Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8kht_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 28.A OE1 no hydrogen 3.159 N/A THR 2.A N GLU 28.A OE1 no hydrogen 3.096 N/A LEU 3.A N GLU 28.A OE1 no hydrogen 2.855 N/A LYS 6.A N GLN 13.A O no hydrogen 2.680 N/A GLY 9.A N ASN 36.A OD1 no hydrogen 2.932 N/A GLY 11.A N LEU 38.A O no hydrogen 2.806 N/A ALA 12.A N GLY 9.A O no hydrogen 2.987 N/A GLN 13.A N LYS 6.A O no hydrogen 2.996 N/A VAL 14.A N VAL 40.A O no hydrogen 2.759 N/A THR 15.A N LYS 4.A O no hydrogen 3.011 N/A THR 15.A OG1 LYS 4.A O no hydrogen 3.142 N/A ASN 20.A ND2 ASP 17.A O no hydrogen 3.338 N/A THR 25.A OG1 ASP 27.A OD1 no hydrogen 3.550 N/A THR 26.A OG1 ILE 57.A O no hydrogen 2.423 N/A ASP 27.A N THR 25.A OG1 no hydrogen 3.343 N/A ILE 29.A N THR 25.A O no hydrogen 3.223 N/A ARG 30.A N THR 26.A O no hydrogen 2.866 N/A ARG 30.A NE ILE 58.A O no hydrogen 2.928 N/A ARG 30.A NH2 ILE 58.A O no hydrogen 3.287 N/A ASP 31.A N ASP 27.A O no hydrogen 3.083 N/A ILE 32.A N GLU 28.A O no hydrogen 3.298 N/A VAL 33.A N ILE 29.A O no hydrogen 3.170 N/A TYR 34.A N ARG 30.A O no hydrogen 2.804 N/A TYR 34.A OH ASP 275.A OD2 no hydrogen 2.587 N/A THR 35.A N ASP 31.A O no hydrogen 2.979 N/A THR 35.A OG1 ASP 31.A O no hydrogen 2.647 N/A ASN 36.A N ILE 32.A O no hydrogen 3.036 N/A ASN 36.A ND2 ILE 32.A O no hydrogen 3.022 N/A LYS 37.A N VAL 33.A O no hydrogen 2.672 N/A LYS 37.A NZ GLN 194.A OE1 no hydrogen 2.411 N/A LEU 38.A N ASN 36.A O no hydrogen 2.739 N/A VAL 39.A N LEU 251.A O no hydrogen 2.964 N/A VAL 40.A N ALA 12.A O no hydrogen 2.802 N/A LEU 41.A N ILE 249.A O no hydrogen 2.736 N/A LYS 42.A N VAL 14.A O no hydrogen 2.898 N/A LYS 42.A NZ GLN 13.A OE1 no hydrogen 3.419 N/A LYS 42.A NZ ASP 248.A OD2 no hydrogen 2.666 N/A ASP 43.A N ASP 248.A OD1 no hydrogen 2.685 N/A SER 47.A N GLU 50.A OE1 no hydrogen 2.710 N/A GLU 50.A N SER 47.A OG no hydrogen 3.144 N/A PHE 51.A N SER 47.A O no hydrogen 2.860 N/A ILE 52.A N PRO 48.A O no hydrogen 3.264 N/A LYS 53.A N ARG 49.A O no hydrogen 3.168 N/A LEU 54.A N GLU 50.A O no hydrogen 2.910 N/A GLY 55.A N PHE 51.A O no hydrogen 2.808 N/A ARG 56.A N ILE 52.A O no hydrogen 2.769 N/A ARG 56.A NH2 GLU 76.A OE2 no hydrogen 3.290 N/A ILE 57.A N LYS 53.A O no hydrogen 3.080 N/A ILE 58.A N LEU 54.A O no hydrogen 3.049 N/A GLY 59.A N GLY 55.A O no hydrogen 2.916 N/A GLN 60.A N LEU 274.A O no hydrogen 3.216 N/A VAL 62.A N THR 272.A O no hydrogen 2.868 N/A TYR 65.A N TYR 99.A OH no hydrogen 2.824 N/A MET 68.A N GLU 66.A OE2 no hydrogen 3.235 N/A TYR 69.A N GLU 66.A O no hydrogen 3.270 N/A HIS 70.A N PRO 67.A O no hydrogen 2.861 N/A HIS 70.A NE2 TYR 64.A O no hydrogen 2.705 N/A HIS 71.A N ILE 77.A O no hydrogen 2.803 N/A HIS 74.A N HIS 71.A O no hydrogen 3.196 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.763 N/A ILE 77.A N HIS 74.A O no hydrogen 3.190 N/A PHE 78.A N ARG 270.A O no hydrogen 2.977 N/A VAL 79.A N TYR 69.A O no hydrogen 2.794 N/A SER 80.A N.A THR 268.A O no hydrogen 3.131 N/A SER 80.A N.B THR 268.A O no hydrogen 3.125 N/A SER 80.A OG.A VAL 88.A O no hydrogen 3.490 N/A SER 80.A OG.A THR 91.A OG1 no hydrogen 2.975 N/A SER 80.A OG.B THR 91.A OG1 no hydrogen 2.678 N/A SER 81.A N VAL 88.A O no hydrogen 3.312 N/A SER 81.A OG LEU 266.A O no hydrogen 3.330 N/A SER 81.A OG THR 267.A OG1 no hydrogen 2.784 N/A THR 82.A N LEU 266.A O no hydrogen 2.925 N/A THR 82.A OG1 GLU 83.A OE2 no hydrogen 3.250 N/A THR 82.A OG1 LEU 266.A O no hydrogen 3.309 N/A GLU 83.A N SER 81.A OG no hydrogen 2.769 N/A GLU 84.A OE2 GLU 83.A O no hydrogen 3.414 N/A GLN 86.A N GLU 83.A O no hydrogen 3.046 N/A VAL 88.A N VAL 79.A O no hydrogen 2.950 N/A LYS 90.A NZ HIS 263.A O no hydrogen 3.260 N/A THR 91.A OG1 SER 80.A OG.A no hydrogen 2.975 N/A THR 91.A OG1 SER 80.A OG.B no hydrogen 2.678 N/A HIS 96.A N HIS 259.A O no hydrogen 2.901 N/A HIS 96.A ND1 PHE 94.A O no hydrogen 2.720 N/A ASP 98.A N ASN 254.A OD1 no hydrogen 2.947 N/A MET 100.A N ILE 97.A O no hydrogen 3.039 N/A MET 102.A N TYR 99.A O no hydrogen 3.192 N/A ALA 107.A N MET 273.A O no hydrogen 2.783 N/A PHE 108.A N MET 273.A O no hydrogen 3.149 N/A SER 109.A N TRP 252.A O no hydrogen 3.182 N/A SER 109.A OG ASP 98.A OD2 no hydrogen 2.557 N/A MET 110.A N LEU 271.A O no hydrogen 2.893 N/A VAL 111.A N ILE 250.A O no hydrogen 2.816 N/A LEU 112.A N TYR 269.A O no hydrogen 2.826 N/A LEU 114.A N THR 267.A O no hydrogen 2.740 N/A ALA 115.A N THR 267.A O no hydrogen 3.182 N/A THR 123.A N GLN 242.A O no hydrogen 2.947 N/A TYR 124.A N ARG 260.A O no hydrogen 2.833 N/A PHE 125.A N HIS 240.A O no hydrogen 2.812 N/A ILE 126.A N MET 258.A O no hydrogen 2.763 N/A LEU 128.A N VAL 256.A O no hydrogen 2.863 N/A ARG 130.A N ASP 127.A OD1 no hydrogen 3.096 N/A ARG 130.A NH1 GLN 133.A OE1 no hydrogen 2.884 N/A VAL 131.A N ASP 127.A O no hydrogen 2.936 N/A TRP 132.A N LEU 128.A O no hydrogen 3.112 N/A TRP 132.A NE1 GLU 195.A OE1 no hydrogen 2.940 N/A GLN 133.A N ALA 129.A O no hydrogen 2.950 N/A SER 134.A N ARG 130.A O no hydrogen 3.048 N/A SER 134.A OG VAL 131.A O no hydrogen 2.877 N/A LEU 135.A N TRP 132.A O no hydrogen 3.104 N/A ARG 140.A N ALA 137.A O no hydrogen 2.827 N/A ARG 140.A NH1 TRP 132.A O no hydrogen 2.829 N/A ASP 141.A N ALA 137.A O no hydrogen 2.705 N/A ALA 143.A N ARG 140.A O no hydrogen 2.990 N/A ARG 144.A NH1 GLU 195.A OE1 no hydrogen 3.535 N/A ARG 144.A NH1 GLU 195.A OE2 no hydrogen 2.737 N/A ARG 144.A NH2 GLU 195.A OE1 no hydrogen 2.912 N/A ARG 144.A NH2 GLU 195.A OE2 no hydrogen 3.569 N/A GLY 145.A N ALA 284.A O no hydrogen 2.795 N/A THR 146.A N ALA 143.A O no hydrogen 3.313 N/A THR 146.A OG1 ALA 143.A O no hydrogen 2.690 N/A THR 146.A OG1 THR 185.A OG1 no hydrogen 2.786 N/A VAL 147.A N GLU 208.A O no hydrogen 2.738 N/A SER 148.A N TRP 183.A O no hydrogen 2.746 N/A SER 148.A OG THR 185.A OG1 no hydrogen 2.747 N/A THR 149.A N LYS 206.A O no hydrogen 3.070 N/A HIS 150.A N ILE 181.A O no hydrogen 2.724 N/A HIS 150.A ND1 THR 204.A OG1 no hydrogen 2.936 N/A ASP 151.A N GLY 203.A O no hydrogen 2.776 N/A ARG 153.A N ASP 151.A OD1 no hydrogen 2.976 N/A ARG 153.A NE ASP 151.A OD1 no hydrogen 2.872 N/A ARG 153.A NE ASP 151.A OD2 no hydrogen 3.325 N/A ARG 153.A NH1 ASN 175.A OD1 no hydrogen 2.799 N/A ARG 153.A NH2 ASP 151.A OD2 no hydrogen 2.718 N/A HIS 155.A N PRO 152.A O no hydrogen 2.846 N/A ILE 156.A N ARG 153.A O no hydrogen 3.421 N/A ARG 159.A N ASP 162.A OD2 no hydrogen 2.947 N/A ARG 159.A NE ASP 162.A OD2 no hydrogen 3.072 N/A ARG 159.A NH1 GLU 66.A OE1 no hydrogen 3.119 N/A ARG 159.A NH1 GLU 173.A OE2 no hydrogen 3.539 N/A ARG 159.A NH2 ASP 162.A OD1 no hydrogen 3.033 N/A ARG 159.A NH2 GLU 173.A OE1 no hydrogen 3.497 N/A ARG 159.A NH2 GLU 173.A OE2 no hydrogen 3.054 N/A ASP 162.A N ARG 159.A O no hydrogen 2.886 N/A VAL 163.A N PRO 160.A O no hydrogen 3.276 N/A ARG 165.A N ASP 162.A O no hydrogen 3.022 N/A ARG 165.A NH1 ASP 162.A OD1 no hydrogen 3.074 N/A ARG 165.A NH1 GLU 173.A OE1 no hydrogen 2.774 N/A ARG 165.A NH2 GLU 173.A OE1 no hydrogen 3.114 N/A GLU 169.A N PRO 166.A O no hydrogen 2.770 N/A VAL 170.A N PRO 166.A O no hydrogen 3.333 N/A TRP 171.A N ILE 167.A O no hydrogen 2.879 N/A ASP 172.A N GLY 168.A O no hydrogen 2.918 N/A GLU 173.A N GLU 169.A O no hydrogen 3.086 N/A ILE 174.A N VAL 170.A O no hydrogen 2.945 N/A ASN 175.A N TRP 171.A O no hydrogen 2.900 N/A ARG 176.A N ASP 172.A O no hydrogen 3.043 N/A THR 177.A N GLU 173.A O no hydrogen 2.937 N/A THR 177.A N ILE 174.A O no hydrogen 2.971 N/A THR 177.A OG1 GLU 173.A O no hydrogen 2.754 N/A THR 178.A N ILE 174.A O no hydrogen 2.765 N/A ILE 181.A N HIS 150.A O no hydrogen 2.887 N/A LYS 182.A NZ GLU 208.A OE2 no hydrogen 2.957 N/A TRP 183.A N SER 148.A O no hydrogen 3.067 N/A TRP 183.A NE1 MET 100.A O no hydrogen 2.957 N/A THR 185.A N THR 146.A O no hydrogen 2.851 N/A THR 185.A OG1 THR 146.A OG1 no hydrogen 2.786 N/A THR 185.A OG1 SER 148.A OG no hydrogen 2.747 N/A ILE 187.A N ILE 196.A O no hydrogen 3.006 N/A ARG 188.A N TYR 282.A O no hydrogen 2.780 N/A HIS 189.A N GLN 194.A O no hydrogen 2.798 N/A HIS 189.A NE2 ASP 253.A OD2 no hydrogen 2.875 N/A LYS 191.A N HIS 189.A ND1 no hydrogen 2.967 N/A THR 192.A N HIS 189.A ND1 no hydrogen 3.180 N/A GLY 193.A N HIS 189.A O no hydrogen 2.830 N/A GLN 194.A N THR 192.A OG1 no hydrogen 3.155 N/A ILE 196.A N ILE 187.A O no hydrogen 2.761 N/A TYR 198.A N THR 185.A O no hydrogen 2.941 N/A ILE 199.A N LEU 197.A O no hydrogen 3.042 N/A CYS 200.A N THR 204.A OG1 no hydrogen 2.808 N/A CYS 200.A SG TRP 95.A O no hydrogen 3.211 N/A ALA 201.A N GLN 229.A OE1 no hydrogen 2.792 N/A THR 202.A OG1 TRP 95.A O no hydrogen 3.110 N/A GLY 203.A N CYS 200.A O no hydrogen 3.240 N/A THR 204.A N CYS 200.A O no hydrogen 2.937 N/A THR 204.A OG1 HIS 150.A ND1 no hydrogen 2.936 N/A THR 204.A OG1 CYS 200.A O no hydrogen 3.285 N/A THR 205.A N THR 149.A O no hydrogen 2.852 N/A THR 205.A OG1 THR 149.A O no hydrogen 3.323 N/A GLU 208.A N VAL 147.A O no hydrogen 2.923 N/A ASP 209.A N ASN 213.A O no hydrogen 2.981 N/A ASP 211.A N ASP 209.A OD1 no hydrogen 2.841 N/A GLY 212.A N ASP 209.A O no hydrogen 3.233 N/A ASN 213.A N ASP 209.A OD1 no hydrogen 2.779 N/A ASN 213.A ND2 ASP 209.A OD1 no hydrogen 3.177 N/A ASN 213.A ND2 ASP 209.A OD2 no hydrogen 2.912 N/A VAL 215.A N ILE 207.A O no hydrogen 2.939 N/A GLU 218.A N ASP 216.A OD1 no hydrogen 3.376 N/A VAL 219.A N ASP 216.A O no hydrogen 2.788 N/A GLN 221.A N PRO 217.A O no hydrogen 3.346 N/A GLU 222.A N GLU 218.A O no hydrogen 2.991 N/A LEU 223.A N VAL 219.A O no hydrogen 2.934 N/A MET 224.A N LEU 220.A O no hydrogen 2.946 N/A ALA 225.A N GLN 221.A O no hydrogen 2.992 N/A ALA 226.A N GLU 222.A O no hydrogen 3.076 N/A ALA 226.A N LEU 223.A O no hydrogen 3.042 N/A THR 227.A N LEU 223.A O no hydrogen 3.186 N/A THR 227.A N MET 224.A O no hydrogen 3.159 N/A THR 227.A OG1 MET 224.A O no hydrogen 2.708 N/A GLY 228.A N ALA 225.A O no hydrogen 3.434 N/A GLN 229.A N THR 227.A OG1 no hydrogen 3.007 N/A GLN 229.A NE2 ILE 199.A O no hydrogen 3.074 N/A ASP 231.A N GLY 228.A O no hydrogen 3.359 N/A GLU 233.A N ASP 231.A OD1 no hydrogen 2.935 N/A TYR 234.A N ASP 231.A O no hydrogen 3.076 N/A GLN 235.A N ASP 231.A OD2 no hydrogen 2.772 N/A PHE 238.A N SER 236.A OG no hydrogen 3.244 N/A ILE 239.A N SER 236.A O no hydrogen 3.100 N/A HIS 240.A N PHE 125.A O no hydrogen 2.745 N/A HIS 240.A NE2 GLN 242.A OE1 no hydrogen 2.876 N/A GLN 242.A N THR 123.A O no hydrogen 2.910 N/A TYR 244.A N ARG 121.A O no hydrogen 2.849 N/A GLY 247.A N PRO 113.A O no hydrogen 3.204 N/A ASP 248.A N GLN 245.A O no hydrogen 2.873 N/A ILE 249.A N LEU 41.A O no hydrogen 3.025 N/A ILE 250.A N VAL 111.A O no hydrogen 2.813 N/A LEU 251.A N VAL 39.A O no hydrogen 2.943 N/A TRP 252.A N SER 109.A O no hydrogen 2.998 N/A ASP 253.A N LYS 37.A O no hydrogen 2.846 N/A ASN 254.A N ALA 107.A O no hydrogen 3.033 N/A ASN 254.A ND2 ASP 98.A O no hydrogen 2.905 N/A ASN 254.A ND2 PHE 106.A O no hydrogen 3.090 N/A ARG 255.A N ASP 253.A OD1 no hydrogen 2.957 N/A ARG 255.A NE LYS 278.A O no hydrogen 3.410 N/A ARG 255.A NE PRO 280.A O no hydrogen 2.801 N/A ARG 255.A NH1 ASP 275.A OD2 no hydrogen 2.935 N/A ARG 255.A NH2 ASP 275.A OD1 no hydrogen 3.085 N/A ARG 255.A NH2 LYS 278.A O no hydrogen 2.963 N/A MET 258.A N ILE 126.A O no hydrogen 2.889 N/A HIS 259.A N HIS 96.A O no hydrogen 2.936 N/A ARG 260.A N TYR 124.A O no hydrogen 3.083 N/A ALA 261.A N GLY 92.A O no hydrogen 2.813 N/A LYS 262.A N GLY 122.A O no hydrogen 2.826 N/A LYS 262.A NZ ASP 120.A O no hydrogen 3.194 N/A LYS 262.A NZ HIS 243.A NE2 no hydrogen 3.027 N/A HIS 263.A NE2 ASP 120.A OD2 no hydrogen 2.770 N/A THR 265.A OG1 GLU 83.A OE2 no hydrogen 2.832 N/A LEU 266.A N THR 82.A OG1 no hydrogen 2.981 N/A THR 267.A N ALA 115.A O no hydrogen 2.850 N/A THR 267.A OG1 SER 81.A OG no hydrogen 2.784 N/A THR 267.A OG1 LEU 266.A O no hydrogen 2.796 N/A THR 268.A N SER 80.A O.A no hydrogen 2.860 N/A THR 268.A N SER 80.A O.B no hydrogen 2.827 N/A TYR 269.A N LEU 112.A O no hydrogen 2.808 N/A LEU 271.A N MET 110.A O no hydrogen 2.916 N/A THR 272.A OG1 VAL 62.A O no hydrogen 3.075 N/A MET 273.A N PHE 108.A O no hydrogen 2.926 N/A LEU 274.A N GLN 60.A O no hydrogen 2.944 N/A LEU 277.A N ASP 275.A OD1 no hydrogen 2.888 N/A THR 279.A OG1 PRO 105.A O no hydrogen 2.454 N/A TYR 282.A N ARG 188.A O no hydrogen 3.164 N/A ALA 284.A N VAL 186.A O no hydrogen 2.906 N/A