Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1y1j_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ASP 186.A OD2 no hydrogen 2.917 N/A SER 4.A OG.A GLU 50.A OE1 no hydrogen 2.613 N/A LYS 5.A N ALA 2.A O no hydrogen 3.051 N/A LYS 5.A NZ TYR 44.A OH no hydrogen 3.357 N/A VAL 7.A N MET 41.A O no hydrogen 2.787 N/A ILE 9.A N PHE 39.A O no hydrogen 2.799 N/A GLY 12.A N ILE 36.A O no hydrogen 3.035 N/A PHE 14.A N VAL 34.A O no hydrogen 2.884 N/A MET 16.A N ARG 32.A O no hydrogen 2.820 N/A GLY 17.A N GLU 136.A OE2 no hydrogen 2.858 N/A THR 18.A N GLU 28.A O no hydrogen 2.849 N/A ASP 20.A N THR 18.A OG1 no hydrogen 2.849 N/A GLN 22.A N GLU 28.A OE1 no hydrogen 2.833 N/A GLN 22.A NE2 ASP 20.A O no hydrogen 3.007 N/A ILE 23.A N GLU 28.A OE1 no hydrogen 3.275 N/A ASP 26.A N ILE 23.A O no hydrogen 3.069 N/A GLY 27.A N LYS 24.A O no hydrogen 3.162 N/A ALA 31.A N ASP 19.A OD1 no hydrogen 2.851 N/A ARG 32.A N MET 16.A O no hydrogen 2.948 N/A ARG 32.A NH1 PRO 30.A O no hydrogen 2.958 N/A ARG 33.A NH1 THR 15.A OG1 no hydrogen 2.790 N/A VAL 34.A N PHE 14.A O no hydrogen 2.852 N/A THR 35.A N THR 219.A O no hydrogen 2.842 N/A ILE 36.A N GLY 12.A O no hydrogen 2.874 N/A ASP 37.A N ASN 221.A OD1 no hydrogen 2.971 N/A PHE 39.A N ILE 9.A O no hydrogen 3.192 N/A TYR 40.A N ALA 270.A O no hydrogen 2.803 N/A MET 41.A N VAL 7.A O no hydrogen 2.913 N/A ASP 42.A N CYS 268.A O no hydrogen 2.948 N/A ALA 43.A N LYS 5.A O no hydrogen 2.994 N/A VAL 46.A N PHE 266.A O no hydrogen 2.898 N/A ASN 48.A N HIS 108.A O no hydrogen 2.872 N/A ASN 48.A ND2 ARG 105.A O no hydrogen 2.923 N/A THR 49.A N PRO 106.A O no hydrogen 2.974 N/A THR 49.A OG1 PRO 106.A O no hydrogen 3.098 N/A GLU 50.A N SER 47.A OG no hydrogen 3.064 N/A PHE 51.A N SER 47.A O no hydrogen 2.876 N/A GLU 52.A N ASN 48.A O no hydrogen 2.842 N/A LYS 53.A N THR 49.A O no hydrogen 3.118 N/A LYS 53.A NZ GLU 50.A OE2 no hydrogen 2.873 N/A PHE 54.A N GLU 50.A O no hydrogen 3.375 N/A VAL 55.A N PHE 51.A O no hydrogen 2.929 N/A ASN 56.A N GLU 52.A O no hydrogen 2.750 N/A SER 57.A N LYS 53.A O no hydrogen 2.942 N/A THR 58.A N PHE 54.A O no hydrogen 2.981 N/A THR 58.A OG1 PHE 54.A O no hydrogen 2.892 N/A GLY 59.A N VAL 55.A O no hydrogen 2.816 N/A TYR 60.A N THR 58.A OG1 no hydrogen 2.981 N/A TYR 60.A OH ASP 117.A OD1 no hydrogen 2.666 N/A THR 62.A N GLU 65.A OE1 no hydrogen 2.880 N/A THR 62.A OG1 GLU 65.A OE1 no hydrogen 2.580 N/A GLU 63.A N ASP 117.A OD1 no hydrogen 3.033 N/A LYS 66.A N THR 62.A O no hydrogen 3.137 N/A PHE 67.A N GLU 63.A O no hydrogen 2.849 N/A GLY 68.A N ALA 64.A O no hydrogen 2.818 N/A SER 70.A N VAL 87.A O no hydrogen 3.242 N/A SER 70.A OG HIS 112.A ND1 no hydrogen 2.697 N/A SER 70.A OG SER 260.A OG no hydrogen 2.659 N/A VAL 72.A N LEU 85.A O no hydrogen 2.832 N/A PHE 73.A N SER 262.A OG no hydrogen 3.110 N/A GLU 74.A N TRP 83.A O no hydrogen 2.751 N/A MET 76.A N PHE 73.A O no hydrogen 2.985 N/A LEU 77.A N GLU 74.A O no hydrogen 3.239 N/A TRP 84.A N ALA 81.A O no hydrogen 2.992 N/A LEU 85.A N VAL 72.A O no hydrogen 2.997 N/A VAL 87.A N SER 70.A O no hydrogen 2.850 N/A LYS 88.A NZ.B ASP 69.A OD2 no hydrogen 3.466 N/A GLY 89.A N GLY 68.A O no hydrogen 2.844 N/A ALA 90.A N VAL 87.A O no hydrogen 3.279 N/A ASN 91.A N HIS 94.A O no hydrogen 3.133 N/A ARG 93.A N ASN 91.A OD1 no hydrogen 3.034 N/A ARG 93.A NH1 GLU 52.A OE2 no hydrogen 3.187 N/A HIS 94.A N ASN 91.A O no hydrogen 2.907 N/A HIS 94.A ND1 SER 100.A O no hydrogen 2.767 N/A GLU 96.A N SER 100.A OG no hydrogen 2.954 N/A GLY 97.A N HIS 94.A O no hydrogen 3.009 N/A SER 100.A N GLY 97.A O no hydrogen 3.007 N/A SER 100.A OG GLY 97.A O no hydrogen 2.720 N/A LEU 103.A N THR 101.A OG1 no hydrogen 3.097 N/A ARG 105.A N ILE 102.A O no hydrogen 3.033 N/A ARG 105.A NE THR 101.A O no hydrogen 2.929 N/A ARG 105.A NH1 GLU 96.A OE2 no hydrogen 3.089 N/A ARG 105.A NH2 GLU 96.A OE1 no hydrogen 2.868 N/A ARG 105.A NH2 GLU 96.A OE2 no hydrogen 3.388 N/A ARG 105.A NH2 THR 101.A O no hydrogen 2.999 N/A HIS 108.A N ARG 105.A O no hydrogen 3.342 N/A HIS 108.A ND1 THR 182.A OG1 no hydrogen 2.710 N/A VAL 110.A N VAL 46.A O no hydrogen 2.869 N/A HIS 112.A N ALA 261.A O no hydrogen 3.067 N/A HIS 112.A ND1 SER 70.A OG no hydrogen 2.697 N/A HIS 112.A NE2 PRO 95.A O no hydrogen 2.744 N/A SER 114.A N ASP 117.A OD2 no hydrogen 2.763 N/A SER 114.A OG GLU 63.A OE2 no hydrogen 2.616 N/A TRP 115.A N PRO 257.A O no hydrogen 2.944 N/A TRP 115.A NE1 THR 206.A O no hydrogen 2.815 N/A ASN 116.A ND2 GLU 63.A OE2 no hydrogen 2.892 N/A ASP 117.A N SER 114.A OG no hydrogen 3.062 N/A ALA 118.A N SER 114.A O no hydrogen 2.875 N/A VAL 119.A N TRP 115.A O no hydrogen 2.957 N/A ALA 120.A N ASN 116.A O no hydrogen 2.987 N/A TYR 121.A N ASP 117.A O no hydrogen 3.019 N/A CYS 122.A N ALA 118.A O no hydrogen 2.861 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.467 N/A THR 123.A N.A VAL 119.A O no hydrogen 2.936 N/A THR 123.A N.B VAL 119.A O no hydrogen 2.917 N/A THR 123.A OG1.A VAL 119.A O no hydrogen 2.712 N/A THR 123.A OG1.A ALA 120.A O no hydrogen 3.006 N/A THR 123.A OG1.B VAL 119.A O no hydrogen 2.479 N/A TRP 124.A N ALA 120.A O no hydrogen 2.907 N/A TRP 124.A NE1 SER 57.A OG no hydrogen 3.184 N/A ALA 125.A N TYR 121.A O no hydrogen 2.901 N/A GLY 126.A N THR 123.A O.A no hydrogen 3.075 N/A GLY 126.A N THR 123.A O.B no hydrogen 2.854 N/A LYS 127.A N CYS 122.A O no hydrogen 2.772 N/A LYS 127.A NZ SER 4.A O no hydrogen 3.106 N/A LYS 127.A NZ ASP 42.A OD1 no hydrogen 2.900 N/A ARG 128.A N ALA 269.A O no hydrogen 2.859 N/A ARG 128.A NE ASP 271.A OD1.A no hydrogen 3.046 N/A ARG 128.A NE ASP 271.A OD2.B no hydrogen 3.000 N/A ARG 128.A NH1 LEU 129.A O no hydrogen 3.099 N/A ARG 128.A NH1 GLU 134.A OE1 no hydrogen 2.768 N/A ARG 128.A NH2 GLU 134.A OE1 no hydrogen 3.471 N/A ARG 128.A NH2 GLU 134.A OE2 no hydrogen 2.896 N/A ARG 128.A NH2 ASP 271.A OD1.A no hydrogen 2.945 N/A ARG 128.A NH2 ASP 271.A OD1.B no hydrogen 3.350 N/A THR 131.A N GLU 134.A OE1 no hydrogen 2.939 N/A GLU 132.A N ASP 208.A OD1 no hydrogen 2.868 N/A GLU 134.A N THR 131.A OG1 no hydrogen 2.895 N/A TRP 135.A N THR 131.A O no hydrogen 2.869 N/A TRP 135.A NE1 GLU 204.A OE1 no hydrogen 2.864 N/A GLU 136.A N GLU 132.A O no hydrogen 2.790 N/A TYR 137.A N ALA 133.A O no hydrogen 2.906 N/A TYR 137.A OH PRO 10.A O no hydrogen 2.683 N/A SER 138.A N GLU 134.A O no hydrogen 2.925 N/A SER 138.A OG GLU 134.A O no hydrogen 2.766 N/A CYS 139.A N TRP 135.A O no hydrogen 2.808 N/A ARG 140.A N GLU 136.A O no hydrogen 2.984 N/A ARG 140.A NE GLU 136.A OE2 no hydrogen 3.076 N/A ARG 140.A NH1 ARG 146.A O no hydrogen 3.197 N/A ARG 140.A NH2 GLU 136.A OE2 no hydrogen 3.048 N/A GLY 141.A N SER 138.A O no hydrogen 3.064 N/A LEU 143.A N ARG 140.A O no hydrogen 3.158 N/A ARG 146.A NH1 HIS 144.A O no hydrogen 2.771 N/A LEU 147.A N ASN 152.A OD1 no hydrogen 2.873 N/A PHE 148.A N GLY 151.A O no hydrogen 2.879 N/A TRP 150.A NE1 LYS 153.A O no hydrogen 2.740 N/A GLY 151.A N PHE 148.A O no hydrogen 3.131 N/A LYS 157.A NZ.B GLN 159.A OE1 no hydrogen 2.871 N/A LYS 157.A NZ.B TYR 161.A OH no hydrogen 2.482 N/A GLY 158.A N GLN 155.A O no hydrogen 3.012 N/A GLN 159.A N PRO 156.A O no hydrogen 2.985 N/A HIS 160.A NE2 GLU 176.A OE2 no hydrogen 2.837 N/A ASN 163.A ND2 GLY 181.A O no hydrogen 2.828 N/A ASN 163.A ND2 ASN 201.A OD1 no hydrogen 2.881 N/A ILE 164.A N ASP 177.A OD2 no hydrogen 3.103 N/A GLN 166.A NE2 ASP 177.A OD2 no hydrogen 2.966 N/A THR 172.A N GLU 168.A O no hydrogen 2.770 N/A THR 174.A N GLN 166.A O no hydrogen 2.852 N/A THR 174.A OG1 GLN 166.A O no hydrogen 3.443 N/A GLY 175.A N ASN 173.A OD1 no hydrogen 3.053 N/A GLU 176.A N THR 174.A OG1 no hydrogen 3.263 N/A ASP 177.A N GLN 166.A OE1 no hydrogen 2.919 N/A GLY 178.A N GLY 175.A O no hydrogen 2.933 N/A PHE 179.A N ASP 177.A OD1 no hydrogen 3.092 N/A GLN 180.A NE2 ASN 173.A O no hydrogen 3.021 N/A THR 182.A OG1 HIS 108.A ND1 no hydrogen 2.710 N/A ALA 183.A N ASN 201.A OD1 no hydrogen 2.731 N/A VAL 185.A N ASP 107.A O no hydrogen 2.808 N/A ALA 187.A N PRO 184.A O no hydrogen 2.988 N/A ASN 191.A N LEU 195.A O no hydrogen 2.863 N/A ASN 191.A ND2 SER 138.A O no hydrogen 2.887 N/A ASN 191.A ND2 CYS 139.A O no hydrogen 3.061 N/A TYR 193.A N ASN 191.A OD1 no hydrogen 3.071 N/A GLY 194.A N ASN 191.A O no hydrogen 2.923 N/A LEU 195.A N ASN 191.A OD1 no hydrogen 3.081 N/A TYR 196.A N ALA 43.A O no hydrogen 2.865 N/A ASN 197.A ND2 VAL 185.A O no hydrogen 2.904 N/A ASN 197.A ND2 ALA 187.A O no hydrogen 2.935 N/A GLY 200.A N GLY 235.A O no hydrogen 2.843 N/A ASN 201.A N ASN 163.A O no hydrogen 2.963 N/A ASN 201.A ND2 GLU 45.A OE1 no hydrogen 2.878 N/A ASN 201.A ND2 ALA 183.A O no hydrogen 3.038 N/A ALA 202.A N GLU 45.A OE2 no hydrogen 2.978 N/A TRP 203.A N ASN 263.A O no hydrogen 2.819 N/A GLU 204.A N LYS 234.A O no hydrogen 2.945 N/A TRP 205.A N GLY 265.A O no hydrogen 3.172 N/A TRP 205.A NE1 VAL 113.A O no hydrogen 3.027 N/A THR 206.A N VAL 232.A O no hydrogen 2.898 N/A THR 206.A OG1 VAL 232.A O no hydrogen 2.873 N/A SER 207.A N PRO 130.A O no hydrogen 2.860 N/A SER 207.A OG PRO 130.A O no hydrogen 3.268 N/A SER 207.A OG ASP 208.A OD1 no hydrogen 3.470 N/A TRP 210.A N ASP 230.A O no hydrogen 2.775 N/A HIS 213.A N THR 211.A OG1 no hydrogen 3.164 N/A HIS 214.A NE2 GLY 27.A O no hydrogen 2.795 N/A SER 215.A OG.A GLU 217.A OE1 no hydrogen 2.698 N/A SER 215.A OG.B GLU 217.A OE1 no hydrogen 3.314 N/A GLU 217.A N SER 215.A OG.B no hydrogen 2.744 N/A THR 219.A N ARG 33.A O no hydrogen 3.378 N/A ASN 221.A N THR 35.A O no hydrogen 2.791 N/A ARG 231.A N ASN 255.A O no hydrogen 2.867 N/A VAL 232.A N ASP 208.A O no hydrogen 2.887 N/A LYS 233.A N SER 253.A O no hydrogen 2.932 N/A LYS 233.A NZ ASN 255.A OD1 no hydrogen 2.689 N/A LYS 234.A N GLU 204.A O no hydrogen 2.872 N/A LYS 234.A NZ GLU 132.A OE2 no hydrogen 2.874 N/A LYS 234.A NZ GLU 136.A OE1 no hydrogen 2.873 N/A LYS 234.A NZ CYS 249.A O no hydrogen 3.153 N/A LYS 234.A NZ ALA 251.A O no hydrogen 2.736 N/A TYR 238.A N ASN 201.A O no hydrogen 2.844 N/A MET 239.A N SER 237.A OG no hydrogen 3.138 N/A HIS 240.A N CYS 244.A O no hydrogen 3.317 N/A HIS 240.A ND1 SER 242.A OG no hydrogen 2.962 N/A ARG 241.A NH1 ARG 241.A O no hydrogen 3.282 N/A SER 242.A N HIS 240.A ND1 no hydrogen 2.922 N/A SER 242.A OG HIS 240.A ND1 no hydrogen 2.962 N/A TYR 243.A N HIS 240.A O no hydrogen 3.225 N/A TYR 243.A OH MET 239.A O no hydrogen 2.570 N/A CYS 244.A N HIS 240.A O no hydrogen 2.959 N/A ARG 246.A NE ASP 26.A OD2 no hydrogen 2.868 N/A ARG 246.A NH2 ASP 26.A OD2 no hydrogen 2.996 N/A ARG 248.A NE TYR 245.A O no hydrogen 2.919 N/A ARG 248.A NH1 GLU 28.A OE1 no hydrogen 3.019 N/A ARG 248.A NH1 GLU 28.A OE2 no hydrogen 3.422 N/A ARG 248.A NH2 GLU 28.A OE2 no hydrogen 2.768 N/A ARG 248.A NH2 TYR 245.A O no hydrogen 2.810 N/A CYS 249.A N LEU 147.A O no hydrogen 3.205 N/A ALA 251.A N ARG 248.A O no hydrogen 3.137 N/A ARG 252.A NE GLU 132.A OE2 no hydrogen 2.842 N/A ARG 252.A NH1 ASP 26.A O no hydrogen 2.942 N/A ARG 252.A NH1 THR 211.A O no hydrogen 2.823 N/A ARG 252.A NH2 GLU 132.A OE1 no hydrogen 2.886 N/A ARG 252.A NH2 THR 211.A O no hydrogen 3.213 N/A SER 253.A N LYS 233.A O no hydrogen 3.067 N/A SER 253.A OG.A GLN 254.A OE1.A no hydrogen 3.277 N/A ASN 255.A N ARG 231.A O no hydrogen 3.160 N/A THR 256.A OG1 ASP 258.A OD1 no hydrogen 2.925 N/A THR 256.A OG1 SER 259.A OG no hydrogen 2.778 N/A SER 259.A N THR 256.A O no hydrogen 2.896 N/A SER 259.A OG THR 256.A O no hydrogen 3.037 N/A SER 259.A OG THR 256.A OG1 no hydrogen 2.778 N/A SER 260.A OG SER 70.A OG no hydrogen 2.659 N/A SER 262.A N PHE 71.A O no hydrogen 2.910 N/A SER 262.A OG PHE 71.A O no hydrogen 3.517 N/A ASN 263.A ND2 SER 237.A OG no hydrogen 3.413 N/A LEU 264.A N ALA 261.A O no hydrogen 3.448 N/A GLY 265.A N TRP 203.A O no hydrogen 2.759 N/A ARG 267.A NE GLU 204.A OE1 no hydrogen 2.806 N/A ARG 267.A NH1 ASP 42.A O no hydrogen 3.066 N/A ARG 267.A NH1 TYR 196.A O no hydrogen 3.452 N/A ARG 267.A NH2 TYR 196.A O no hydrogen 2.836 N/A ARG 267.A NH2 GLU 204.A OE1 no hydrogen 3.462 N/A ARG 267.A NH2 GLU 204.A OE2 no hydrogen 2.940 N/A CYS 268.A N ASP 42.A OD2 no hydrogen 2.998 N/A ALA 269.A N ARG 128.A O no hydrogen 2.668 N/A ALA 270.A N TYR 40.A O no hydrogen 2.861 N/A