Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pxl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 3.A OD1 no hydrogen 2.877 N/A PHE 4.A N MET 1.A O no hydrogen 3.291 N/A GLN 5.A N ARG 22.A O no hydrogen 3.367 N/A VAL 7.A N LYS 20.A O no hydrogen 2.624 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 3.107 N/A GLY 11.A N VAL 18.A O no hydrogen 3.064 N/A VAL 18.A N GLY 11.A O no hydrogen 3.432 N/A TYR 19.A N LEU 32.A O no hydrogen 2.793 N/A LYS 20.A N GLU 8.A O no hydrogen 2.961 N/A ALA 21.A N VAL 30.A O no hydrogen 2.942 N/A ARG 22.A N GLN 5.A O no hydrogen 3.428 N/A ASN 23.A N GLU 28.A O no hydrogen 2.898 N/A LYS 24.A N ASN 3.A O no hydrogen 2.652 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.733 N/A THR 26.A OG1 GLU 28.A OE2 no hydrogen 2.574 N/A GLY 27.A N ASN 23.A O no hydrogen 2.593 N/A VAL 30.A N ALA 21.A O no hydrogen 2.902 N/A ALA 31.A N PHE 72.A O no hydrogen 2.907 N/A LEU 32.A N TYR 19.A O no hydrogen 2.645 N/A LYS 33.A N LEU 70.A O no hydrogen 2.722 N/A LYS 33.A NZ.A ASP 137.A OD2 no hydrogen 3.540 N/A LYS 33.A NZ.B ASP 137.A OD1 no hydrogen 3.343 N/A LYS 34.A N VAL 17.A O no hydrogen 3.283 N/A ILE 35.A N LEU 68.A O no hydrogen 2.544 N/A ALA 40.A N PRO 37.A O no hydrogen 2.824 N/A ILE 41.A N PRO 37.A O no hydrogen 3.368 N/A ARG 42.A N SER 38.A O no hydrogen 2.926 N/A ARG 42.A NH1 SER 38.A OG no hydrogen 3.085 N/A GLU 43.A N THR 39.A O no hydrogen 3.062 N/A ILE 44.A N ALA 40.A O no hydrogen 2.630 N/A SER 45.A OG ILE 41.A O no hydrogen 2.646 N/A LEU 46.A N ARG 42.A O no hydrogen 2.982 N/A LEU 46.A N GLU 43.A O no hydrogen 3.252 N/A LYS 48.A N SER 45.A O no hydrogen 3.171 N/A GLU 49.A N LEU 46.A O no hydrogen 3.333 N/A LEU 50.A N LEU 47.A O no hydrogen 2.852 N/A ASN 51.A N GLU 49.A O no hydrogen 3.044 N/A ASN 51.A ND2 LYS 48.A O no hydrogen 3.399 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.084 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 3.062 N/A ILE 55.A N HIS 52.A O no hydrogen 2.859 N/A VAL 56.A N LEU 135.A O no hydrogen 2.808 N/A LYS 57.A N GLU 73.A OE2 no hydrogen 2.739 N/A LYS 57.A NZ ASN 51.A OD1 no hydrogen 3.418 N/A ASP 60.A N VAL 71.A O no hydrogen 3.143 N/A ILE 62.A N TYR 69.A O no hydrogen 2.757 N/A THR 64.A N LYS 67.A O no hydrogen 3.102 N/A TYR 69.A N ILE 62.A O no hydrogen 2.776 N/A LEU 70.A N LYS 33.A O no hydrogen 2.620 N/A VAL 71.A N ASP 60.A O no hydrogen 2.982 N/A PHE 72.A N ALA 31.A O no hydrogen 2.987 N/A GLU 73.A N LYS 57.A O no hydrogen 2.880 N/A LEU 79.A N LEU 125.A O no hydrogen 2.844 N/A LYS 80.A N PRO 122.A O no hydrogen 3.305 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.743 N/A PHE 82.A N ASP 78.A O no hydrogen 3.139 N/A MET 83.A N LEU 79.A O no hydrogen 2.619 N/A ASP 84.A N LYS 80.A O no hydrogen 2.987 N/A ALA 85.A N LYS 81.A O no hydrogen 2.852 N/A SER 86.A N MET 83.A O no hydrogen 3.217 N/A SER 86.A OG PHE 82.A O no hydrogen 2.823 N/A ALA 87.A N ASP 84.A O no hydrogen 3.215 N/A THR 89.A OG1 GLY 90.A O no hydrogen 3.522 N/A GLY 90.A N SER 86.A O no hydrogen 2.473 N/A LEU 95.A N PRO 92.A O no hydrogen 2.758 N/A ILE 96.A N PRO 92.A O no hydrogen 3.103 N/A LYS 97.A N LEU 93.A O no hydrogen 2.819 N/A LYS 97.A NZ PHE 277.A O no hydrogen 2.984 N/A LYS 97.A NZ ASP 280.A OD2 no hydrogen 2.663 N/A SER 98.A N PRO 94.A O no hydrogen 3.152 N/A SER 98.A OG THR 282.A O no hydrogen 3.270 N/A TYR 99.A N LEU 95.A O no hydrogen 2.978 N/A LEU 100.A N ILE 96.A O no hydrogen 3.010 N/A PHE 101.A N LYS 97.A O no hydrogen 3.122 N/A GLN 102.A N SER 98.A O no hydrogen 2.981 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.416 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.049 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 3.056 N/A LEU 103.A N TYR 99.A O no hydrogen 2.856 N/A LEU 104.A N LEU 100.A O no hydrogen 2.711 N/A GLN 105.A N PHE 101.A O no hydrogen 2.971 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.660 N/A GLY 106.A N GLN 102.A O no hydrogen 2.836 N/A LEU 107.A N LEU 103.A O no hydrogen 2.825 N/A ALA 108.A N LEU 104.A O no hydrogen 2.848 N/A PHE 109.A N GLN 105.A O no hydrogen 3.186 N/A CYS 110.A N GLY 106.A O no hydrogen 3.038 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.484 N/A HIS 111.A N LEU 107.A O no hydrogen 2.769 N/A HIS 111.A NE2 ASP 177.A OD2 no hydrogen 2.763 N/A SER 112.A N ALA 108.A O no hydrogen 2.862 N/A SER 112.A OG PHE 109.A O no hydrogen 2.915 N/A SER 112.A OG HIS 113.A ND1 no hydrogen 2.905 N/A HIS 113.A N PHE 109.A O no hydrogen 3.320 N/A HIS 113.A N CYS 110.A O no hydrogen 3.041 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 3.031 N/A HIS 113.A ND1 SER 112.A OG no hydrogen 2.905 N/A ARG 114.A N HIS 111.A O no hydrogen 2.871 N/A VAL 115.A N CYS 110.A O no hydrogen 2.893 N/A HIS 117.A N ASP 177.A OD2 no hydrogen 2.925 N/A ARG 118.A N ASP 177.A OD1 no hydrogen 2.944 N/A ARG 118.A NH1 TYR 172.A OH no hydrogen 3.443 N/A LYS 121.A NZ ASP 119.A OD1 no hydrogen 3.448 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 2.537 N/A GLN 123.A N GLN 123.A OE1 no hydrogen 2.773 N/A ASN 124.A N LYS 121.A O no hydrogen 2.755 N/A LEU 125.A N PRO 122.A O no hydrogen 3.381 N/A LEU 126.A N LYS 134.A O no hydrogen 2.835 N/A ILE 127.A N GLN 77.A O no hydrogen 2.803 N/A ASN 128.A N ALA 132.A O no hydrogen 3.213 N/A THR 129.A OG1 GLU 130.A OE2 no hydrogen 3.394 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 2.829 N/A GLY 131.A N ASN 128.A O no hydrogen 3.330 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 2.872 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.158 N/A LYS 134.A N LEU 126.A O no hydrogen 2.691 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.073 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.231 N/A LEU 135.A N ASN 54.A O no hydrogen 2.796 N/A ALA 136.A N ASN 124.A O no hydrogen 2.763 N/A ALA 143.A N GLY 139.A O no hydrogen 3.315 N/A PHE 144.A N ALA 141.A O no hydrogen 3.355 N/A THR 152.A OG1 GLU 154.A OE1 no hydrogen 3.281 N/A TYR 160.A OH GLU 187.A OE1 no hydrogen 2.518 N/A TYR 160.A OH GLU 187.A OE2 no hydrogen 3.379 N/A ARG 161.A N LEU 158.A O no hydrogen 2.920 N/A ARG 161.A NH2 ASP 119.A OD1 no hydrogen 3.382 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.908 N/A ILE 165.A N ALA 162.A O no hydrogen 3.124 N/A LEU 166.A N ALA 162.A O no hydrogen 3.347 N/A LEU 167.A N PRO 163.A O no hydrogen 2.724 N/A GLY 168.A N ILE 165.A O no hydrogen 3.207 N/A CYS 169.A N GLU 164.A O no hydrogen 2.885 N/A ALA 175.A N SER 173.A OG no hydrogen 3.429 N/A VAL 176.A N SER 173.A O no hydrogen 3.132 N/A ASP 177.A N THR 174.A O no hydrogen 3.074 N/A TRP 179.A N ALA 175.A O no hydrogen 3.191 N/A SER 180.A N VAL 176.A O no hydrogen 3.070 N/A SER 180.A OG TYR 160.A O no hydrogen 2.690 N/A SER 180.A OG VAL 176.A O no hydrogen 2.788 N/A LEU 181.A N ASP 177.A O no hydrogen 2.874 N/A GLY 182.A N ILE 178.A O no hydrogen 2.833 N/A CYS 183.A N TRP 179.A O no hydrogen 3.068 N/A CYS 183.A SG TRP 179.A O no hydrogen 3.463 N/A ILE 184.A N SER 180.A O no hydrogen 3.074 N/A PHE 185.A N LEU 181.A O no hydrogen 2.816 N/A ALA 186.A N GLY 182.A O no hydrogen 2.974 N/A GLU 187.A N CYS 183.A O no hydrogen 2.904 N/A MET 188.A N ILE 184.A O no hydrogen 2.828 N/A VAL 189.A N PHE 185.A O no hydrogen 3.146 N/A THR 190.A N ALA 186.A O no hydrogen 2.893 N/A THR 190.A OG1 ALA 186.A O no hydrogen 3.221 N/A ARG 191.A N GLU 187.A O no hydrogen 2.868 N/A ARG 191.A NH1 ALA 87.A O no hydrogen 3.335 N/A GLY 197.A N PHE 195.A O no hydrogen 2.882 N/A ASP 198.A N ASP 202.A OD2 no hydrogen 3.120 N/A ASP 202.A N SER 199.A OG no hydrogen 3.091 N/A GLN 203.A N SER 199.A O no hydrogen 2.773 N/A GLN 203.A NE2 TRP 159.A O no hydrogen 3.393 N/A GLN 203.A NE2 PHE 195.A O no hydrogen 3.086 N/A LEU 204.A N GLU 200.A O no hydrogen 2.998 N/A PHE 205.A N ILE 201.A O no hydrogen 2.860 N/A ARG 206.A N ASP 202.A O no hydrogen 2.857 N/A ARG 206.A NE ASP 202.A OD2 no hydrogen 2.879 N/A ILE 207.A N GLN 203.A O no hydrogen 3.221 N/A PHE 208.A N LEU 204.A O no hydrogen 2.910 N/A ARG 209.A N PHE 205.A O no hydrogen 2.843 N/A ARG 209.A NH2 ASP 202.A OD1 no hydrogen 3.242 N/A THR 210.A N ARG 206.A O no hydrogen 3.325 N/A THR 210.A N ILE 207.A O no hydrogen 3.154 N/A THR 210.A OG1 ARG 206.A O no hydrogen 3.249 N/A LEU 211.A N ILE 207.A O no hydrogen 2.838 N/A GLY 212.A N PHE 208.A O no hydrogen 2.761 N/A THR 213.A N TRP 235.A O no hydrogen 3.077 N/A THR 213.A OG1 PRO 233.A O no hydrogen 2.567 N/A VAL 217.A N ASP 215.A OD1 no hydrogen 2.754 N/A VAL 218.A N ASP 215.A OD1 no hydrogen 3.275 N/A TRP 219.A N ASP 215.A O no hydrogen 2.833 N/A GLY 221.A N GLU 216.A OE1 no hydrogen 2.603 N/A VAL 222.A N TRP 219.A O no hydrogen 2.962 N/A THR 223.A N GLU 216.A OE2 no hydrogen 2.988 N/A THR 223.A OG1 GLU 216.A OE2 no hydrogen 2.624 N/A SER 224.A N GLY 221.A O no hydrogen 2.797 N/A SER 224.A OG GLY 221.A O no hydrogen 3.362 N/A MET 225.A N VAL 222.A O no hydrogen 3.167 N/A ASP 227.A N LEU 167.A O no hydrogen 2.777 N/A TYR 228.A N MET 225.A O no hydrogen 3.150 N/A PHE 232.A N LYS 229.A O no hydrogen 2.797 N/A TRP 235.A N THR 213.A OG1 no hydrogen 2.810 N/A ARG 237.A NH1 LEU 211.A O no hydrogen 2.861 N/A GLN 238.A N THR 210.A O no hydrogen 3.137 N/A SER 241.A OG ASP 239.A OD2 no hydrogen 2.942 N/A LYS 242.A N ASP 239.A O no hydrogen 2.953 N/A LYS 242.A NZ GLN 238.A OE1 no hydrogen 2.689 N/A VAL 243.A N PHE 240.A O no hydrogen 2.971 N/A VAL 244.A N PHE 240.A O no hydrogen 3.398 N/A LEU 247.A N VAL 244.A O no hydrogen 2.890 N/A ASP 250.A N ASP 248.A OD1 no hydrogen 2.629 N/A GLY 251.A N ASP 248.A OD1 no hydrogen 3.308 N/A ARG 252.A N ASP 248.A O no hydrogen 2.979 N/A ARG 252.A NH2 GLU 249.A OE1 no hydrogen 2.603 N/A SER 253.A N GLU 249.A O no hydrogen 3.104 N/A LEU 254.A N ASP 250.A O no hydrogen 3.053 N/A LEU 255.A N GLY 251.A O no hydrogen 2.805 N/A SER 256.A N ARG 252.A O no hydrogen 3.111 N/A SER 256.A OG ARG 252.A O no hydrogen 3.127 N/A SER 256.A OG SER 253.A O no hydrogen 2.898 N/A GLN 257.A N SER 253.A O no hydrogen 3.353 N/A GLN 257.A N LEU 254.A O no hydrogen 3.125 N/A MET 258.A N LEU 254.A O no hydrogen 3.041 N/A MET 258.A N LEU 255.A O no hydrogen 2.903 N/A LEU 259.A N LEU 255.A O no hydrogen 2.912 N/A TYR 261.A OH GLY 212.A O no hydrogen 2.495 N/A ASN 264.A N ASP 262.A OD1 no hydrogen 2.840 N/A LYS 265.A N ASP 262.A O no hydrogen 2.803 N/A ARG 266.A N ASP 262.A O no hydrogen 2.864 N/A ARG 266.A N PRO 263.A O no hydrogen 3.201 N/A ARG 266.A NE HIS 260.A O no hydrogen 2.875 N/A ARG 266.A NH1 GLU 164.A OE1 no hydrogen 3.283 N/A ARG 266.A NH1 GLU 164.A OE2 no hydrogen 2.798 N/A ARG 266.A NH1 ALA 175.A O no hydrogen 2.722 N/A ARG 266.A NH2 GLU 164.A OE1 no hydrogen 2.634 N/A ARG 266.A NH2 HIS 260.A O no hydrogen 3.225 N/A ARG 266.A NH2 TYR 261.A O no hydrogen 3.073 N/A ILE 267.A N GLN 257.A O no hydrogen 3.021 N/A ALA 271.A N SER 268.A OG no hydrogen 3.258 N/A ALA 272.A N SER 268.A O no hydrogen 2.870 N/A LEU 273.A N ALA 269.A O no hydrogen 3.214 N/A LEU 273.A N LYS 270.A O no hydrogen 3.324 N/A ALA 274.A N ALA 271.A O no hydrogen 3.135 N/A HIS 275.A N ALA 272.A O no hydrogen 3.200 N/A PHE 277.A N HIS 275.A ND1 no hydrogen 3.001 N/A PHE 278.A N HIS 275.A O no hydrogen 2.911 N/A GLN 279.A N PRO 276.A O no hydrogen 2.761 N/A VAL 281.A N PHE 278.A O no hydrogen 3.052 N/A