Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kjo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A OH HIS 77.A NE2 no hydrogen 2.772 N/A THR 7.A N ASN 19.A O no hydrogen 2.996 N/A LEU 9.A N ASP 46.A OD2 no hydrogen 3.183 N/A GLN 11.A N PRO 8.A O no hydrogen 2.997 N/A GLY 15.A N ILE 81.A O no hydrogen 2.800 N/A THR 16.A OG1 LYS 13.A O no hydrogen 2.626 N/A VAL 18.A N LEU 79.A O no hydrogen 2.709 N/A VAL 20.A N PHE 76.A O no hydrogen 2.851 N/A TYR 21.A OH ASP 124.A OD1 no hydrogen 2.599 N/A GLY 22.A N VAL 74.A O no hydrogen 3.067 N/A VAL 23.A N VAL 45.A O no hydrogen 2.803 N/A VAL 24.A N ASP 72.A O no hydrogen 2.802 N/A LYS 25.A N THR 43.A O no hydrogen 2.867 N/A PHE 26.A N THR 43.A O no hydrogen 3.433 N/A LYS 28.A N VAL 41.A O no hydrogen 2.791 N/A LYS 28.A NZ THR 261.A OG1 no hydrogen 3.070 N/A TYR 31.A N CYS 39.A O no hydrogen 2.804 N/A SER 33.A OG ASP 37.A O no hydrogen 2.935 N/A GLY 35.A N SER 33.A OG no hydrogen 3.110 N/A TYR 38.A N SER 58.A O no hydrogen 2.696 N/A CYS 39.A N TYR 31.A O no hydrogen 2.652 N/A CYS 39.A SG TYR 31.A OH no hydrogen 3.611 N/A CYS 39.A SG LEU 56.A O no hydrogen 4.019 N/A SER 40.A N LEU 56.A O no hydrogen 2.964 N/A SER 40.A OG LYS 28.A O no hydrogen 2.820 N/A VAL 42.A N CYS 54.A O no hydrogen 2.944 N/A THR 43.A N PHE 26.A O no hydrogen 2.854 N/A THR 43.A OG1 THR 53.A OG1 no hydrogen 2.965 N/A ILE 44.A N LEU 52.A O no hydrogen 2.898 N/A VAL 45.A N VAL 23.A O no hydrogen 3.017 N/A GLN 47.A N GLN 47.A OE1 no hydrogen 2.615 N/A THR 48.A N ASP 46.A OD1 no hydrogen 3.126 N/A THR 48.A OG1 ASP 46.A OD1 no hydrogen 2.661 N/A ASN 49.A N ASP 46.A O no hydrogen 2.826 N/A VAL 50.A N THR 48.A OG1 no hydrogen 3.166 N/A LYS 51.A NZ ASN 49.A O no hydrogen 2.908 N/A LEU 52.A N ILE 44.A O no hydrogen 2.834 N/A THR 53.A OG1 THR 43.A OG1 no hydrogen 2.965 N/A CYS 54.A N VAL 42.A O no hydrogen 2.720 N/A CYS 54.A SG LEU 52.A O no hydrogen 3.995 N/A LEU 55.A N GLY 90.A O no hydrogen 2.666 N/A LEU 56.A N SER 40.A O no hydrogen 2.908 N/A PHE 57.A N THR 92.A OG1 no hydrogen 2.994 N/A SER 58.A N TYR 38.A O no hydrogen 3.149 N/A SER 58.A OG ASN 60.A O no hydrogen 3.107 N/A ASN 60.A N SER 58.A OG no hydrogen 3.056 N/A ASN 60.A ND2 GLU 62.A OE2 no hydrogen 3.529 N/A ALA 63.A N ASN 60.A O no hydrogen 3.060 N/A LEU 64.A N TYR 61.A O no hydrogen 3.362 N/A TYR 68.A N ASP 72.A OD2 no hydrogen 2.830 N/A LYS 69.A N ASP 72.A OD2 no hydrogen 3.279 N/A LYS 69.A NZ ASP 276.A OD2 no hydrogen 2.718 N/A GLY 71.A N VAL 24.A O no hydrogen 2.798 N/A ASP 72.A N LYS 69.A O no hydrogen 3.197 N/A ILE 73.A N PHE 101.A O no hydrogen 2.906 N/A VAL 74.A N GLY 22.A O no hydrogen 2.898 N/A ARG 75.A N LEU 99.A O no hydrogen 2.874 N/A ARG 75.A NE ASP 124.A OD1 no hydrogen 3.209 N/A ARG 75.A NH1 ASN 119.A O no hydrogen 2.936 N/A ARG 75.A NH2 ASN 119.A O no hydrogen 2.496 N/A ARG 75.A NH2 ASP 124.A OD1 no hydrogen 3.013 N/A ARG 75.A NH2 ASP 124.A OD2 no hydrogen 2.732 N/A PHE 76.A N VAL 20.A O no hydrogen 2.718 N/A HIS 77.A N ALA 97.A O no hydrogen 2.795 N/A HIS 77.A NE2 TYR 6.A OH no hydrogen 2.772 N/A ARG 78.A NH1 GLY 95.A O no hydrogen 3.168 N/A LEU 79.A N VAL 18.A O no hydrogen 2.895 N/A LYS 80.A N ILE 91.A O no hydrogen 2.875 N/A ILE 81.A N THR 16.A O no hydrogen 2.683 N/A GLN 82.A N GLN 89.A O no hydrogen 3.033 N/A TYR 84.A N GLU 87.A O no hydrogen 2.646 N/A GLU 87.A N TYR 84.A O no hydrogen 3.081 N/A GLN 89.A N GLN 82.A O no hydrogen 2.765 N/A GLY 90.A N THR 53.A O no hydrogen 2.803 N/A ILE 91.A N LYS 80.A O no hydrogen 2.862 N/A THR 92.A N LEU 55.A O no hydrogen 3.167 N/A THR 92.A OG1 PHE 57.A O no hydrogen 3.564 N/A PHE 96.A N SER 93.A O no hydrogen 3.044 N/A ALA 97.A N HIS 77.A O no hydrogen 3.112 N/A LEU 99.A N ARG 75.A O no hydrogen 3.004 N/A THR 100.A N ARG 112.A O no hydrogen 2.991 N/A THR 100.A OG1 ILE 66.A O no hydrogen 3.505 N/A PHE 101.A N ILE 73.A O no hydrogen 2.806 N/A ALA 107.A N THR 104.A O no hydrogen 3.083 N/A ARG 112.A N THR 100.A O no hydrogen 2.830 N/A ARG 112.A NE ILE 66.A O no hydrogen 3.315 N/A ARG 112.A NH2 ILE 66.A O no hydrogen 3.181 N/A THR 113.A OG1 SER 98.A O no hydrogen 2.900 N/A THR 113.A OG1 SER 115.A OG no hydrogen 3.430 N/A SER 114.A OG GLU 62.A O no hydrogen 2.868 N/A SER 115.A N THR 113.A OG1 no hydrogen 3.104 N/A SER 115.A OG THR 113.A OG1 no hydrogen 3.430 N/A THR 121.A N ASP 124.A OD2 no hydrogen 2.750 N/A THR 121.A OG1 GLU 123.A OE1 no hydrogen 3.272 N/A THR 121.A OG1 ASP 124.A OD2 no hydrogen 3.341 N/A GLU 123.A N THR 121.A OG1 no hydrogen 3.174 N/A ASP 124.A N THR 121.A O no hydrogen 3.023 N/A HIS 125.A N THR 121.A O no hydrogen 3.391 N/A HIS 125.A ND1 THR 121.A O no hydrogen 3.122 N/A LYS 126.A N THR 122.A O no hydrogen 3.069 N/A MET 127.A N GLU 123.A O no hydrogen 3.016 N/A VAL 128.A N ASP 124.A O no hydrogen 2.815 N/A GLU 129.A N HIS 125.A O no hydrogen 2.868 N/A ALA 130.A N LYS 126.A O no hydrogen 2.916 N/A LEU 131.A N MET 127.A O no hydrogen 3.058 N/A ARG 132.A N VAL 128.A O no hydrogen 2.916 N/A ARG 132.A NE GLU 102.A O no hydrogen 3.004 N/A ARG 132.A NH1 ALA 107.A O no hydrogen 2.665 N/A ARG 132.A NH2 GLU 102.A O no hydrogen 2.879 N/A ARG 132.A NH2 ALA 107.A O no hydrogen 3.428 N/A ARG 132.A NH2 PRO 108.A O no hydrogen 2.978 N/A VAL 133.A N GLU 129.A O no hydrogen 2.963 N/A TRP 134.A N ALA 130.A O no hydrogen 3.209 N/A ALA 135.A N LEU 131.A O no hydrogen 2.889 N/A SER 136.A N ARG 132.A O no hydrogen 2.968 N/A SER 136.A OG VAL 133.A O no hydrogen 2.568 N/A THR 137.A N TRP 134.A O no hydrogen 3.334 N/A HIS 138.A N TRP 134.A O no hydrogen 3.173 N/A HIS 138.A ND1 TRP 134.A O no hydrogen 2.911 N/A LYS 146.A NZ ASP 179.A O no hydrogen 2.972 N/A LYS 146.A NZ ASP 283.A OD2 no hydrogen 2.833 N/A LEU 147.A N ASP 179.A OD2 no hydrogen 2.806 N/A CYS 148.A N THR 181.A OG1 no hydrogen 3.067 N/A CYS 148.A SG ASP 149.A OD2 no hydrogen 3.736 N/A ASP 149.A N LYS 146.A O no hydrogen 3.016 N/A VAL 150.A N LEU 147.A O no hydrogen 3.304 N/A GLN 154.A N THR 238.A OG1 no hydrogen 3.033 N/A PHE 156.A N LEU 236.A O no hydrogen 2.945 N/A LEU 158.A N ILE 233.A O no hydrogen 2.901 N/A CYS 160.A N LEU 231.A O no hydrogen 2.946 N/A GLN 161.A N TRP 178.A O no hydrogen 2.990 N/A GLN 161.A NE2 GLY 228.A O no hydrogen 3.139 N/A LEU 162.A N SER 229.A O no hydrogen 2.909 N/A LEU 163.A N LYS 176.A O no hydrogen 2.826 N/A GLY 164.A N LYS 176.A O no hydrogen 3.114 N/A LYS 165.A N GLU 196.A O no hydrogen 3.100 N/A LYS 165.A NZ GLU 196.A OE2 no hydrogen 3.419 N/A LYS 165.A NZ ARG 223.A O no hydrogen 2.816 N/A LYS 165.A NZ LEU 225.A O no hydrogen 2.721 N/A ALA 166.A N LEU 174.A O no hydrogen 2.996 N/A ALA 171.A N ASP 169.A O no hydrogen 2.743 N/A SER 172.A N ASP 169.A OD1 no hydrogen 3.021 N/A SER 172.A OG ASP 169.A OD1 no hydrogen 2.723 N/A PHE 173.A N VAL 214.A O no hydrogen 2.898 N/A LEU 174.A N ALA 166.A O no hydrogen 2.862 N/A LEU 175.A N ILE 212.A O no hydrogen 2.857 N/A LYS 176.A N GLY 164.A O no hydrogen 2.900 N/A LYS 176.A NZ ASP 211.A OD1 no hydrogen 2.716 N/A VAL 177.A N ILE 210.A O no hydrogen 3.187 N/A TRP 178.A N GLN 161.A O no hydrogen 3.184 N/A TRP 178.A NE1 GLN 161.A OE1 no hydrogen 2.909 N/A THR 181.A N ASP 179.A OD1 no hydrogen 2.832 N/A THR 181.A OG1 ASP 179.A OD1 no hydrogen 2.754 N/A THR 181.A OG1 ASP 179.A OD2 no hydrogen 3.532 N/A THR 183.A OG1 PHE 185.A O no hydrogen 2.630 N/A SER 187.A OG TRP 188.A O no hydrogen 2.773 N/A TRP 188.A N LEU 253.A O no hydrogen 2.883 N/A TRP 188.A NE1 ASP 211.A O no hydrogen 2.814 N/A ARG 189.A NH1 THR 209.A O no hydrogen 3.551 N/A ARG 189.A NH1 THR 209.A OG1 no hydrogen 3.174 N/A ARG 189.A NH1 ASP 211.A OD1 no hydrogen 2.842 N/A ARG 189.A NH2 THR 209.A O no hydrogen 2.915 N/A VAL 190.A N ASP 211.A OD2 no hydrogen 2.949 N/A GLU 196.A N LYS 165.A O no hydrogen 2.838 N/A SER 200.A OG ASP 198.A OD1 no hydrogen 2.654 N/A HIS 201.A N ASP 198.A OD1 no hydrogen 3.089 N/A HIS 201.A NE2 ASN 288.A OD1 no hydrogen 3.291 N/A ILE 202.A N ASP 198.A O no hydrogen 2.928 N/A HIS 203.A N LEU 199.A O no hydrogen 2.883 N/A ARG 204.A N SER 200.A O no hydrogen 2.917 N/A LEU 205.A N HIS 201.A O no hydrogen 2.983 N/A LEU 205.A N ILE 202.A O no hydrogen 3.160 N/A GLN 206.A N HIS 203.A O no hydrogen 3.369 N/A LEU 208.A N LEU 205.A O no hydrogen 2.959 N/A THR 209.A N GLN 206.A O no hydrogen 3.250 N/A THR 209.A OG1 GLN 206.A O no hydrogen 3.452 N/A ILE 210.A N VAL 177.A O no hydrogen 2.952 N/A ASP 211.A N SER 187.A OG no hydrogen 3.013 N/A ILE 212.A N LEU 175.A O no hydrogen 2.792 N/A LEU 213.A N PHE 255.A O no hydrogen 3.101 N/A VAL 214.A N PHE 173.A O no hydrogen 2.906 N/A TYR 215.A N LEU 257.A O no hydrogen 3.184 N/A TYR 215.A OH HIS 256.A ND1 no hydrogen 2.738 N/A ASP 216.A N ALA 171.A O no hydrogen 3.043 N/A ASN 217.A ND2 GLY 260.A O no hydrogen 3.493 N/A HIS 218.A N TYR 215.A O no hydrogen 3.021 N/A HIS 218.A NE2 HIS 258.A O no hydrogen 2.791 N/A VAL 219.A N ASP 216.A O no hydrogen 3.101 N/A ALA 222.A N HIS 218.A O no hydrogen 2.966 N/A ARG 223.A N VAL 219.A O no hydrogen 2.810 N/A ARG 223.A NE GLU 167.A OE2 no hydrogen 2.815 N/A ARG 223.A NH2 GLU 167.A OE1 no hydrogen 3.359 N/A ARG 223.A NH2 GLU 167.A OE2 no hydrogen 3.437 N/A SER 224.A N HIS 220.A O no hydrogen 3.258 N/A SER 224.A N VAL 221.A O no hydrogen 3.028 N/A SER 224.A OG VAL 221.A O no hydrogen 2.749 N/A LEU 225.A N ALA 222.A O no hydrogen 3.234 N/A GLY 228.A N LEU 162.A O no hydrogen 2.704 N/A SER 229.A N LYS 226.A O no hydrogen 3.047 N/A SER 229.A OG LYS 226.A O no hydrogen 2.634 N/A LEU 231.A N CYS 160.A O no hydrogen 2.871 N/A ARG 232.A N ARG 268.A O no hydrogen 2.949 N/A ARG 232.A NE THR 159.A OG1 no hydrogen 3.069 N/A ARG 232.A NH1 TYR 68.A O no hydrogen 2.997 N/A ARG 232.A NH2 THR 159.A OG1 no hydrogen 2.999 N/A ARG 232.A NH2 ASP 276.A OD2 no hydrogen 2.833 N/A ILE 233.A N LEU 158.A O no hydrogen 2.836 N/A TYR 234.A N GLY 266.A O no hydrogen 2.930 N/A TYR 234.A OH TYR 68.A O no hydrogen 2.623 N/A SER 235.A N ASP 157.A OD1 no hydrogen 2.942 N/A LEU 236.A N PHE 156.A O no hydrogen 2.806 N/A HIS 237.A N HIS 256.A O no hydrogen 2.865 N/A THR 238.A N GLN 154.A O no hydrogen 2.939 N/A THR 238.A OG1 GLN 151.A O no hydrogen 2.837 N/A THR 238.A OG1 GLN 154.A O no hydrogen 3.371 N/A LYS 239.A N GLU 254.A O no hydrogen 2.945 N/A GLN 241.A N SER 252.A O no hydrogen 2.768 N/A ASN 244.A N GLN 248.A O no hydrogen 2.905 N/A ASN 244.A ND2 GLN 248.A OE1 no hydrogen 3.028 N/A GLU 246.A N ASN 244.A OD1 no hydrogen 2.834 N/A ASN 247.A N ASN 244.A O no hydrogen 2.968 N/A GLN 248.A N ASN 244.A OD1 no hydrogen 2.879 N/A MET 250.A N SER 242.A O no hydrogen 3.042 N/A SER 252.A N GLN 241.A O no hydrogen 3.123 N/A LEU 253.A N PRO 186.A O no hydrogen 2.951 N/A GLU 254.A N LYS 239.A O no hydrogen 2.801 N/A HIS 256.A N HIS 237.A O no hydrogen 2.830 N/A HIS 256.A ND1 TYR 215.A OH no hydrogen 2.738 N/A HIS 256.A NE2 GLU 254.A OE1 no hydrogen 2.779 N/A LEU 257.A N LEU 213.A O no hydrogen 2.920 N/A GLY 260.A N ASN 217.A OD1 no hydrogen 2.948 N/A GLY 264.A N THR 261.A O no hydrogen 3.084 N/A ARG 265.A N SER 262.A O no hydrogen 3.169 N/A ARG 265.A NE HIS 258.A O no hydrogen 2.973 N/A ARG 265.A NH2 GLY 259.A O no hydrogen 2.709 N/A GLY 266.A N TYR 234.A O no hydrogen 3.423 N/A ARG 268.A N ARG 232.A O no hydrogen 3.053 N/A LEU 270.A N PHE 230.A O no hydrogen 2.774 N/A ASN 274.A N PRO 271.A O no hydrogen 3.030 N/A ASP 276.A N ASN 274.A OD1 no hydrogen 2.665 N/A VAL 277.A N ASN 274.A O no hydrogen 3.068 N/A ASP 278.A N ASN 274.A O no hydrogen 3.431 N/A GLN 279.A N SER 275.A O no hydrogen 3.350 N/A LEU 280.A N ASP 276.A O no hydrogen 3.063 N/A LYS 281.A N VAL 277.A O no hydrogen 2.869 N/A LYS 281.A NZ GLU 272.A OE1 no hydrogen 2.834 N/A ASP 283.A N GLN 279.A O no hydrogen 3.296 N/A LEU 284.A N LEU 280.A O no hydrogen 2.957 N/A GLU 285.A N LYS 281.A O no hydrogen 2.951 N/A SER 286.A N LYS 282.A O no hydrogen 3.078 N/A ALA 287.A N ASP 283.A O no hydrogen 2.956 N/A ASN 288.A N LEU 284.A O no hydrogen 2.770 N/A ASN 288.A ND2 HIS 201.A NE2 no hydrogen 3.438 N/A LEU 289.A N GLU 285.A O no hydrogen 3.124 N/A THR 290.A N ALA 287.A O no hydrogen 2.965 N/A