Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1klj_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLN 134.A O no hydrogen 2.955 N/A ILE 1.A N ASP 185.A OD2 no hydrogen 2.697 N/A VAL 2.A N ASP 180.A O no hydrogen 2.692 N/A LYS 5.A N VAL 147.A O no hydrogen 3.117 N/A CYS 7.A N LEU 145.A O no hydrogen 2.780 N/A CYS 7.A SG PRO 8.A O no hydrogen 3.737 N/A LYS 9.A NZ ASP 65.A OD1 no hydrogen 3.566 N/A LYS 9.A NZ ASP 65.A OD2 no hydrogen 2.974 N/A LYS 9.A NZ ASP 67.A OD1 no hydrogen 2.267 N/A GLU 11.A N PRO 8.A O no hydrogen 3.063 N/A GLN 15.A N CYS 12.A O no hydrogen 3.154 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 2.937 N/A VAL 16.A N GLY 28.A O no hydrogen 2.780 N/A LEU 17.A N VAL 55.A O no hydrogen 3.164 N/A LEU 18.A N CYS 26.A O no hydrogen 2.464 N/A LEU 19.A N ILE 53.A O no hydrogen 2.972 N/A VAL 20.A N ALA 23.A O no hydrogen 2.766 N/A ASN 21.A ND2 ASN 51.A OD1 no hydrogen 3.097 N/A ALA 23.A N VAL 20.A O no hydrogen 2.613 N/A GLN 24.A NE2 TRP 132.A O no hydrogen 3.043 N/A LEU 25.A N LEU 18.A O no hydrogen 2.583 N/A CYS 26.A N LEU 18.A O no hydrogen 3.048 N/A CYS 26.A SG LEU 25.A O no hydrogen 3.046 N/A CYS 26.A SG SER 186.A O no hydrogen 3.664 N/A GLY 27.A N SER 186.A O no hydrogen 3.085 N/A GLY 28.A N VAL 16.A O no hydrogen 3.118 N/A THR 29.A N VAL 37.A O no hydrogen 2.688 N/A LEU 30.A N TRP 14.A O no hydrogen 3.057 N/A ILE 31.A N TRP 35.A O no hydrogen 2.991 N/A ILE 34.A N ASN 32.A OD1 no hydrogen 3.100 N/A VAL 36.A N LEU 94.A O no hydrogen 2.928 N/A VAL 37.A N THR 29.A O no hydrogen 2.653 N/A SER 38.A N ALA 92.A O no hydrogen 2.759 N/A SER 38.A OG GLY 27.A O no hydrogen 2.745 N/A HIS 41.A N ASP 90.A OD1 no hydrogen 2.806 N/A HIS 41.A ND1 ASP 90.A OD1 no hydrogen 3.162 N/A HIS 41.A ND1 ASP 90.A OD2 no hydrogen 2.456 N/A HIS 41.A NE2 SER 186.A OG no hydrogen 2.820 N/A CYS 42.A N ALA 39.A O no hydrogen 3.077 N/A CYS 42.A SG SER 186.A O no hydrogen 3.854 N/A PHE 43.A N ALA 40.A O no hydrogen 2.850 N/A ASP 44.A N HIS 41.A O no hydrogen 3.281 N/A ASN 51.A N ASN 48D.A O no hydrogen 2.816 N/A ILE 53.A N LEU 19.A O no hydrogen 3.084 N/A ALA 54.A N ARG 71.A O no hydrogen 2.861 N/A VAL 55.A N LEU 17.A O no hydrogen 2.920 N/A LEU 56.A N GLN 69.A O no hydrogen 2.723 N/A HIS 59.A N GLU 58.A OE1 no hydrogen 2.783 N/A HIS 59.A NE2 GLU 144.A OE1 no hydrogen 3.194 N/A LEU 61.A N LEU 143.A O no hydrogen 2.564 N/A SER 62.A N ASP 60.A OD1 no hydrogen 2.738 N/A SER 62.A OG ASP 60.A OD1 no hydrogen 2.517 N/A ASP 65.A N GLU 68.A OE1 no hydrogen 2.860 N/A ASP 65.A N GLU 68.A OE2 no hydrogen 2.923 N/A GLY 66.A N GLU 68.A OE2 no hydrogen 2.822 N/A ASP 67.A N ASP 65.A OD1 no hydrogen 2.970 N/A GLU 68.A N GLU 68.A OE2 no hydrogen 2.812 N/A GLN 69.A N LEU 56.A O no hydrogen 2.729 N/A GLN 69.A NE2 VAL 101.A O no hydrogen 2.858 N/A ARG 71.A N ALA 54.A O no hydrogen 2.887 N/A ARG 71.A NE PRO 99.A O no hydrogen 2.873 N/A ARG 71.A NH1 SER 70.A O no hydrogen 2.905 N/A ARG 71.A NH2 PRO 99.A O no hydrogen 2.962 N/A VAL 73.A N LEU 52.A O no hydrogen 2.864 N/A ALA 74.A N ARG 95.A O no hydrogen 2.683 N/A GLN 75.A N ARG 95.A O no hydrogen 3.307 N/A GLN 75.A NE2 ARG 238.A O no hydrogen 2.772 N/A GLN 75.A NE2 GLY 240.A O no hydrogen 2.470 N/A VAL 76.A N VAL 241.A O no hydrogen 2.778 N/A ILE 77.A N LEU 93.A O no hydrogen 2.644 N/A ILE 78.A N LEU 243.A O no hydrogen 3.063 N/A TYR 82.A N PRO 79.A O no hydrogen 3.241 N/A TYR 82.A OH ASP 44.A OD1 no hydrogen 2.839 N/A TYR 82.A OH ASP 44.A OD2 no hydrogen 2.749 N/A GLY 85.A N ASP 44.A OD2 no hydrogen 2.919 N/A THR 86.A N VAL 83.A O no hydrogen 2.648 N/A THR 86.A OG1 VAL 83.A O no hydrogen 2.674 N/A HIS 89.A ND1 TYR 225.A OH no hydrogen 2.410 N/A ILE 91.A N HIS 89.A O no hydrogen 2.752 N/A ALA 92.A N SER 38.A O no hydrogen 3.223 N/A LEU 93.A N ILE 77.A O no hydrogen 2.731 N/A LEU 94.A N VAL 36.A O no hydrogen 2.662 N/A ARG 95.A N GLN 75.A O no hydrogen 2.847 N/A LEU 96.A N ILE 34.A O no hydrogen 2.899 N/A HIS 97.A N ARG 72.A O no hydrogen 2.690 N/A VAL 100.A N THR 33.A O no hydrogen 3.008 N/A VAL 101.A N GLN 69.A OE1 no hydrogen 2.756 N/A THR 103.A N VAL 106.A O no hydrogen 2.972 N/A HIS 105.A N THR 103.A OG1 no hydrogen 2.960 N/A VAL 106.A N THR 103.A O no hydrogen 3.061 N/A VAL 106.A N THR 103.A OG1 no hydrogen 3.133 N/A VAL 107.A N PRO 13.A O no hydrogen 3.260 N/A LEU 109.A N LEU 30.A O no hydrogen 2.682 N/A ARG 114.A NE GLU 227.A OE1 no hydrogen 3.343 N/A ARG 114.A NH1 GLN 224.A OE1 no hydrogen 3.037 N/A ARG 114.A NH1 GLU 118A.A OE2 no hydrogen 3.203 N/A SER 117.A N GLU 113.A O no hydrogen 3.122 N/A SER 127.A N VAL 150.A O no hydrogen 3.204 N/A SER 127.A OG THR 192.A OG1 no hydrogen 2.737 N/A LEU 128.A N ALA 191.A O no hydrogen 2.846 N/A VAL 129.A N LEU 148.A O no hydrogen 3.145 N/A SER 130.A OG GLN 15.A OE1 no hydrogen 2.688 N/A GLY 131.A N MET 146.A O no hydrogen 3.202 N/A TRP 132.A NE1 HIS 59.A O no hydrogen 2.907 N/A GLY 133.A N ASP 185.A OD1 no hydrogen 2.804 N/A GLN 134.A N LYS 183.A O no hydrogen 3.317 N/A GLN 134.A NE2 LYS 183.A O no hydrogen 3.380 N/A LEU 135.A N ALA 140.A O no hydrogen 3.214 N/A GLY 139.A N LEU 136.A O no hydrogen 2.748 N/A ALA 142.A N TRP 132.A O no hydrogen 3.134 N/A LEU 145.A N HIS 59.A O no hydrogen 2.818 N/A MET 146.A N GLY 131.A O no hydrogen 3.275 N/A VAL 147.A N LYS 5.A O no hydrogen 2.895 N/A LEU 148.A N VAL 129.A O no hydrogen 2.938 N/A ASN 149.A ND2 SER 127.A O no hydrogen 2.747 N/A VAL 150.A N SER 127.A O no hydrogen 2.873 N/A ARG 152.A N ARG 125.A O no hydrogen 3.088 N/A LEU 153.A N CYS 171.A O no hydrogen 2.951 N/A CYS 158.A N MET 154.A O no hydrogen 2.859 N/A LEU 159.A N THR 155.A O no hydrogen 3.172 N/A GLN 160.A N GLN 156.A O no hydrogen 3.234 N/A TYR 168.A N THR 166.A OG1 no hydrogen 3.141 N/A MET 169.A N THR 166.A O no hydrogen 3.190 N/A PHE 170.A N TYR 219.A O no hydrogen 2.927 N/A ALA 172.A N GLY 217.A O no hydrogen 3.026 N/A TYR 174.A OH ASN 149.A O no hydrogen 3.107 N/A LYS 179.A NZ SER 178A.A OG no hydrogen 2.657 N/A ASP 180.A N VAL 2.A O no hydrogen 2.854 N/A SER 181.A OG TYR 219.A OH no hydrogen 2.915 N/A CYS 182.A N ASP 185.A OD2 no hydrogen 2.922 N/A CYS 182.A SG GLN 134.A O no hydrogen 3.328 N/A ASP 185.A N CYS 182.A O no hydrogen 2.721 N/A SER 186.A OG HIS 41.A NE2 no hydrogen 2.820 N/A SER 186.A OG SER 205.A O no hydrogen 3.151 N/A GLY 187.A N VAL 204.A O no hydrogen 2.594 N/A GLY 188.A N ASP 185.A O no hydrogen 2.841 N/A HIS 190.A N GLY 202.A O no hydrogen 2.681 N/A HIS 190.A ND1 THR 201.A OG1 no hydrogen 2.840 N/A ALA 191.A N LEU 128.A O no hydrogen 2.553 N/A THR 192.A N TYR 199.A O no hydrogen 2.790 N/A THR 192.A OG1 SER 127.A OG no hydrogen 2.737 N/A THR 192.A OG1 THR 201.A OG1 no hydrogen 2.789 N/A TYR 194.A N THR 197.A O no hydrogen 3.051 N/A THR 197.A N TYR 194.A O no hydrogen 3.085 N/A TYR 199.A N THR 192.A O no hydrogen 2.967 N/A LEU 200.A N CYS 110.A O no hydrogen 3.049 N/A THR 201.A N HIS 190.A O no hydrogen 3.003 N/A THR 201.A OG1 HIS 190.A ND1 no hydrogen 2.840 N/A THR 201.A OG1 HIS 190.A O no hydrogen 3.321 N/A THR 201.A OG1 THR 192.A OG1 no hydrogen 2.789 N/A GLY 202.A N HIS 190.A O no hydrogen 3.013 N/A ILE 203.A N THR 220.A O no hydrogen 3.282 N/A VAL 204.A N GLY 188.A O no hydrogen 2.845 N/A SER 205.A N VAL 218.A O no hydrogen 3.393 N/A SER 205.A OG ASP 90.A OD2 no hydrogen 2.424 N/A CYS 210.A N ASP 137.A OD2 no hydrogen 3.041 N/A CYS 210.A SG SER 181.A O no hydrogen 3.086 N/A THR 212.A OG1 GLN 208.A O no hydrogen 2.797 N/A GLY 214.A N SER 175.A O no hydrogen 2.760 N/A GLY 217.A N ALA 172.A O no hydrogen 2.857 N/A TYR 219.A N PHE 170.A O no hydrogen 3.008 N/A TYR 219.A OH SER 181.A OG no hydrogen 2.915 N/A THR 220.A N ILE 203.A O no hydrogen 2.870 N/A THR 220.A OG1 ASP 90.A O no hydrogen 2.666 N/A ARG 221.A N TYR 168.A O no hydrogen 2.836 N/A ARG 221.A NE GLU 167.A O no hydrogen 2.888 N/A ARG 221.A NH2 GLU 167.A O no hydrogen 3.547 N/A VAL 222.A N THR 201.A O no hydrogen 3.112 N/A GLN 224.A N ARG 221.A O no hydrogen 3.129 N/A GLN 224.A NE2 SER 223.A OG no hydrogen 2.566 N/A GLN 224.A NE2 GLU 118A.A OE2 no hydrogen 2.989 N/A TYR 225.A N VAL 222.A O no hydrogen 2.686 N/A TYR 225.A OH HIS 89.A ND1 no hydrogen 2.410 N/A LEU 229.A N TYR 225.A O no hydrogen 2.791 N/A GLN 230.A N ILE 226.A O no hydrogen 2.726 N/A LYS 231.A N GLU 227.A O no hydrogen 2.830 N/A LEU 232.A N TRP 228.A O no hydrogen 3.136 N/A MET 233.A N LEU 229.A O no hydrogen 2.881 N/A ARG 234.A N GLN 230.A O no hydrogen 3.086 N/A ARG 234.A N LYS 231.A O no hydrogen 3.286 N/A SER 235.A N LEU 232.A O no hydrogen 3.039 N/A SER 235.A OG LYS 231.A O no hydrogen 2.647 N/A LEU 243.A N VAL 76.A O no hydrogen 3.093 N/A ARG 244.A NH2 SER 80.A O no hydrogen 2.507 N/A ALA 245.A N ILE 78.A O no hydrogen 3.122 N/A PHE 247.A N SER 80.A OG no hydrogen 2.995 N/A GLU 118A.A N ARG 114.A O no hydrogen 2.892 N/A GLN 161A.A N ASP 157.A O no hydrogen 3.035 N/A GLN 161A.A NE2 ASP 157.A OD1 no hydrogen 3.313 N/A GLN 161A.A NE2 ASP 157.A OD2 no hydrogen 2.723 N/A GLY 173A.A N PRO 151.A O no hydrogen 2.986 N/A SER 178A.A N ASP 176.A OD1 no hydrogen 2.853 N/A SER 178A.A OG ASP 176.A OD1 no hydrogen 2.465 N/A SER 178A.A OG ASP 176.A OD2 no hydrogen 3.439 N/A ALA 211A.A N ASP 180.A OD2 no hydrogen 3.283 N/A ILE 46B.A N PHE 43.A O no hydrogen 3.146 N/A ARG 119B.A N THR 115.A O no hydrogen 2.849 N/A SER 162B.A N LEU 159.A O no hydrogen 3.121 N/A SER 162B.A OG GLY 214.A O no hydrogen 3.197 N/A THR 120C.A N PHE 116.A O no hydrogen 2.826 N/A ASN 48D.A ND2 ASN 21.A OD1 no hydrogen 3.146 N/A LEU 121D.A N PHE 116.A O no hydrogen 3.073 N/A ALA 122E.A N SER 117.A O no hydrogen 2.847 N/A PHE 123F.A N THR 120C.A O no hydrogen 3.343 N/A VAL 124G.A N LEU 121D.A O no hydrogen 2.647 N/A