Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a1j_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLU 65.A O no hydrogen 3.186 N/A LYS 2.A NZ HIS 1.A O no hydrogen 3.042 N/A LYS 2.A NZ GLU 65.A OE2 no hydrogen 3.341 N/A ARG 4.A N GLN 64.A O no hydrogen 2.837 N/A ALA 5.A N ILE 98.A O no hydrogen 2.862 N/A LYS 6.A N GLU 62.A O no hydrogen 2.906 N/A ILE 7.A N LEU 96.A O no hydrogen 2.778 N/A CYS 12.A N ASP 9.A OD1 no hydrogen 2.872 N/A CYS 12.A SG ASP 9.A OD1 no hydrogen 3.269 N/A CYS 12.A SG ASN 58.A O no hydrogen 3.373 N/A LEU 13.A N ASP 9.A O no hydrogen 2.737 N/A ASN 14.A N GLY 10.A O no hydrogen 3.053 N/A HIS 15.A N ALA 11.A O no hydrogen 2.849 N/A PHE 16.A N CYS 12.A O no hydrogen 2.928 N/A THR 17.A N LEU 13.A O no hydrogen 3.195 N/A THR 17.A OG1 LEU 13.A O no hydrogen 2.763 N/A ARG 18.A N ASN 14.A O no hydrogen 2.916 N/A ARG 18.A NH2 GLU 248.A OE2 no hydrogen 2.447 N/A ILE 19.A N HIS 15.A O no hydrogen 3.012 N/A SER 20.A N PHE 16.A O no hydrogen 2.892 N/A SER 20.A OG SER 84.A OG no hydrogen 3.299 N/A ASN 21.A N THR 17.A O no hydrogen 2.893 N/A ALA 23.A N SER 20.A O no hydrogen 3.142 N/A ALA 26.A N ILE 22.A O no hydrogen 3.045 N/A CYS 29.A N LEU 78.A O no hydrogen 3.107 N/A CYS 29.A SG SER 80.A OG no hydrogen 3.655 N/A THR 30.A N ILE 41.A O no hydrogen 2.865 N/A LEU 31.A N LEU 76.A O no hydrogen 2.689 N/A ARG 32.A N ASN 39.A O no hydrogen 2.804 N/A ARG 32.A NE GLU 73.A OE1 no hydrogen 2.650 N/A ARG 32.A NH1 ASN 39.A OD1 no hydrogen 3.422 N/A ARG 32.A NH2 GLU 73.A OE1 no hydrogen 2.855 N/A ILE 33.A N ILE 74.A O no hydrogen 2.808 N/A SER 34.A N LYS 37.A O no hydrogen 3.154 N/A LYS 37.A NZ GLU 55.A OE1 no hydrogen 2.941 N/A LEU 38.A N LEU 54.A O no hydrogen 3.159 N/A ASN 39.A N ARG 32.A O no hydrogen 2.960 N/A ASN 39.A ND2 CYS 52.A O no hydrogen 3.332 N/A ASN 39.A ND2 GLU 53.A OE1 no hydrogen 2.954 N/A PHE 40.A N CYS 52.A O no hydrogen 3.088 N/A ILE 41.A N THR 30.A O no hydrogen 2.726 N/A CYS 43.A SG ASP 139.A O no hydrogen 3.633 N/A LYS 45.A NZ LYS 45.A O no hydrogen 2.981 N/A SER 50.A N PHE 255.A O no hydrogen 3.073 N/A CYS 52.A N PHE 40.A O no hydrogen 2.995 N/A CYS 52.A SG SER 251.A O no hydrogen 3.832 N/A GLU 53.A N SER 251.A O no hydrogen 3.042 N/A LEU 54.A N LEU 38.A O no hydrogen 2.833 N/A GLN 56.A N ASP 36.A O no hydrogen 2.989 N/A GLN 56.A NE2 PRO 35.A O no hydrogen 3.298 N/A ASN 58.A N GLU 55.A O no hydrogen 2.602 N/A PHE 59.A N GLN 56.A O no hydrogen 3.178 N/A PHE 60.A N GLN 56.A O no hydrogen 3.110 N/A ASN 61.A N LYS 6.A O no hydrogen 2.943 N/A GLU 62.A N LYS 6.A O no hydrogen 3.397 N/A GLN 64.A N ARG 4.A O no hydrogen 2.916 N/A GLY 66.A N ASN 72.A OD1 no hydrogen 2.604 N/A SER 68.A N ASN 71.A O no hydrogen 3.392 N/A ILE 74.A N ILE 33.A O no hydrogen 3.157 N/A TYR 75.A OH GLU 73.A OE1 no hydrogen 2.857 N/A LEU 76.A N LEU 31.A O no hydrogen 2.975 N/A GLU 77.A N LYS 130.A O no hydrogen 2.847 N/A LEU 78.A N CYS 29.A O no hydrogen 2.969 N/A SER 80.A N LYS 27.A O no hydrogen 3.079 N/A SER 80.A OG ALA 26.A O no hydrogen 2.929 N/A ASN 82.A N THR 79.A O no hydrogen 2.973 N/A SER 84.A N SER 80.A O no hydrogen 3.231 N/A SER 84.A OG SER 20.A O no hydrogen 3.236 N/A SER 84.A OG SER 20.A OG no hydrogen 3.299 N/A ARG 85.A N GLU 81.A O no hydrogen 2.752 N/A ARG 85.A NE GLU 81.A OE1 no hydrogen 2.911 N/A ARG 85.A NH2 GLU 81.A OE1 no hydrogen 2.420 N/A ALA 86.A N ASN 82.A O no hydrogen 3.089 N/A LEU 87.A N LEU 83.A O no hydrogen 3.292 N/A LYS 88.A N ARG 85.A O no hydrogen 3.175 N/A ALA 90.A N LEU 87.A O no hydrogen 3.094 N/A ASN 92.A N THR 89.A O no hydrogen 3.160 N/A ALA 93.A N ALA 90.A O no hydrogen 3.142 N/A ARG 94.A N GLU 113.A O no hydrogen 2.773 N/A ALA 95.A N GLU 113.A O no hydrogen 3.340 N/A LEU 96.A N ILE 7.A O no hydrogen 2.849 N/A LYS 97.A N SER 111.A O no hydrogen 2.965 N/A ILE 98.A N ALA 5.A O no hydrogen 2.866 N/A LYS 99.A N THR 109.A O no hydrogen 2.950 N/A LEU 100.A N PHE 3.A O no hydrogen 2.893 N/A THR 101.A N CYS 107.A O no hydrogen 2.881 N/A THR 101.A OG1 THR 109.A OG1 no hydrogen 2.783 N/A LYS 103.A NZ ASP 126.A OD1 no hydrogen 3.163 N/A CYS 107.A N THR 101.A O no hydrogen 3.115 N/A CYS 107.A SG PHE 105.A O no hydrogen 3.393 N/A LEU 108.A N ILE 127.A O no hydrogen 2.673 N/A THR 109.A N LYS 99.A O no hydrogen 2.882 N/A THR 109.A OG1 THR 101.A OG1 no hydrogen 2.783 N/A THR 109.A OG1 ASP 126.A OD1 no hydrogen 2.594 N/A VAL 110.A N HIS 125.A O no hydrogen 2.865 N/A SER 111.A N LYS 97.A O no hydrogen 2.833 N/A VAL 112.A N VAL 123.A O no hydrogen 2.721 N/A GLU 113.A N ALA 95.A O no hydrogen 2.994 N/A LEU 114.A N ARG 121.A O no hydrogen 2.891 N/A LEU 115.A N ASN 92.A O no hydrogen 2.948 N/A SER 116.A OG SER 119.A O no hydrogen 3.405 N/A SER 117.A OG SER 116.A OG no hydrogen 3.005 N/A SER 117.A OG SER 119.A O no hydrogen 3.229 N/A VAL 123.A N VAL 112.A O no hydrogen 2.937 N/A HIS 125.A N VAL 110.A O no hydrogen 2.949 N/A ILE 127.A N LEU 108.A O no hydrogen 2.866 N/A ILE 129.A N PRO 106.A O no hydrogen 3.186 N/A LYS 130.A N GLU 77.A O no hydrogen 3.041 N/A ILE 132.A N TYR 75.A O no hydrogen 2.694 N/A LEU 136.A N PRO 133.A O no hydrogen 2.730 N/A TRP 137.A N ARG 134.A O no hydrogen 3.057 N/A TRP 137.A NE1 ILE 132.A O no hydrogen 2.919 N/A ASP 139.A N LEU 136.A O no hydrogen 3.163 N/A LEU 140.A N TRP 137.A O no hydrogen 3.045 N/A ASP 149.A N ILE 236.A O no hydrogen 2.832 N/A VAL 150.A N ILE 236.A O no hydrogen 3.340 N/A SER 151.A OG ASN 235.A OD1 no hydrogen 2.703 N/A ILE 152.A N CYS 234.A O no hydrogen 2.811 N/A TYR 153.A N GLY 201.A O no hydrogen 3.166 N/A LEU 154.A N ALA 232.A O no hydrogen 3.093 N/A LYS 160.A NZ GLU 164.A OE2 no hydrogen 2.598 N/A SER 161.A N LYS 158.A O no hydrogen 3.073 N/A SER 161.A OG LYS 158.A O no hydrogen 3.076 N/A VAL 162.A N THR 159.A O no hydrogen 3.151 N/A GLU 164.A N LYS 160.A O no hydrogen 2.796 N/A LYS 165.A N SER 161.A O no hydrogen 3.136 N/A ASN 167.A N LYS 165.A O no hydrogen 3.050 N/A SER 169.A OG HIS 171.A O no hydrogen 3.401 N/A HIS 171.A N SER 169.A OG no hydrogen 3.081 N/A HIS 171.A ND1 ASN 170.A OD1 no hydrogen 2.857 N/A LEU 172.A N ILE 213.A O no hydrogen 2.940 N/A VAL 173.A N LYS 185.A O no hydrogen 2.875 N/A ILE 174.A N VAL 211.A O no hydrogen 3.192 N/A GLU 175.A N ASN 183.A O no hydrogen 3.052 N/A ALA 176.A N ALA 209.A O no hydrogen 3.124 N/A ASN 177.A N GLU 181.A O no hydrogen 3.098 N/A ASN 177.A ND2 GLU 181.A OE1 no hydrogen 3.136 N/A ASN 177.A ND2 GLU 207.A O no hydrogen 3.688 N/A ASP 179.A N ASN 177.A OD1 no hydrogen 2.769 N/A GLU 181.A N ASN 177.A OD1 no hydrogen 3.065 N/A LEU 182.A N PHE 197.A O no hydrogen 2.910 N/A ASN 183.A N GLU 175.A O no hydrogen 2.794 N/A LEU 184.A N THR 195.A O no hydrogen 3.052 N/A LYS 185.A N VAL 173.A O no hydrogen 2.874 N/A LYS 185.A NZ GLU 175.A OE2 no hydrogen 3.138 N/A ILE 186.A N VAL 193.A O no hydrogen 3.020 N/A THR 188.A N VAL 191.A O no hydrogen 3.056 N/A THR 188.A OG1 VAL 191.A O no hydrogen 2.880 N/A VAL 191.A N THR 188.A OG1 no hydrogen 3.115 N/A CYS 192.A SG THR 188.A O no hydrogen 3.935 N/A VAL 193.A N ILE 186.A O no hydrogen 3.084 N/A THR 195.A N LEU 184.A O no hydrogen 2.895 N/A HIS 196.A ND1 ASN 183.A OD1 no hydrogen 2.774 N/A PHE 197.A N LEU 182.A O no hydrogen 2.786 N/A LEU 200.A N GLY 180.A O no hydrogen 3.038 N/A ASN 202.A ND2 SER 151.A O no hydrogen 3.381 N/A ASN 202.A ND2 ASN 177.A O no hydrogen 2.854 N/A ALA 209.A N ALA 176.A O no hydrogen 2.953 N/A GLU 210.A N ASN 238.A OD1 no hydrogen 2.771 N/A VAL 211.A N ILE 174.A O no hydrogen 3.189 N/A ILE 213.A N LEU 172.A O no hydrogen 2.671 N/A ILE 215.A N ASN 170.A O no hydrogen 2.779 N/A ARG 216.A N ASP 214.A OD1 no hydrogen 3.086 N/A ARG 216.A NE ASP 214.A OD1 no hydrogen 2.961 N/A ARG 216.A NH2 ASP 214.A OD1 no hydrogen 3.479 N/A ARG 216.A NH2 ASP 214.A OD2 no hydrogen 3.011 N/A LYS 217.A N ASP 214.A O no hydrogen 3.150 N/A LEU 219.A N ILE 215.A O no hydrogen 2.841 N/A GLN 220.A N ARG 216.A O no hydrogen 3.009 N/A GLN 220.A NE2 LYS 24.A O no hydrogen 3.232 N/A PHE 221.A N LYS 217.A O no hydrogen 3.165 N/A LEU 222.A N LEU 218.A O no hydrogen 3.060 N/A ALA 223.A N LEU 219.A O no hydrogen 2.663 N/A GLY 224.A N GLN 220.A O no hydrogen 3.005 N/A GLN 226.A NE2 GLN 226.A O no hydrogen 3.275 N/A THR 230.A OG1 HIS 247.A ND1 no hydrogen 3.212 N/A LYS 231.A N LEU 246.A O no hydrogen 3.393 N/A LYS 231.A NZ ASP 244.A OD2 no hydrogen 3.151 N/A LEU 233.A N ASP 244.A O no hydrogen 2.938 N/A CYS 234.A N ILE 152.A O no hydrogen 2.832 N/A ASN 235.A N HIS 242.A O no hydrogen 2.768 N/A ILE 236.A N VAL 150.A O no hydrogen 2.855 N/A ASN 238.A N ASP 149.A OD2 no hydrogen 2.793 N/A ASN 239.A N GLU 210.A O no hydrogen 2.702 N/A LYS 240.A N VAL 237.A O no hydrogen 2.621 N/A LYS 240.A NZ ASN 239.A O no hydrogen 2.961 N/A VAL 241.A N ILE 256.A O no hydrogen 2.866 N/A HIS 242.A N ASN 235.A O no hydrogen 2.656 N/A PHE 243.A N TYR 254.A O no hydrogen 2.848 N/A ASP 244.A N LEU 233.A O no hydrogen 2.884 N/A LEU 245.A N LEU 252.A O no hydrogen 3.030 N/A LEU 246.A N LYS 231.A O no hydrogen 2.889 N/A HIS 247.A N VAL 250.A O no hydrogen 3.263 N/A HIS 247.A ND1 THR 230.A OG1 no hydrogen 3.212 N/A LEU 252.A N LEU 245.A O no hydrogen 2.936 N/A GLN 253.A N TRP 51.A O no hydrogen 2.689 N/A GLN 253.A NE2 ASP 244.A OD1 no hydrogen 2.584 N/A TYR 254.A N PHE 243.A O no hydrogen 3.006 N/A PHE 255.A N SER 50.A O no hydrogen 2.731 N/A ILE 256.A N VAL 241.A O no hydrogen 2.946 N/A ALA 258.A N LYS 240.A O no hydrogen 3.082 N/A LEU 259.A N HIS 212.A O no hydrogen 2.885 N/A SER 260.A OG LEU 259.A O no hydrogen 2.724 N/A