Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bpx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 ALA 43.A O no hydrogen 2.434 N/A ASN 8.A N GLN 4.A O no hydrogen 3.335 N/A GLY 9.A N GLU 5.A O no hydrogen 3.250 N/A ILE 11.A N ASN 8.A O no hydrogen 3.172 N/A THR 12.A N ASN 8.A O no hydrogen 3.015 N/A ASP 13.A N GLY 9.A O no hydrogen 2.734 N/A MET 14.A N GLY 10.A O no hydrogen 3.131 N/A LEU 15.A N ILE 11.A O no hydrogen 2.979 N/A THR 16.A N THR 12.A O no hydrogen 2.946 N/A THR 16.A OG1 THR 12.A O no hydrogen 2.296 N/A GLU 17.A N ASP 13.A O no hydrogen 3.117 N/A LEU 18.A N MET 14.A O no hydrogen 2.954 N/A ALA 19.A N LEU 15.A O no hydrogen 2.618 N/A ASN 20.A N THR 16.A O no hydrogen 2.846 N/A PHE 21.A N GLU 17.A O no hydrogen 2.825 N/A GLU 22.A N LEU 18.A O no hydrogen 3.092 N/A GLU 22.A N ALA 19.A O no hydrogen 2.848 N/A LYS 23.A N ALA 19.A O no hydrogen 3.053 N/A ASN 24.A N ASN 20.A O no hydrogen 2.879 N/A SER 26.A N PHE 21.A O no hydrogen 2.581 N/A GLN 27.A N GLU 22.A O no hydrogen 2.345 N/A GLN 27.A N LYS 23.A O no hydrogen 2.790 N/A ALA 28.A N GLU 22.A O no hydrogen 3.082 N/A TYR 32.A N ALA 28.A O no hydrogen 3.175 N/A ASN 33.A N ILE 29.A O no hydrogen 2.569 N/A ALA 34.A N HIS 30.A O no hydrogen 2.725 N/A TYR 35.A N LYS 31.A O no hydrogen 2.853 N/A ARG 36.A N TYR 32.A O no hydrogen 2.787 N/A LYS 37.A N ASN 33.A O no hydrogen 2.819 N/A LYS 37.A NZ GLY 60.A O no hydrogen 2.584 N/A ALA 38.A N ALA 34.A O no hydrogen 2.999 N/A ALA 39.A N TYR 35.A O no hydrogen 2.881 N/A SER 40.A N ARG 36.A O no hydrogen 2.676 N/A SER 40.A OG ARG 36.A O no hydrogen 3.279 N/A SER 40.A OG LYS 37.A O no hydrogen 2.687 N/A VAL 41.A N LYS 37.A O no hydrogen 3.168 N/A ILE 42.A N ALA 38.A O no hydrogen 3.080 N/A ALA 43.A N ALA 39.A O no hydrogen 3.030 N/A LYS 44.A N SER 40.A O no hydrogen 2.845 N/A LYS 44.A NZ GLU 331.A OE2 no hydrogen 3.502 N/A TYR 45.A N ILE 42.A O no hydrogen 3.095 N/A TYR 45.A OH GLU 54.A OE2 no hydrogen 2.810 N/A HIS 47.A N TYR 45.A O no hydrogen 2.781 N/A GLY 52.A N ASP 70.A OD1 no hydrogen 2.838 N/A GLU 54.A N SER 51.A OG no hydrogen 3.263 N/A ALA 55.A N SER 51.A O no hydrogen 3.379 N/A LYS 56.A N GLY 52.A O no hydrogen 2.317 N/A LYS 57.A N ALA 53.A O no hydrogen 3.375 N/A LEU 58.A N ALA 55.A O no hydrogen 2.384 N/A VAL 61.A N LEU 58.A O no hydrogen 3.194 N/A ALA 66.A N GLY 62.A O no hydrogen 2.558 N/A GLU 67.A N THR 63.A O no hydrogen 2.838 N/A LYS 68.A N LYS 64.A O no hydrogen 2.894 N/A ILE 69.A N ILE 65.A O no hydrogen 2.988 N/A ASP 70.A N ALA 66.A O no hydrogen 3.207 N/A ASP 70.A N GLU 67.A O no hydrogen 2.969 N/A PHE 72.A N LYS 68.A O no hydrogen 2.871 N/A LEU 73.A N ILE 69.A O no hydrogen 3.005 N/A ALA 74.A N ASP 70.A O no hydrogen 2.742 N/A THR 75.A N GLU 71.A O no hydrogen 2.487 N/A THR 75.A OG1 GLU 71.A O no hydrogen 2.721 N/A THR 75.A OG1 LYS 77.A O no hydrogen 2.567 N/A GLY 76.A N PHE 72.A O no hydrogen 2.797 N/A LYS 77.A N THR 75.A OG1 no hydrogen 2.655 N/A ARG 79.A N GLU 71.A OE2 no hydrogen 3.340 N/A GLU 82.A N LEU 78.A O no hydrogen 3.345 N/A LYS 83.A N ARG 79.A O no hydrogen 3.336 N/A LYS 83.A N LYS 80.A O no hydrogen 3.113 N/A ILE 84.A N LYS 80.A O no hydrogen 3.111 N/A ILE 84.A N LEU 81.A O no hydrogen 2.922 N/A ARG 85.A N LEU 81.A O no hydrogen 2.715 N/A ARG 85.A NE GLU 17.A OE2 no hydrogen 2.498 N/A ARG 85.A NH2 GLU 17.A OE1 no hydrogen 2.965 N/A ARG 85.A NH2 GLU 17.A OE2 no hydrogen 2.696 N/A GLN 86.A N GLU 82.A O no hydrogen 3.033 N/A GLN 86.A NE2 LYS 83.A O no hydrogen 2.805 N/A ASP 87.A N ILE 84.A O no hydrogen 3.309 N/A THR 89.A OG1 ASP 87.A OD1 no hydrogen 3.452 N/A THR 89.A OG1 ASP 87.A OD2 no hydrogen 2.902 N/A SER 90.A N ASP 87.A OD2 no hydrogen 2.997 N/A SER 90.A OG ILE 84.A O no hydrogen 3.081 N/A SER 90.A OG ASP 87.A OD2 no hydrogen 2.425 N/A SER 91.A N ASP 87.A O no hydrogen 3.530 N/A SER 91.A OG ASP 87.A O no hydrogen 2.954 N/A SER 91.A OG ASP 88.A O no hydrogen 3.445 N/A SER 92.A N ASP 88.A O no hydrogen 3.340 N/A SER 92.A OG ASP 88.A O no hydrogen 3.419 N/A ILE 93.A N THR 89.A O no hydrogen 2.692 N/A ASN 94.A N SER 90.A O no hydrogen 2.595 N/A PHE 95.A N SER 91.A O no hydrogen 2.691 N/A LEU 96.A N SER 92.A O no hydrogen 2.994 N/A THR 97.A OG1 ASN 94.A O no hydrogen 2.689 N/A ARG 98.A N PHE 95.A O no hydrogen 2.683 N/A ARG 98.A NE GLU 143.A OE2 no hydrogen 2.653 N/A ARG 98.A NH2 GLU 143.A OE1 no hydrogen 2.600 N/A ARG 98.A NH2 GLU 143.A OE2 no hydrogen 2.514 N/A VAL 99.A N LEU 96.A O no hydrogen 2.749 N/A ILE 102.A N VAL 99.A O no hydrogen 2.867 N/A ALA 107.A N GLY 103.A O no hydrogen 2.998 N/A ARG 108.A N PRO 104.A O no hydrogen 2.941 N/A LYS 109.A N SER 105.A O no hydrogen 2.640 N/A PHE 110.A N ALA 106.A O no hydrogen 2.675 N/A VAL 111.A N ALA 107.A O no hydrogen 3.258 N/A ASP 112.A N ARG 108.A O no hydrogen 3.208 N/A ASP 112.A N LYS 109.A O no hydrogen 2.773 N/A GLU 113.A N LYS 109.A O no hydrogen 2.813 N/A GLY 114.A N VAL 111.A O no hydrogen 3.339 N/A LYS 116.A N ASP 120.A OD2 no hydrogen 2.599 N/A THR 117.A OG1 ASP 120.A OD1 no hydrogen 2.623 N/A ASP 120.A N THR 117.A OG1 no hydrogen 3.116 N/A LEU 121.A N THR 117.A O no hydrogen 2.954 N/A ARG 122.A N LEU 118.A O no hydrogen 2.607 N/A LYS 123.A N GLU 119.A O no hydrogen 2.286 N/A ASN 124.A N LEU 121.A O no hydrogen 2.453 N/A ASN 124.A ND2 ASP 120.A O no hydrogen 2.279 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.890 N/A LYS 127.A N ASN 124.A O no hydrogen 2.453 N/A LYS 127.A NZ ASN 124.A OD1 no hydrogen 2.506 N/A LYS 127.A NZ ASP 126.A OD1 no hydrogen 2.991 N/A HIS 131.A ND1 SER 100.A O no hydrogen 2.723 N/A ARG 133.A N ASN 129.A O no hydrogen 2.551 N/A ILE 134.A N HIS 130.A O no hydrogen 2.776 N/A GLY 135.A N HIS 131.A O no hydrogen 2.891 N/A LEU 136.A N GLN 132.A O no hydrogen 2.939 N/A LYS 137.A N ARG 133.A O no hydrogen 2.860 N/A LYS 137.A NZ TYR 138.A OH no hydrogen 3.162 N/A LYS 137.A NZ ASP 222.A OD2 no hydrogen 2.964 N/A TYR 138.A N ILE 134.A O no hydrogen 2.587 N/A TYR 138.A OH ASP 222.A OD1 no hydrogen 2.259 N/A PHE 139.A N LEU 136.A O no hydrogen 3.226 N/A PHE 142.A N TYR 138.A O no hydrogen 3.059 N/A LYS 144.A N ASP 141.A O no hydrogen 2.967 N/A ILE 146.A N SER 184.A O no hydrogen 2.514 N/A ARG 148.A N GLU 182.A O no hydrogen 3.419 N/A ARG 148.A NE ALA 181.A O no hydrogen 2.642 N/A ARG 148.A NH2 PHE 177.A O no hydrogen 2.290 N/A ARG 148.A NH2 ALA 181.A O no hydrogen 3.535 N/A MET 151.A N PRO 147.A O no hydrogen 2.297 N/A LEU 152.A N ARG 148.A O no hydrogen 2.260 N/A GLN 153.A N GLU 149.A O no hydrogen 2.898 N/A MET 154.A N GLU 150.A O no hydrogen 2.285 N/A GLN 155.A N MET 151.A O no hydrogen 2.429 N/A ASP 156.A N LEU 152.A O no hydrogen 2.569 N/A ILE 157.A N GLN 153.A O no hydrogen 3.171 N/A VAL 158.A N MET 154.A O no hydrogen 3.228 N/A LEU 159.A N GLN 155.A O no hydrogen 3.134 N/A ASN 160.A N ASP 156.A O no hydrogen 3.027 N/A ASN 160.A ND2 ASP 156.A O no hydrogen 2.686 N/A GLU 161.A N ILE 157.A O no hydrogen 3.298 N/A LYS 164.A N ASN 160.A O no hydrogen 2.678 N/A LYS 164.A NZ GLU 161.A OE1 no hydrogen 3.067 N/A LYS 164.A NZ GLU 161.A OE2 no hydrogen 3.308 N/A VAL 165.A N GLU 161.A O no hydrogen 2.448 N/A ASP 166.A N VAL 162.A O no hydrogen 2.900 N/A SER 167.A N ASP 166.A OD1 no hydrogen 2.594 N/A GLU 168.A N ASP 166.A OD1 no hydrogen 2.940 N/A ILE 170.A N THR 192.A O no hydrogen 2.644 N/A CYS 174.A N ASP 188.A O no hydrogen 3.144 N/A CYS 174.A SG THR 172.A O no hydrogen 3.570 N/A CYS 174.A SG THR 172.A OG1 no hydrogen 3.717 N/A ARG 178.A N GLY 175.A O no hydrogen 2.604 N/A ARG 178.A NE THR 269.A OG1 no hydrogen 3.144 N/A ARG 178.A NH1 GLU 312.A OE2 no hydrogen 2.931 N/A ARG 178.A NH2 THR 269.A OG1 no hydrogen 2.747 N/A ARG 178.A NH2 GLU 312.A OE1 no hydrogen 2.902 N/A ARG 178.A NH2 GLU 312.A OE2 no hydrogen 3.114 N/A ARG 179.A N GLY 175.A O no hydrogen 3.104 N/A ARG 179.A NH1 THR 269.A O no hydrogen 3.478 N/A GLY 180.A N PHE 177.A O no hydrogen 3.399 N/A ALA 181.A N SER 176.A O no hydrogen 3.110 N/A SER 183.A OG GLU 182.A OE1 no hydrogen 3.194 N/A SER 184.A N ILE 146.A O no hydrogen 2.971 N/A MET 187.A N ARG 250.A O no hydrogen 2.988 N/A VAL 189.A N ASP 252.A O no hydrogen 2.849 N/A LEU 190.A N THR 172.A O no hydrogen 3.112 N/A LEU 191.A N ARG 254.A O no hydrogen 2.620 N/A THR 192.A N ILE 170.A O no hydrogen 2.878 N/A THR 192.A OG1 HIS 193.A O no hydrogen 2.964 N/A HIS 193.A ND1 SER 195.A OG no hydrogen 2.474 N/A SER 195.A N HIS 193.A ND1 no hydrogen 2.608 N/A SER 195.A OG HIS 193.A ND1 no hydrogen 2.474 N/A PHE 196.A N HIS 193.A O no hydrogen 3.060 N/A THR 197.A N SER 200.A OG no hydrogen 2.948 N/A THR 197.A OG1 ASP 259.A OD1 no hydrogen 2.661 N/A SER 198.A N ASP 259.A OD1 no hydrogen 2.604 N/A SER 198.A OG ASP 259.A OD1 no hydrogen 2.748 N/A SER 198.A OG ASP 259.A OD2 no hydrogen 2.253 N/A SER 200.A N THR 197.A O no hydrogen 2.894 N/A SER 200.A OG THR 197.A O no hydrogen 2.676 N/A LYS 202.A NZ GLU 228.A OE1 no hydrogen 2.853 N/A LEU 206.A N GLN 203.A O no hydrogen 2.816 N/A HIS 208.A N PRO 204.A O no hydrogen 2.559 N/A GLN 209.A N LYS 205.A O no hydrogen 2.355 N/A VAL 210.A N LEU 206.A O no hydrogen 3.274 N/A VAL 211.A N LEU 207.A O no hydrogen 2.958 N/A GLU 212.A N HIS 208.A O no hydrogen 2.912 N/A GLN 213.A N GLN 209.A O no hydrogen 3.078 N/A LEU 214.A N VAL 210.A O no hydrogen 3.271 N/A GLN 215.A N VAL 211.A O no hydrogen 2.759 N/A LYS 216.A N GLU 212.A O no hydrogen 2.315 N/A VAL 217.A N GLN 213.A O no hydrogen 2.824 N/A HIS 218.A N GLN 215.A O no hydrogen 2.880 N/A PHE 219.A N LEU 214.A O no hydrogen 2.933 N/A ILE 220.A N LEU 214.A O no hydrogen 3.065 N/A THR 221.A OG1 TYR 138.A OH no hydrogen 2.946 N/A THR 221.A OG1 ASP 222.A OD1 no hydrogen 2.315 N/A ASP 222.A N THR 221.A OG1 no hydrogen 2.517 N/A SER 225.A N MET 232.A O no hydrogen 3.036 N/A GLY 227.A N LYS 230.A O no hydrogen 3.258 N/A PHE 231.A N ILE 253.A O no hydrogen 2.783 N/A MET 232.A N SER 225.A O no hydrogen 2.887 N/A GLY 233.A N ILE 251.A O no hydrogen 2.735 N/A VAL 234.A N ASP 222.A O no hydrogen 3.198 N/A CYS 235.A N ARG 249.A O no hydrogen 2.846 N/A CYS 235.A SG ARG 249.A O no hydrogen 3.490 N/A GLN 236.A N PHE 219.A O no hydrogen 2.529 N/A SER 239.A OG LYS 240.A O no hydrogen 3.548 N/A GLU 243.A N LYS 240.A O no hydrogen 2.609 N/A HIS 248.A N ASP 141.A OD2 no hydrogen 2.293 N/A HIS 248.A ND1 ASP 141.A OD2 no hydrogen 3.057 N/A ARG 249.A N CYS 235.A O no hydrogen 2.522 N/A ARG 249.A NH1 GLU 150.A OE1 no hydrogen 2.256 N/A ARG 250.A NH1 ASP 252.A OD1 no hydrogen 2.505 N/A ARG 250.A NH2 ASP 252.A OD1 no hydrogen 2.871 N/A ARG 250.A NH2 ASP 252.A OD2 no hydrogen 2.725 N/A ILE 251.A N GLY 233.A O no hydrogen 2.917 N/A ASP 252.A N MET 187.A O no hydrogen 3.015 N/A ILE 253.A N PHE 231.A O no hydrogen 2.741 N/A ARG 254.A N VAL 189.A O no hydrogen 2.496 N/A ARG 254.A NH1 ASP 188.A OD1 no hydrogen 2.465 N/A ARG 254.A NH1 ASP 188.A OD2 no hydrogen 2.762 N/A ARG 254.A NH2 ASP 188.A OD1 no hydrogen 2.412 N/A ARG 254.A NH2 ASP 188.A OD2 no hydrogen 2.883 N/A LEU 255.A N THR 229.A O no hydrogen 3.198 N/A ILE 256.A N LEU 191.A O no hydrogen 2.627 N/A LYS 258.A N PHE 196.A O no hydrogen 2.737 N/A ASP 259.A N THR 197.A OG1 no hydrogen 2.949 N/A GLN 260.A N PRO 257.A O no hydrogen 2.805 N/A GLN 260.A NE2 SER 198.A OG no hydrogen 2.794 N/A GLN 260.A NE2 ASP 259.A OD2 no hydrogen 3.314 N/A TYR 261.A OH LEU 190.A O no hydrogen 2.294 N/A CYS 263.A SG TYR 292.A O no hydrogen 2.791 N/A GLY 264.A N GLN 260.A O no hydrogen 2.778 N/A VAL 265.A N TYR 261.A O no hydrogen 2.293 N/A LEU 266.A N TYR 262.A O no hydrogen 2.325 N/A TYR 267.A N CYS 263.A O no hydrogen 2.331 N/A PHE 268.A N GLY 264.A O no hydrogen 2.581 N/A THR 269.A N VAL 265.A O no hydrogen 2.660 N/A THR 269.A N LEU 266.A O no hydrogen 3.234 N/A THR 269.A OG1 VAL 265.A O no hydrogen 2.259 N/A SER 271.A N ARG 329.A O no hydrogen 2.950 N/A SER 271.A OG ARG 329.A O no hydrogen 2.801 N/A PHE 274.A N SER 271.A OG no hydrogen 2.910 N/A ASN 275.A N SER 271.A O no hydrogen 3.079 N/A LYS 276.A N ASP 272.A O no hydrogen 3.094 N/A ASN 277.A N ILE 273.A O no hydrogen 3.101 N/A MET 278.A N PHE 274.A O no hydrogen 2.906 N/A ARG 279.A N ASN 275.A O no hydrogen 2.685 N/A ALA 280.A N LYS 276.A O no hydrogen 2.946 N/A HIS 281.A N ASN 277.A O no hydrogen 2.954 N/A HIS 281.A NE2 ILE 319.A O no hydrogen 2.293 N/A ALA 282.A N MET 278.A O no hydrogen 2.868 N/A LEU 283.A N ARG 279.A O no hydrogen 3.179 N/A GLU 284.A N ALA 280.A O no hydrogen 2.849 N/A LYS 285.A N HIS 281.A O no hydrogen 2.951 N/A GLY 286.A N LEU 283.A O no hydrogen 2.675 N/A PHE 287.A N ALA 282.A O no hydrogen 2.827 N/A THR 288.A N ARG 295.A O no hydrogen 2.808 N/A ARG 295.A N THR 288.A O no hydrogen 2.818 N/A LEU 297.A N GLY 286.A O no hydrogen 2.548 N/A THR 300.A OG1 VAL 302.A O no hydrogen 3.461 N/A LEU 307.A N ILE 294.A O no hydrogen 2.883 N/A ASP 310.A N ASP 314.A OD2 no hydrogen 3.340 N/A LYS 313.A N SER 311.A OG no hydrogen 2.412 N/A PHE 316.A N GLU 312.A O no hydrogen 3.062 N/A ASP 317.A N LYS 313.A O no hydrogen 2.412 N/A TYR 318.A N ASP 314.A O no hydrogen 2.887 N/A TYR 318.A OH PRO 308.A O no hydrogen 2.298 N/A GLN 320.A N ASP 317.A O no hydrogen 2.995 N/A LYS 322.A NZ TYR 323.A O no hydrogen 3.311 N/A ARG 324.A NH1 GLU 331.A OXT no hydrogen 3.123 N/A ARG 324.A NH2 GLU 331.A OXT no hydrogen 2.696 N/A ASP 328.A N GLU 325.A O no hydrogen 2.834 N/A ARG 329.A N PRO 326.A O no hydrogen 3.206 N/A ARG 329.A NE ARG 324.A O no hydrogen 3.116 N/A ARG 329.A NH1 GLU 312.A OE1 no hydrogen 3.101 N/A ARG 329.A NH2 ARG 324.A O no hydrogen 2.323 N/A