Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rod_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N SER 210.A OG no hydrogen 3.127 N/A SER 5.A N THR 8.A OG1 no hydrogen 3.269 N/A SER 5.A OG THR 8.A OG1 no hydrogen 2.757 N/A LYS 6.A NZ ASP 140.A OD1 no hydrogen 3.413 N/A LYS 6.A NZ ASP 140.A OD2 no hydrogen 2.409 N/A LYS 6.A NZ THR 142.A OG1 no hydrogen 2.634 N/A THR 8.A N SER 5.A O no hydrogen 3.022 N/A THR 8.A OG1 SER 5.A O no hydrogen 3.290 N/A THR 8.A OG1 SER 5.A OG no hydrogen 2.757 N/A TYR 9.A N LYS 6.A O no hydrogen 3.051 N/A TYR 9.A OH TYR 202.A OH no hydrogen 2.970 N/A LEU 10.A N LYS 6.A O no hydrogen 3.345 N/A SER 11.A OG ASP 7.A O no hydrogen 3.328 N/A SER 11.A OG HIS 12.A ND1 no hydrogen 2.478 N/A HIS 12.A N THR 8.A O no hydrogen 2.722 N/A HIS 12.A ND1 SER 11.A OG no hydrogen 2.478 N/A PHE 13.A N TYR 9.A O no hydrogen 3.394 N/A ARG 16.A NH2 ASN 14.A OD1 no hydrogen 3.395 N/A ASP 17.A N ASN 14.A OD1 no hydrogen 2.476 N/A TYR 18.A N ASN 14.A O no hydrogen 2.975 N/A LEU 19.A N PRO 15.A O no hydrogen 3.110 N/A GLU 20.A N ARG 16.A O no hydrogen 3.172 N/A LYS 21.A N ASP 17.A O no hydrogen 2.828 N/A TYR 22.A N TYR 18.A O no hydrogen 2.863 N/A TYR 22.A OH MET 203.A O no hydrogen 2.742 N/A TYR 23.A N LEU 19.A O no hydrogen 2.767 N/A TYR 23.A OH TYR 67.A OH no hydrogen 3.405 N/A SER 30.A N ARG 28.A O no hydrogen 2.501 N/A SER 30.A OG SER 33.A OG no hydrogen 3.229 N/A SER 33.A N SER 30.A OG no hydrogen 2.967 N/A SER 33.A OG SER 30.A OG no hydrogen 3.229 N/A GLN 34.A N SER 30.A O no hydrogen 2.846 N/A ILE 35.A N ALA 31.A O no hydrogen 2.907 N/A LEU 36.A N GLU 32.A O no hydrogen 3.060 N/A LYS 37.A N SER 33.A O no hydrogen 2.851 N/A LYS 37.A NZ GLN 34.A OE1 no hydrogen 2.269 N/A HIS 38.A N GLN 34.A O no hydrogen 3.181 N/A HIS 38.A N ILE 35.A O no hydrogen 2.853 N/A HIS 38.A NE2 GLU 234.A OE1 no hydrogen 2.869 N/A HIS 38.A NE2 GLU 234.A OE2 no hydrogen 3.282 N/A LEU 39.A N ILE 35.A O no hydrogen 3.013 N/A LEU 40.A N LEU 36.A O no hydrogen 3.071 N/A LYS 41.A N LYS 37.A O no hydrogen 3.099 N/A ASN 42.A N HIS 38.A O no hydrogen 3.035 N/A ASN 42.A ND2 GLU 234.A OE2 no hydrogen 3.083 N/A LEU 43.A N LEU 39.A O no hydrogen 2.930 N/A PHE 44.A N LEU 40.A O no hydrogen 2.902 N/A LYS 45.A N LYS 41.A O no hydrogen 2.826 N/A ILE 46.A N ASN 42.A O no hydrogen 2.793 N/A PHE 47.A N LEU 43.A O no hydrogen 2.883 N/A CYS 48.A N PHE 44.A O no hydrogen 2.672 N/A CYS 48.A SG GLU 116.A OE2 no hydrogen 3.558 N/A ASP 50.A N LYS 45.A O no hydrogen 3.142 N/A GLY 54.A N SER 75.A O no hydrogen 3.209 N/A ASP 55.A N ASP 156.A OD2 no hydrogen 2.519 N/A LEU 56.A N ASP 156.A OD2 no hydrogen 2.767 N/A LEU 57.A N GLU 78.A O no hydrogen 3.037 N/A ILE 58.A N CYS 157.A O no hydrogen 2.852 N/A ASP 59.A N VAL 80.A O no hydrogen 2.854 N/A ILE 60.A N LEU 159.A O no hydrogen 2.579 N/A SER 62.A N THR 82.A O no hydrogen 2.713 N/A SER 62.A OG ASP 59.A O no hydrogen 3.165 N/A SER 62.A OG ASP 59.A OD2 no hydrogen 2.345 N/A SER 62.A OG THR 82.A O no hydrogen 3.330 N/A GLY 63.A N ASP 83.A OD1 no hydrogen 2.694 N/A THR 65.A N SER 62.A O no hydrogen 3.340 N/A THR 65.A OG1 SER 62.A O no hydrogen 3.274 N/A THR 65.A OG1 GLN 68.A OE1 no hydrogen 2.707 N/A TYR 67.A OH TYR 23.A OH no hydrogen 3.405 N/A GLN 68.A N GLN 68.A OE1 no hydrogen 2.640 N/A GLN 68.A NE2 ASP 59.A OD2 no hydrogen 2.848 N/A GLN 68.A NE2 SER 62.A O no hydrogen 3.582 N/A GLN 68.A NE2 THR 65.A O no hydrogen 3.369 N/A LEU 69.A N ILE 66.A O no hydrogen 2.622 N/A LEU 70.A N TYR 67.A O no hydrogen 3.255 N/A SER 71.A OG GLU 116.A OE2 no hydrogen 2.910 N/A CYS 73.A SG LEU 70.A O no hydrogen 3.410 N/A GLU 74.A N SER 71.A O no hydrogen 2.751 N/A SER 75.A N ALA 72.A O no hydrogen 3.046 N/A SER 75.A OG PHE 47.A O no hydrogen 2.620 N/A PHE 76.A N ALA 72.A O no hydrogen 3.052 N/A LYS 77.A NZ ASP 55.A OD1 no hydrogen 3.328 N/A GLU 78.A N ASP 55.A O no hydrogen 2.977 N/A ILE 79.A N ALA 132.A O no hydrogen 2.998 N/A VAL 80.A N LEU 57.A O no hydrogen 2.857 N/A VAL 81.A N GLN 135.A O no hydrogen 3.205 N/A THR 82.A N ASP 59.A O no hydrogen 2.981 N/A THR 82.A OG1 ASP 59.A O no hydrogen 3.122 N/A ASP 83.A N LEU 137.A O no hydrogen 3.341 N/A SER 85.A N ASP 83.A OD2 no hydrogen 2.903 N/A GLN 87.A N GLN 87.A OE1 no hydrogen 2.984 N/A GLN 87.A NE2 TYR 9.A O no hydrogen 2.846 N/A GLN 87.A NE2 PHE 13.A O no hydrogen 2.579 N/A ASN 88.A N SER 85.A O no hydrogen 2.717 N/A ASN 88.A ND2 ASP 83.A OD2 no hydrogen 3.153 N/A LEU 89.A N SER 85.A O no hydrogen 3.275 N/A GLN 90.A N ASP 86.A O no hydrogen 3.121 N/A GLU 91.A N GLN 87.A O no hydrogen 3.335 N/A LEU 92.A N ASN 88.A O no hydrogen 2.976 N/A GLU 93.A N LEU 89.A O no hydrogen 2.857 N/A LYS 94.A N GLN 90.A O no hydrogen 3.187 N/A LEU 96.A N LEU 92.A O no hydrogen 3.041 N/A LYS 97.A N GLU 93.A O no hydrogen 3.062 N/A ALA 98.A N TRP 95.A O no hydrogen 2.787 N/A ALA 99.A N LYS 94.A O no hydrogen 2.931 N/A ALA 102.A N ALA 99.A O no hydrogen 2.989 N/A SER 106.A N ASP 104.A OD1 no hydrogen 3.085 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.593 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 3.357 N/A VAL 109.A N TRP 105.A O no hydrogen 2.683 N/A THR 110.A N SER 106.A O no hydrogen 2.616 N/A THR 110.A OG1 SER 106.A O no hydrogen 3.130 N/A TYR 111.A N PRO 107.A O no hydrogen 2.969 N/A VAL 112.A N VAL 108.A O no hydrogen 3.090 N/A CYS 113.A N VAL 109.A O no hydrogen 2.998 N/A CYS 113.A SG VAL 109.A O no hydrogen 3.823 N/A CYS 113.A SG VAL 120.A O no hydrogen 3.572 N/A ASP 114.A N THR 110.A O no hydrogen 3.234 N/A LEU 115.A N TYR 111.A O no hydrogen 3.257 N/A GLU 116.A N VAL 112.A O no hydrogen 3.112 N/A GLY 117.A N ASP 114.A O no hydrogen 2.742 N/A ARG 119.A NH1 GLY 117.A O no hydrogen 3.327 N/A GLU 124.A N LYS 121.A O no hydrogen 2.694 N/A LYS 125.A N LYS 121.A O no hydrogen 2.861 N/A LYS 125.A N GLY 122.A O no hydrogen 2.693 N/A LYS 125.A NZ LEU 70.A O no hydrogen 2.587 N/A LYS 125.A NZ GLU 74.A OE2 no hydrogen 3.118 N/A LYS 125.A NZ GLU 116.A OE1 no hydrogen 3.080 N/A GLU 126.A N GLY 122.A O no hydrogen 2.809 N/A GLU 127.A N PRO 123.A O no hydrogen 3.182 N/A LYS 128.A N GLU 124.A O no hydrogen 3.172 N/A LYS 128.A NZ GLU 74.A OE1 no hydrogen 3.315 N/A LEU 129.A N LYS 125.A O no hydrogen 3.190 N/A ARG 130.A N GLU 126.A O no hydrogen 3.017 N/A ARG 130.A NE TRP 95.A O no hydrogen 2.971 N/A ARG 130.A NH2 TRP 95.A O no hydrogen 2.989 N/A GLN 131.A N GLU 127.A O no hydrogen 3.080 N/A ALA 132.A N LEU 129.A O no hydrogen 2.600 N/A VAL 133.A N LEU 129.A O no hydrogen 3.020 N/A LYS 134.A N ILE 79.A O no hydrogen 3.062 N/A LYS 134.A NZ GLN 131.A O no hydrogen 2.745 N/A LYS 134.A NZ ALA 132.A O no hydrogen 3.018 N/A LEU 137.A N VAL 81.A O no hydrogen 2.930 N/A CYS 139.A N ASP 83.A O no hydrogen 2.853 N/A CYS 139.A SG THR 82.A OG1 no hydrogen 3.236 N/A ASP 140.A N PRO 146.A O no hydrogen 2.780 N/A THR 142.A N ASP 140.A OD1 no hydrogen 2.791 N/A THR 142.A OG1 ASP 140.A OD1 no hydrogen 2.457 N/A THR 142.A OG1 ASP 140.A OD2 no hydrogen 3.290 N/A GLN 143.A N ASP 140.A O no hydrogen 3.078 N/A GLY 148.A N GLN 145.A O no hydrogen 2.515 N/A VAL 150.A N LEU 147.A O no hydrogen 3.135 N/A ALA 155.A N LEU 184.A O no hydrogen 2.772 N/A ASP 156.A N LEU 56.A O no hydrogen 2.817 N/A CYS 157.A N LEU 56.A O no hydrogen 3.025 N/A CYS 157.A SG VAL 158.A O no hydrogen 3.463 N/A CYS 157.A SG PHE 190.A O no hydrogen 3.727 N/A VAL 158.A N PHE 190.A O no hydrogen 3.139 N/A LEU 159.A N ILE 58.A O no hydrogen 2.899 N/A SER 160.A N VAL 192.A O no hydrogen 2.930 N/A SER 160.A OG ILE 60.A O no hydrogen 2.388 N/A LEU 162.A N MET 194.A O no hydrogen 2.652 N/A CYS 163.A SG ILE 60.A O no hydrogen 4.037 N/A ASP 165.A N ASP 195.A OD2 no hydrogen 2.808 N/A ALA 166.A N CYS 163.A O no hydrogen 2.672 N/A ALA 167.A N CYS 163.A O no hydrogen 2.927 N/A CYS 168.A N LEU 164.A O no hydrogen 2.977 N/A CYS 168.A SG THR 173.A O no hydrogen 3.419 N/A THR 173.A N ASP 170.A OD1 no hydrogen 2.742 N/A THR 173.A OG1 ASP 170.A OD1 no hydrogen 2.926 N/A THR 173.A OG1 ASP 170.A OD2 no hydrogen 3.092 N/A TYR 174.A N ASP 170.A O no hydrogen 3.119 N/A CYS 175.A N LEU 171.A O no hydrogen 2.916 N/A CYS 175.A SG ALA 222.A O no hydrogen 3.470 N/A CYS 175.A SG GLU 225.A O no hydrogen 3.899 N/A ARG 176.A N PRO 172.A O no hydrogen 3.018 N/A ALA 177.A N THR 173.A O no hydrogen 3.054 N/A LEU 178.A N TYR 174.A O no hydrogen 2.850 N/A ARG 179.A N CYS 175.A O no hydrogen 2.962 N/A ASN 180.A N ARG 176.A O no hydrogen 2.577 N/A ASN 180.A ND2 VAL 141.A O no hydrogen 3.182 N/A LEU 181.A N ALA 177.A O no hydrogen 2.858 N/A GLY 182.A N LEU 178.A O no hydrogen 2.985 N/A SER 183.A N ASN 180.A O no hydrogen 3.110 N/A SER 183.A OG ASN 180.A O no hydrogen 2.920 N/A LEU 184.A N LEU 181.A O no hydrogen 3.134 N/A LEU 185.A N GLY 182.A O no hydrogen 3.395 N/A LYS 186.A N ALA 155.A O no hydrogen 3.095 N/A LYS 186.A NZ ASP 156.A OD1 no hydrogen 2.704 N/A GLY 188.A N LYS 257.A O no hydrogen 2.710 N/A PHE 190.A N ASP 156.A O no hydrogen 2.953 N/A LEU 191.A N ALA 255.A O no hydrogen 2.581 N/A VAL 192.A N VAL 158.A O no hydrogen 3.084 N/A ILE 193.A N LEU 253.A O no hydrogen 3.385 N/A MET 194.A N SER 160.A O no hydrogen 2.912 N/A ASP 195.A N PHE 251.A O no hydrogen 3.217 N/A ALA 196.A N ASP 195.A OD1 no hydrogen 2.966 N/A LEU 197.A N GLY 249.A O no hydrogen 2.943 N/A LYS 198.A N LEU 214.A O no hydrogen 2.716 N/A LYS 198.A NZ GLU 248.A OE1 no hydrogen 2.981 N/A LYS 198.A NZ GLU 248.A OE2 no hydrogen 3.123 N/A SER 200.A N ASN 246.A OD1 no hydrogen 2.709 N/A TYR 201.A OH SER 242.A O no hydrogen 3.174 N/A TYR 202.A N PHE 209.A O no hydrogen 3.106 N/A TYR 202.A OH TYR 9.A OH no hydrogen 2.970 N/A MET 203.A N MET 244.A O no hydrogen 2.865 N/A ILE 204.A N GLN 207.A O no hydrogen 2.875 N/A GLN 207.A N ILE 204.A O no hydrogen 2.976 N/A PHE 209.A N TYR 202.A O no hydrogen 2.935 N/A SER 210.A N THR 4.A OG1 no hydrogen 2.781 N/A LEU 212.A N ASP 165.A O no hydrogen 2.944 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.917 N/A VAL 219.A N GLY 215.A O no hydrogen 3.202 N/A GLU 220.A N ARG 216.A O no hydrogen 3.025 N/A ALA 221.A N GLU 217.A O no hydrogen 2.889 N/A ALA 222.A N ALA 218.A O no hydrogen 2.840 N/A VAL 223.A N GLU 220.A O no hydrogen 3.261 N/A LYS 224.A N GLU 220.A O no hydrogen 3.044 N/A GLU 225.A N ALA 221.A O no hydrogen 2.729 N/A ALA 226.A N VAL 223.A O no hydrogen 2.971 N/A GLY 227.A N LYS 224.A O no hydrogen 3.070 N/A TYR 228.A OH LEU 178.A O no hydrogen 2.696 N/A THR 229.A N ARG 256.A O no hydrogen 2.690 N/A THR 229.A OG1 ARG 256.A O no hydrogen 3.427 N/A GLU 231.A N VAL 254.A O no hydrogen 2.737 N/A TRP 232.A N VAL 254.A O no hydrogen 3.466 N/A GLU 234.A N SER 252.A O no hydrogen 2.954 N/A ILE 236.A N LEU 250.A O no hydrogen 3.059 N/A GLN 238.A NE2 SER 239.A O no hydrogen 2.499 N/A SER 239.A OG SER 237.A O no hydrogen 3.248 N/A SER 239.A OG ASN 247.A O no hydrogen 3.093 N/A TYR 240.A N ASN 247.A OD1 no hydrogen 2.997 N/A SER 241.A N GLU 32.A OE2 no hydrogen 2.836 N/A SER 241.A OG GLU 32.A OE1 no hydrogen 3.234 N/A SER 241.A OG GLU 32.A OE2 no hydrogen 3.359 N/A MET 244.A N SER 241.A O no hydrogen 2.652 N/A ALA 245.A N SER 241.A O no hydrogen 2.946 N/A ASN 247.A ND2 GLY 249.A O no hydrogen 3.083 N/A GLU 248.A N LEU 197.A O no hydrogen 2.939 N/A GLY 249.A N SER 239.A OG no hydrogen 2.832 N/A LEU 250.A N ILE 236.A O no hydrogen 3.092 N/A PHE 251.A N ASP 195.A O no hydrogen 3.148 N/A SER 252.A N GLU 234.A O no hydrogen 2.929 N/A LEU 253.A N ILE 193.A O no hydrogen 3.129 N/A VAL 254.A N TRP 232.A O no hydrogen 3.180 N/A ALA 255.A N LEU 191.A O no hydrogen 2.645 N/A ARG 256.A N THR 229.A O no hydrogen 2.616 N/A LYS 257.A N GLY 189.A O no hydrogen 2.866 N/A LYS 257.A NZ GLY 182.A O no hydrogen 2.410 N/A LYS 257.A NZ LEU 185.A O no hydrogen 2.801 N/A LEU 258.A N GLY 227.A O no hydrogen 3.063 N/A