Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a1j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLN 61.A O no hydrogen 2.792 N/A LYS 1.A NZ GLN 59.A OE1 no hydrogen 2.893 N/A CYS 2.A N ILE 96.A O no hydrogen 2.797 N/A LEU 3.A N GLN 59.A O no hydrogen 2.844 N/A VAL 4.A N CYS 94.A O no hydrogen 2.671 N/A ASN 8.A ND2 PHE 56.A O no hydrogen 2.548 N/A VAL 9.A N GLY 6.A O no hydrogen 3.393 N/A LYS 10.A NZ GLU 88.A OE2 no hydrogen 3.096 N/A VAL 11.A N GLY 7.A O no hydrogen 3.054 N/A LEU 12.A N ASN 8.A O no hydrogen 3.078 N/A GLY 13.A N VAL 9.A O no hydrogen 3.097 N/A LYS 14.A N LYS 10.A O no hydrogen 3.126 N/A ALA 15.A N VAL 11.A O no hydrogen 3.045 N/A VAL 16.A N LEU 12.A O no hydrogen 3.213 N/A HIS 17.A N GLY 13.A O no hydrogen 3.050 N/A HIS 17.A NE2 PHE 82.A O no hydrogen 2.967 N/A SER 18.A N LYS 14.A O no hydrogen 2.832 N/A SER 18.A OG GLY 217.A O no hydrogen 2.427 N/A LEU 19.A N ALA 15.A O no hydrogen 2.855 N/A SER 20.A N VAL 16.A O no hydrogen 2.726 N/A SER 20.A OG VAL 16.A O no hydrogen 3.414 N/A SER 20.A OG HIS 17.A O no hydrogen 2.456 N/A ILE 22.A N LEU 19.A O no hydrogen 2.931 N/A GLY 23.A N LEU 19.A O no hydrogen 3.404 N/A LEU 26.A N ILE 74.A O no hydrogen 2.692 N/A TYR 27.A N ARG 38.A O no hydrogen 2.680 N/A LEU 28.A N CYS 72.A O no hydrogen 2.768 N/A GLU 29.A N SER 36.A O no hydrogen 2.968 N/A LEU 31.A N GLY 34.A O no hydrogen 2.729 N/A ASP 33.A N ASP 33.A OD2 no hydrogen 2.471 N/A GLY 34.A N LEU 31.A O no hydrogen 3.177 N/A LEU 35.A N PHE 52.A O no hydrogen 3.020 N/A SER 36.A N GLU 29.A O no hydrogen 3.083 N/A LEU 37.A N PHE 50.A O no hydrogen 2.893 N/A ARG 38.A N TYR 27.A O no hydrogen 2.837 N/A ARG 38.A NE SER 36.A OG no hydrogen 2.812 N/A ARG 38.A NH1 LEU 129.A O no hydrogen 2.648 N/A THR 39.A N ALA 48.A O no hydrogen 3.121 N/A THR 39.A OG1 GLU 25.A O no hydrogen 2.791 N/A ASN 41.A N ALA 46.A O no hydrogen 2.793 N/A ASN 41.A ND2 ILE 22.A O no hydrogen 3.204 N/A ASN 41.A ND2 GLU 214.A OE1 no hydrogen 2.775 N/A SER 43.A OG SER 45.A OG no hydrogen 3.201 N/A ARG 44.A N ASN 41.A O no hydrogen 3.068 N/A SER 45.A OG ASN 41.A OD1 no hydrogen 2.730 N/A SER 45.A OG SER 43.A OG no hydrogen 3.201 N/A TYR 47.A N VAL 254.A O no hydrogen 2.885 N/A ALA 48.A N THR 39.A O no hydrogen 3.157 N/A CYS 49.A N HIS 252.A O no hydrogen 2.743 N/A CYS 49.A SG SER 36.A OG no hydrogen 3.532 N/A CYS 49.A SG LEU 37.A O no hydrogen 3.879 N/A PHE 50.A N LEU 37.A O no hydrogen 2.949 N/A LEU 51.A N ASP 250.A O no hydrogen 2.837 N/A PHE 52.A N LEU 35.A O no hydrogen 2.749 N/A ALA 53.A N LEU 248.A O no hydrogen 2.755 N/A PHE 56.A N ALA 53.A O no hydrogen 2.855 N/A PHE 57.A N PRO 54.A O no hydrogen 3.098 N/A GLN 58.A N LEU 3.A O no hydrogen 2.627 N/A GLN 59.A N LEU 3.A O no hydrogen 3.491 N/A TYR 60.A OH LEU 31.A O no hydrogen 2.635 N/A GLN 61.A N LYS 1.A O no hydrogen 2.793 N/A THR 64.A N ASP 68.A OD2 no hydrogen 3.322 N/A THR 64.A OG1 ASP 68.A OD1 no hydrogen 2.498 N/A CYS 72.A N LEU 28.A O no hydrogen 3.190 N/A CYS 72.A SG LEU 28.A O no hydrogen 3.741 N/A LYS 73.A N GLN 124.A O no hydrogen 2.987 N/A LYS 73.A NZ TYR 27.A OH no hydrogen 2.821 N/A ILE 74.A N LEU 26.A O no hydrogen 2.679 N/A PHE 78.A N LEU 75.A O no hydrogen 3.145 N/A SER 80.A N LYS 76.A O no hydrogen 2.926 N/A SER 80.A OG SER 77.A O no hydrogen 2.652 N/A VAL 81.A N PHE 78.A O no hydrogen 3.145 N/A ARG 83.A N SER 80.A O no hydrogen 3.272 N/A GLU 88.A N LEU 85.A O no hydrogen 3.165 N/A LYS 89.A N ALA 86.A O no hydrogen 3.114 N/A VAL 91.A N LEU 87.A O no hydrogen 3.168 N/A GLU 92.A N HIS 110.A O no hydrogen 2.879 N/A LYS 93.A N HIS 110.A O no hydrogen 3.146 N/A CYS 94.A N VAL 4.A O no hydrogen 2.957 N/A CYS 95.A N GLN 108.A O no hydrogen 3.066 N/A CYS 95.A SG CYS 2.A O no hydrogen 3.854 N/A CYS 95.A SG SER 97.A OG no hydrogen 3.524 N/A ILE 96.A N CYS 2.A O no hydrogen 2.706 N/A SER 97.A N VAL 106.A O no hydrogen 2.778 N/A SER 102.A N ASN 99.A O no hydrogen 3.223 N/A SER 102.A OG ARG 104.A O no hydrogen 3.050 N/A LEU 105.A N LEU 121.A O no hydrogen 2.437 N/A VAL 106.A N SER 97.A O no hydrogen 2.972 N/A VAL 107.A N HIS 119.A O no hydrogen 2.879 N/A GLN 108.A N CYS 95.A O no hydrogen 2.925 N/A LEU 109.A N LYS 117.A O no hydrogen 2.823 N/A HIS 110.A N LYS 93.A O no hydrogen 2.642 N/A CYS 111.A N VAL 115.A O no hydrogen 2.802 N/A CYS 111.A SG LEU 109.A O no hydrogen 3.836 N/A LYS 112.A N THR 90.A O no hydrogen 2.856 N/A LYS 112.A NZ LYS 89.A O no hydrogen 3.569 N/A VAL 115.A N LYS 112.A O no hydrogen 3.041 N/A LYS 117.A N LEU 109.A O no hydrogen 3.023 N/A LYS 117.A NZ HIS 119.A NE2 no hydrogen 2.972 N/A HIS 119.A N VAL 107.A O no hydrogen 2.748 N/A LEU 121.A N LEU 105.A O no hydrogen 2.693 N/A GLN 124.A N LYS 73.A O no hydrogen 3.067 N/A CYS 126.A N ARG 71.A O no hydrogen 3.009 N/A CYS 126.A SG GLN 124.A O no hydrogen 3.909 N/A CYS 126.A SG GLU 127.A O no hydrogen 3.789 N/A SER 128.A OG GLU 29.A OE2 no hydrogen 2.645 N/A SER 137.A N ASP 134.A O no hydrogen 3.424 N/A SER 137.A OG ASP 134.A O no hydrogen 3.185 N/A CYS 138.A N PRO 135.A O no hydrogen 2.990 N/A CYS 138.A SG ASP 134.A O no hydrogen 3.635 N/A HIS 140.A N PHE 233.A O no hydrogen 3.291 N/A ARG 142.A N GLN 199.A O no hydrogen 2.920 N/A ALA 143.A N LEU 229.A O no hydrogen 3.033 N/A ALA 145.A N LEU 227.A O no hydrogen 2.884 N/A ARG 146.A NE GLU 223.A O no hydrogen 2.853 N/A ARG 146.A NH2 GLU 223.A O no hydrogen 3.457 N/A VAL 147.A N PRO 144.A O no hydrogen 2.861 N/A LEU 148.A N PRO 144.A O no hydrogen 3.332 N/A GLY 149.A N ALA 145.A O no hydrogen 2.821 N/A GLU 150.A N ARG 146.A O no hydrogen 3.122 N/A ALA 151.A N VAL 147.A O no hydrogen 2.931 N/A VAL 152.A N LEU 148.A O no hydrogen 2.943 N/A LEU 153.A N GLU 150.A O no hydrogen 3.278 N/A PHE 155.A N VAL 152.A O no hydrogen 3.376 N/A ALA 158.A N SER 156.A OG no hydrogen 2.934 N/A LEU 159.A N SER 156.A O no hydrogen 2.855 N/A VAL 162.A N PHE 210.A O no hydrogen 3.048 N/A THR 163.A N ARG 175.A O no hydrogen 2.704 N/A THR 163.A OG1 THR 209.A OG1 no hydrogen 2.618 N/A LEU 164.A N ILE 208.A O no hydrogen 2.695 N/A GLY 165.A N ILE 173.A O no hydrogen 2.853 N/A ILE 166.A N VAL 206.A O no hydrogen 2.778 N/A GLY 167.A N ARG 171.A O no hydrogen 2.755 N/A ARG 170.A NH1 GLU 194.A OE2 no hydrogen 2.520 N/A ARG 171.A N ARG 168.A O no hydrogen 3.415 N/A VAL 172.A N LEU 192.A O no hydrogen 3.225 N/A ILE 173.A N GLY 165.A O no hydrogen 2.756 N/A ARG 175.A N THR 163.A O no hydrogen 2.838 N/A SER 176.A N THR 189.A O no hydrogen 2.913 N/A SER 176.A OG THR 189.A O no hydrogen 3.335 N/A TYR 177.A N GLU 161.A O no hydrogen 3.211 N/A SER 183.A OG GLU 180.A OE2 no hydrogen 2.871 N/A SER 183.A OG THR 184.A O no hydrogen 3.404 N/A ALA 185.A N THR 184.A OG1 no hydrogen 2.578 N/A THR 189.A N SER 176.A OG no hydrogen 2.771 N/A LEU 192.A N VAL 172.A O no hydrogen 2.835 N/A ASP 196.A N GLY 193.A O no hydrogen 3.389 N/A PHE 197.A N GLU 194.A O no hydrogen 3.232 N/A GLN 198.A N ARG 142.A O no hydrogen 2.792 N/A GLN 199.A N ARG 142.A O no hydrogen 3.093 N/A GLY 205.A N ILE 166.A O no hydrogen 2.805 N/A VAL 206.A N GLN 203.A O no hydrogen 3.026 N/A ILE 208.A N LEU 164.A O no hydrogen 2.792 N/A THR 209.A OG1 THR 163.A OG1 no hydrogen 2.618 N/A PHE 210.A N VAL 162.A O no hydrogen 2.994 N/A CYS 211.A SG ALA 160.A O no hydrogen 4.007 N/A LEU 212.A N ALA 160.A O no hydrogen 2.739 N/A PHE 215.A N CYS 211.A O no hydrogen 3.137 N/A ARG 216.A N LEU 212.A O no hydrogen 2.856 N/A ARG 216.A NH1 SER 156.A O no hydrogen 3.125 N/A ARG 216.A NH2 VAL 152.A O no hydrogen 3.466 N/A GLY 217.A N GLU 214.A O no hydrogen 3.092 N/A LEU 218.A N PHE 215.A O no hydrogen 2.831 N/A LEU 219.A N PHE 215.A O no hydrogen 3.055 N/A SER 220.A N ARG 216.A O no hydrogen 2.961 N/A SER 220.A OG ARG 216.A O no hydrogen 3.164 N/A SER 220.A OG GLY 217.A O no hydrogen 2.812 N/A ALA 222.A N LEU 218.A O no hydrogen 2.888 N/A GLU 223.A N LEU 219.A O no hydrogen 2.655 N/A SER 224.A N SER 220.A O no hydrogen 3.404 N/A SER 224.A OG SER 220.A O no hydrogen 3.519 N/A SER 224.A OG PHE 221.A O no hydrogen 3.081 N/A ALA 225.A N PHE 221.A O no hydrogen 3.303 N/A ASN 226.A N GLU 223.A O no hydrogen 2.686 N/A LEU 227.A N ALA 222.A O no hydrogen 3.100 N/A LEU 229.A N ALA 143.A O no hydrogen 2.790 N/A SER 230.A N THR 243.A O no hydrogen 2.907 N/A ILE 231.A N LEU 141.A O no hydrogen 2.812 N/A HIS 232.A N ILE 241.A O no hydrogen 2.748 N/A PHE 233.A N HIS 140.A O no hydrogen 2.892 N/A GLY 237.A N THR 257.A OG1 no hydrogen 2.752 N/A ARG 238.A N ALA 235.A O no hydrogen 2.990 N/A ALA 240.A N LEU 255.A O no hydrogen 2.570 N/A ILE 241.A N HIS 232.A O no hydrogen 2.755 N/A PHE 242.A N PHE 253.A O no hydrogen 2.792 N/A THR 243.A N SER 230.A O no hydrogen 2.859 N/A ILE 244.A N GLY 251.A O no hydrogen 3.139 N/A ASP 246.A N LEU 249.A O no hydrogen 2.855 N/A SER 247.A N ASP 246.A OD1 no hydrogen 3.134 N/A ASP 250.A N LEU 51.A O no hydrogen 2.997 N/A GLY 251.A N ILE 244.A O no hydrogen 3.100 N/A HIS 252.A N CYS 49.A O no hydrogen 2.793 N/A PHE 253.A N PHE 242.A O no hydrogen 2.863 N/A VAL 254.A N TYR 47.A O no hydrogen 2.589 N/A LEU 255.A N ALA 240.A O no hydrogen 2.789 N/A ALA 256.A N SER 45.A O no hydrogen 3.168 N/A THR 257.A OG1 ARG 238.A O no hydrogen 2.734 N/A LEU 258.A N THR 209.A O no hydrogen 3.240 N/A