 N/A LYS 71.A N ASN 69.A OD1 no hydrogen 2.909 N/A LYS 71.A NZ ASP 163.A OD2 no hydrogen 2.729 N/A SER 73.A N ASN 69.A O no hydrogen 2.697 N/A ILE 74.A N ASP 72.A OD1 no hydrogen 2.892 N/A SER 76.A N LEU 67.A O no hydrogen 2.722 N/A ALA 78.A N SER 76.A OG no hydrogen 3.026 N/A LYS 81.A NZ ASP 85.A OD2 no hydrogen 3.481 N/A GLU 82.A N ASN 79.A OD1 no hydrogen 2.803 N/A PHE 83.A N ASN 79.A O no hydrogen 2.941 N/A TRP 84.A N VAL 80.A O no hydrogen 3.115 N/A ASP 85.A N LYS 81.A O no hydrogen 3.009 N/A GLY 86.A N GLU 82.A O no hydrogen 3.136 N/A GLY 86.A N PHE 83.A O no hydrogen 3.172 N/A PHE 87.A N TRP 84.A O no hydrogen 3.176 N/A VAL 90.A N LYS 189.A O no hydrogen 3.101 N/A LYS 92.A N GLU 89.A O no hydrogen 3.110 N/A ARG 93.A N VAL 90.A O no hydrogen 3.109 N/A ARG 93.A NE GLY 86.A O no hydrogen 2.826 N/A ARG 93.A NH2 GLY 86.A O no hydrogen 3.180 N/A ARG 93.A NH2 PHE 87.A O no hydrogen 3.236 N/A LYS 99.A N LEU 68.A O no hydrogen 2.968 N/A LYS 99.A NZ THR 168.A O no hydrogen 2.896 N/A LEU 100.A N SER 154.A O no hydrogen 2.819 N/A TRP 103.A N LEU 152.A O no hydrogen 3.266 N/A SER 105.A OG ASP 102.A O no hydrogen 3.164 N/A GLY 106.A N PRO 150.A O no hydrogen 2.868 N/A PHE 109.A N GLY 106.A O no hydrogen 3.004 N/A LYS 110.A N GLY 106.A O no hydrogen 3.178 N/A LYS 110.A NZ GLU 107.A OE2 no hydrogen 2.927 N/A THR 111.A N GLU 107.A O no hydrogen 2.871 N/A THR 111.A OG1 GLU 107.A O no hydrogen 3.157 N/A MET 112.A N ASP 108.A O no hydrogen 2.715 N/A MET 113.A N PHE 109.A O no hydrogen 2.969 N/A ARG 116.A NE LEU 50.A O no hydrogen 2.776 N/A ARG 116.A NH1 ASP 59.A OD2 no hydrogen 2.908 N/A ARG 116.A NH2 LEU 50.A O no hydrogen 3.033 N/A ARG 116.A NH2 ASP 59.A OD2 no hydrogen 2.763 N/A TYR 117.A N MET 113.A O no hydrogen 2.978 N/A GLU 118.A N PRO 114.A O no hydrogen 2.988 N/A ASP 119.A N ALA 115.A O no hydrogen 2.947 N/A LEU 120.A N ARG 116.A O no hydrogen 2.740 N/A LEU 121.A N TYR 117.A O no hydrogen 2.944 N/A LYS 122.A N GLU 118.A O no hydrogen 3.153 N/A SER 123.A N ASP 119.A O no hydrogen 2.993 N/A SER 123.A N LEU 120.A O no hydrogen 2.890 N/A SER 123.A OG ASP 119.A O no hydrogen 2.760 N/A LEU 124.A N LEU 120.A O no hydrogen 2.934 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.768 N/A TYR 129.A N LEU 126.A O no hydrogen 2.954 N/A TYR 129.A OH GLU 315.A OE2 no hydrogen 2.820 N/A CYS 130.A N LEU 126.A O no hydrogen 2.926 N/A CYS 130.A SG PRO 125.A O no hydrogen 3.538 N/A CYS 130.A SG LEU 126.A O no hydrogen 3.758 N/A ASN 131.A N PRO 127.A O no hydrogen 3.168 N/A ASN 131.A ND2 LEU 121.A O no hydrogen 3.023 N/A GLU 133.A N ASN 131.A OD1 no hydrogen 2.954 N/A GLY 134.A N ASN 131.A O no hydrogen 2.900 N/A PHE 136.A N GLU 128.A O no hydrogen 2.891 N/A ASN 137.A N GLY 134.A O no hydrogen 3.118 N/A ASN 137.A ND2 ASN 131.A O no hydrogen 3.056 N/A LEU 138.A N VAL 312.A O no hydrogen 2.736 N/A ALA 139.A N ASN 137.A OD1 no hydrogen 3.081 N/A SER 140.A OG PRO 132.A O no hydrogen 3.415 N/A HIS 141.A N LEU 138.A O no hydrogen 2.791 N/A LEU 142.A N LEU 138.A O no hydrogen 3.075 N/A PHE 146.A N PRO 143.A O no hydrogen 3.150 N/A VAL 147.A N GLY 144.A O no hydrogen 3.298 N/A ARG 148.A NH1 SER 176.A OG no hydrogen 2.602 N/A ARG 148.A NH2 GLU 174.A OE2 no hydrogen 3.151 N/A ARG 151.A N THR 308.A O no hydrogen 2.915 N/A ARG 151.A NH1 ASP 310.A OD1 no hydrogen 3.154 N/A ARG 151.A NH1 ASP 310.A OD2 no hydrogen 2.806 N/A ARG 151.A NH2 ASP 310.A OD1 no hydrogen 3.064 N/A LEU 152.A N PRO 104.A O no hydrogen 3.233 N/A CYS 153.A N.A GLN 306.A O no hydrogen 2.924 N/A CYS 153.A N.B GLN 306.A O no hydrogen 2.917 N/A CYS 153.A SG.B ASP 102.A OD1 no hydrogen 3.711 N/A CYS 153.A SG.B LEU 152.A O no hydrogen 3.769 N/A SER 154.A N LEU 100.A O no hydrogen 3.130 N/A ALA 155.A N CYS 304.A O no hydrogen 3.093 N/A TYR 156.A N LEU 98.A O no hydrogen 2.958 N/A TYR 156.A OH PHE 83.A O no hydrogen 2.597 N/A VAL 158.A N ASN 300.A O no hydrogen 2.896 N/A LYS 162.A N VAL 159.A O no hydrogen 2.997 N/A HIS 164.A ND1 GLN 299.A OE1 no hydrogen 3.115 N/A ASP 165.A N ASP 163.A OD1 no hydrogen 3.115 N/A ILE 166.A N ASP 163.A O no hydrogen 3.241 N/A THR 168.A N VAL 298.A O no hydrogen 2.917 N/A THR 168.A OG1 VAL 298.A O no hydrogen 3.240 N/A THR 169.A N VAL 298.A O no hydrogen 2.991 N/A ASN 170.A ND2 GLN 257.A O no hydrogen 3.105 N/A LEU 171.A N TRP 259.A O no hydrogen 2.736 N/A HIS 172.A N HIS 296.A O no hydrogen 3.204 N/A HIS 172.A ND1 ASN 170.A O no hydrogen 2.924 N/A HIS 172.A NE2 GLU 174.A OE1 no hydrogen 2.877 N/A GLU 174.A N ALA 294.A O no hydrogen 3.134 N/A SER 176.A OG ASP 177.A O no hydrogen 3.045 N/A VAL 178.A N LEU 290.A O no hydrogen 2.862 N/A VAL 179.A N GLU 309.A O no hydrogen 2.927 N/A ASN 180.A N ILE 288.A O no hydrogen 2.794 N/A ASN 180.A ND2.A ILE 288.A O no hydrogen 3.235 N/A ILE 181.A N VAL 307.A O no hydrogen 2.871 N/A LEU 182.A N ASP 286.A O no hydrogen 3.200 N/A VAL 183.A N ILE 305.A O no hydrogen 2.969 N/A TYR 184.A N ILE 305.A O no hydrogen 3.399 N/A TYR 184.A OH GLU 88.A OE2 no hydrogen 2.490 N/A GLY 186.A N SER 303.A O no hydrogen 2.701 N/A LYS 189.A N GLU 88.A O no hydrogen 2.858 N/A ILE 193.A N GLY 190.A O no hydrogen 2.947 N/A ILE 199.A N SER 195.A O no hydrogen 2.788 N/A LEU 200.A N LYS 196.A O no hydrogen 3.038 N/A LYS 201.A N ALA 197.A O no hydrogen 3.197 N/A LYS 202.A N GLY 198.A O no hydrogen 3.038 N/A PHE 203.A N ILE 199.A O no hydrogen 2.983 N/A GLU 204.A N LEU 200.A O no hydrogen 2.997 N/A GLU 205.A N LYS 201.A O no hydrogen 3.135 N/A GLU 205.A N LYS 202.A O no hydrogen 3.171 N/A GLU 206.A N PHE 203.A O no hydrogen 3.030 N/A ILE 211.A N ASP 209.A OD1 no hydrogen 2.847 N/A ARG 213.A N ASP 209.A O no hydrogen 3.067 N/A ARG 213.A NH1 GLU 204.A O no hydrogen 3.008 N/A ARG 213.A NH2 GLU 204.A O no hydrogen 3.160 N/A LYS 214.A N ASP 210.A O no hydrogen 2.914 N/A ARG 215.A N ILE 211.A O no hydrogen 3.241 N/A ARG 215.A NE GLU 221.A OE2 no hydrogen 3.275 N/A ARG 215.A NH1 ASP 286.A OD2 no hydrogen 3.127 N/A ARG 215.A NH2 GLU 221.A OE1 no hydrogen 3.237 N/A ARG 215.A NH2 GLU 221.A OE2 no hydrogen 3.212 N/A ARG 215.A NH2 ASP 286.A OD1 no hydrogen 3.047 N/A LEU 216.A N LEU 212.A O no hydrogen 2.950 N/A LYS 217.A N ARG 213.A O no hydrogen 2.903 N/A LYS 217.A N LYS 214.A O no hydrogen 2.975 N/A ASP 218.A N ARG 215.A O no hydrogen 2.925 N/A SER 220.A N ASP 218.A OD1 no hydrogen 2.863 N/A SER 220.A OG ASP 218.A OD1 no hydrogen 2.628 N/A SER 220.A OG ASP 218.A OD2 no hydrogen 3.409 N/A GLU 221.A N ASP 218.A O no hydrogen 2.890 N/A GLY 224.A N GLN 282.A O no hydrogen 2.949 N/A ALA 225.A N GLN 282.A O no hydrogen 3.380 N/A LEU 226.A N GLN 299.A O no hydrogen 2.835 N/A TRP 227.A N LEU 280.A O no hydrogen 2.780 N/A TRP 227.A NE1 GLN 282.A OE1 no hydrogen 3.010 N/A HIS 228.A N GLN 297.A O no hydrogen 3.061 N/A ILE 229.A N CYS 278.A O no hydrogen 2.908 N/A TYR 230.A N LEU 295.A O no hydrogen 2.810 N/A TYR 230.A OH THR 277.A OG1 no hydrogen 2.649 N/A LYS 233.A NZ ASP 234.A OD2 no hydrogen 3.311 N/A ASP 234.A N ALA 231.A O no hydrogen 3.006 N/A VAL 235.A N GLY 232.A O no hydrogen 3.166 N/A ILE 238.A N ASP 234.A O no hydrogen 3.018 N/A ARG 239.A N VAL 235.A O no hydrogen 2.858 N/A ARG 239.A NE ASP 252.A OD1 no hydrogen 2.917 N/A GLU 240.A N ASP 236.A O no hydrogen 3.169 N/A PHE 241.A N LYS 237.A O no hydrogen 2.962 N/A LEU 242.A N ILE 238.A O no hydrogen 2.920 N/A GLN 243.A N ARG 239.A O no hydrogen 2.928 N/A GLN 243.A NE2 HIS 251.A O no hydrogen 2.648 N/A LYS 244.A N GLU 240.A O no hydrogen 2.842 N/A LYS 244.A NZ GLU 272.A OE1 no hydrogen 2.516 N/A ILE 245.A N PHE 241.A O no hydrogen 2.964 N/A SER 246.A N LEU 242.A O no hydrogen 2.907 N/A LYS 247.A N GLN 243.A O no hydrogen 3.065 N/A GLU 248.A N LYS 244.A O no hydrogen 2.938 N/A GLN 249.A N ILE 245.A O no hydrogen 3.139 N/A GLN 249.A N SER 246.A O no hydrogen 3.044 N/A ILE 254.A N ASP 252.A OD1 no hydrogen 3.121 N/A ARG 255.A N ASP 252.A OD1 no hydrogen 3.335 N/A ASP 256.A N ASP 252.A O no hydrogen 2.989 N/A GLN 257.A N ILE 254.A O no hydrogen 3.306 N/A VAL 261.A N GLN 297.A OE1 no hydrogen 2.806 N/A LEU 265.A N ASN 262.A OD1 no hydrogen 3.116 N/A ARG 266.A N ASN 262.A O no hydrogen 2.953 N/A ARG 266.A NH1 VAL 261.A O no hydrogen 2.900 N/A GLN 267.A N LYS 263.A O no hydrogen 3.155 N/A GLN 267.A NE2 GLU 271.A OE2 no hydrogen 2.852 N/A ARG 268.A N LYS 264.A O no hydrogen 3.047 N/A ARG 268.A NE GLU 272.A OE2 no hydrogen 2.648 N/A ARG 268.A NH1 GLU 248.A OE1 no hydrogen 3.171 N/A ARG 268.A NH2 GLU 248.A OE2 no hydrogen 3.186 N/A ARG 268.A NH2 GLU 272.A OE1 no hydrogen 3.127 N/A ARG 268.A NH2 GLU 272.A OE2 no hydrogen 3.211 N/A LEU 269.A N LEU 265.A O no hydrogen 2.825 N/A LEU 270.A N ARG 266.A O no hydrogen 3.130 N/A GLU 271.A N GLN 267.A O no hydrogen 3.002 N/A GLU 272.A N ARG 268.A O no hydrogen 2.809 N/A TYR 273.A N LEU 269.A O no hydrogen 3.065 N/A GLY 274.A N LEU 270.A O no hydrogen 2.748 N/A ARG 276.A NH1 GLU 9.A OE1 no hydrogen 2.779 N/A THR 277.A OG1 TYR 230.A OH no hydrogen 2.649 N/A CYS 278.A N ILE 229.A O no hydrogen 2.977 N/A CYS 278.A SG HIS 11.A ND1 no hydrogen 3.488 N/A LEU 280.A N TRP 227.A O no hydrogen 3.050 N/A GLN 282.A N ALA 225.A O no hydrogen 2.842 N/A GLN 282.A NE2 ASN 180.A OD1.B no hydrogen 3.211 N/A GLN 282.A NE2 ASP 286.A O no hydrogen 3.162 N/A GLN 282.A NE2 GLN 306.A OE1.B no hydrogen 3.053 N/A PHE 283.A N ASP 286.A OD2 no hydrogen 2.862 N/A LEU 284.A N ILE 222.A O no hydrogen 2.781 N/A GLY 285.A N LEU 182.A O no hydrogen 2.835 N/A ASP 286.A N PHE 283.A O no hydrogen 2.876 N/A ALA 287.A N VAL 39.A O no hydrogen 2.890 N/A ILE 288.A N ASN 180.A O no hydrogen 2.724 N/A VAL 289.A N ALA 37.A O no hydrogen 2.724 N/A LEU 290.A N VAL 178.A O no hydrogen 2.806 N/A ALA 292.A N ASP 177.A OD1 no hydrogen 2.901 N/A GLY 293.A N GLU 174.A O no hydrogen 2.828 N/A ALA 294.A N PRO 291.A O no hydrogen 3.018 N/A LEU 295.A N TYR 230.A O no hydrogen 3.049 N/A HIS 296.A N HIS 172.A O no hydrogen 3.155 N/A HIS 296.A NE2 GLU 174.A OE1 no hydrogen 3.290 N/A GLN 297.A N HIS 228.A O no hydrogen 2.951 N/A GLN 297.A NE2 HIS 228.A ND1 no hydrogen 3.232 N/A GLN 297.A NE2 VAL 261.A O no hydrogen 3.002 N/A VAL 298.A N THR 169.A O no hydrogen 2.869 N/A GLN 299.A N LEU 226.A O no hydrogen 2.817 N/A GLN 299.A NE2 HIS 164.A O no hydrogen 2.976 N/A GLN 299.A NE2 ILE 166.A O no hydrogen 2.793 N/A ASN 300.A N THR 168.A OG1 no hydrogen 2.978 N/A ASN 300.A ND2 ALA 155.A O no hydrogen 3.352 N/A PHE 301.A N GLY 224.A O no hydrogen 2.999 N/A HIS 302.A N GLY 224.A O no hydrogen 3.386 N/A SER 303.A N GLY 186.A O no hydrogen 3.063 N/A SER 303.A OG PHE 87.A O no hydrogen 2.659 N/A CYS 304.A N ALA 155.A O no hydrogen 3.087 N/A CYS 304.A SG HIS 302.A O no hydrogen 3.550 N/A ILE 305.A N TYR 184.A O no hydrogen 2.944 N/A GLN 306.A N CYS 153.A O.A no hydrogen 2.792 N/A GLN 306.A N CYS 153.A O.B no hydrogen 2.788 N/A GLN 306.A NE2.A GLN 282.A OE1 no hydrogen 3.306 N/A GLN 306.A NE2.B GLN 282.A OE1 no hydrogen 2.273 N/A VAL 307.A N ILE 181.A O no hydrogen 2.911 N/A THR 308.A N ARG 151.A O no hydrogen 2.958 N/A THR 308.A OG1 ASN 180.A OD1.A no hydrogen 2.775 N/A GLU 309.A N VAL 179.A O no hydrogen 2.973 N/A PHE 311.A N ASP 177.A O no hydrogen 3.110 N/A VAL 312.A N ASN 137.A OD1 no hydrogen 2.933 N/A SER 313.A N ASP 177.A OD2 no hydrogen 2.957 N/A SER 313.A OG ASP 177.A OD2 no hydrogen 2.587 N/A GLU 315.A N GLU 315.A OE1 no hydrogen 2.825 N/A LEU 317.A N PRO 314.A O no hydrogen 3.234 N/A SER 320.A N HIS 316.A O no hydrogen 2.767 N/A SER 320.A OG VAL 175.A O no hydrogen 2.985 N/A PHE 321.A N LEU 317.A O no hydrogen 2.677 N/A HIS 322.A N VAL 318.A O no hydrogen 3.036 N/A LEU 323.A N GLU 319.A O no hydrogen 3.114 N/A THR 324.A N SER 320.A O no hydrogen 2.863 N/A THR 324.A OG1 SER 320.A O no hydrogen 2.863 N/A GLN 325.A N PHE 321.A O no hydrogen 2.774 N/A GLU 326.A N HIS 322.A O no hydrogen 2.961 N/A LEU 327.A N LEU 323.A O no hydrogen 3.158 N/A