Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wyy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N TYR 10.A O no hydrogen 2.812 N/A VAL 5.A N ARG 8.A O no hydrogen 2.972 N/A LYS 6.A N GLU 77.A OE2 no hydrogen 2.726 N/A TYR 10.A N ILE 3.A O no hydrogen 2.651 N/A SER 11.A N LEU 28.A O no hydrogen 2.804 N/A ILE 12.A N GLU 1.A O no hydrogen 3.243 N/A LEU 13.A N GLN 26.A O no hydrogen 2.847 N/A GLN 15.A NE2 GLY 17.A O no hydrogen 3.202 N/A ILE 16.A N VAL 24.A O no hydrogen 2.768 N/A GLY 17.A N VAL 24.A O no hydrogen 3.350 N/A SER 18.A N GLN 157.A O no hydrogen 3.143 N/A GLY 19.A N SER 22.A O no hydrogen 2.849 N/A SER 22.A OG TYR 53.A OH no hydrogen 3.068 N/A LYS 23.A N TYR 39.A O no hydrogen 2.728 N/A VAL 24.A N GLY 17.A O no hydrogen 2.969 N/A PHE 25.A N ILE 37.A O no hydrogen 2.845 N/A GLN 26.A N LYS 14.A O no hydrogen 3.026 N/A VAL 27.A N TYR 35.A O no hydrogen 3.058 N/A LEU 28.A N SER 11.A O no hydrogen 2.865 N/A ASN 29.A N GLN 33.A O no hydrogen 3.041 N/A ASN 29.A ND2 GLN 33.A OE1 no hydrogen 2.986 N/A LYS 32.A N ASN 29.A O no hydrogen 3.160 N/A GLN 33.A N ASN 29.A OD1 no hydrogen 2.716 N/A TYR 35.A N VAL 27.A O no hydrogen 2.885 N/A ALA 36.A N MET 87.A O no hydrogen 2.805 N/A ILE 37.A N PHE 25.A O no hydrogen 2.992 N/A LYS 38.A N MET 85.A O no hydrogen 2.872 N/A TYR 39.A N LYS 23.A O no hydrogen 2.708 N/A VAL 40.A N ILE 83.A O no hydrogen 2.884 N/A ASN 41.A N SER 21.A O no hydrogen 3.031 N/A LEU 42.A N GLN 81.A O no hydrogen 2.589 N/A THR 49.A N ASP 46.A O no hydrogen 2.944 N/A LEU 50.A N ASP 46.A O no hydrogen 2.950 N/A SER 52.A OG THR 49.A O no hydrogen 2.619 N/A ARG 54.A N LEU 50.A O no hydrogen 3.352 N/A ASN 55.A N ASP 51.A O no hydrogen 2.976 N/A GLU 56.A N SER 52.A O no hydrogen 2.784 N/A ILE 57.A N TYR 53.A O no hydrogen 2.983 N/A ALA 58.A N ARG 54.A O no hydrogen 3.057 N/A TYR 59.A N ASN 55.A O no hydrogen 2.857 N/A LEU 60.A N GLU 56.A O no hydrogen 2.875 N/A ASN 61.A N ILE 57.A O no hydrogen 2.855 N/A ASN 61.A ND2 ILE 57.A O no hydrogen 3.565 N/A LYS 62.A N ALA 58.A O no hydrogen 2.929 N/A LEU 63.A N TYR 59.A O no hydrogen 3.097 N/A GLN 64.A N ASN 61.A O no hydrogen 3.015 N/A GLN 64.A NE2 LEU 60.A O no hydrogen 3.246 N/A GLN 64.A NE2 ILE 71.A O no hydrogen 3.094 N/A HIS 66.A N LEU 63.A O no hydrogen 3.399 N/A HIS 66.A ND1 LYS 62.A O no hydrogen 3.140 N/A SER 67.A OG GLU 118.A OE2 no hydrogen 3.366 N/A LYS 69.A N SER 67.A OG no hydrogen 3.000 N/A LYS 69.A NZ ASP 68.A OD2 no hydrogen 3.360 N/A ILE 71.A N LEU 147.A O no hydrogen 2.813 N/A ARG 72.A N GLU 88.A OE1 no hydrogen 3.111 N/A ARG 72.A NH1 GLN 64.A O no hydrogen 3.384 N/A ARG 72.A NH1 ILE 70.A O no hydrogen 3.091 N/A ARG 72.A NH2 GLN 64.A O no hydrogen 3.282 N/A LEU 73.A N GLN 64.A OE1 no hydrogen 3.165 N/A TYR 74.A N VAL 86.A O no hydrogen 2.724 N/A ASP 75.A N VAL 86.A O no hydrogen 3.484 N/A GLU 77.A N TYR 84.A O no hydrogen 2.792 N/A THR 79.A N TYR 82.A O no hydrogen 3.088 N/A THR 79.A OG1 GLN 81.A OE1 no hydrogen 3.285 N/A GLN 81.A N THR 79.A OG1 no hydrogen 3.014 N/A TYR 82.A N THR 79.A OG1 no hydrogen 3.276 N/A TYR 82.A OH GLU 77.A OE1 no hydrogen 2.622 N/A ILE 83.A N VAL 40.A O no hydrogen 2.946 N/A TYR 84.A N GLU 77.A O no hydrogen 2.759 N/A MET 85.A N LYS 38.A O no hydrogen 2.891 N/A VAL 86.A N ASP 75.A O no hydrogen 2.741 N/A MET 87.A N ALA 36.A O no hydrogen 2.652 N/A GLU 88.A N ARG 72.A O no hydrogen 3.325 N/A CYS 89.A SG GLY 90.A O no hydrogen 3.688 N/A ASN 91.A N ILE 140.A O no hydrogen 2.851 N/A ASN 91.A ND2 ILE 140.A O no hydrogen 3.512 N/A LEU 94.A N PHE 138.A O no hydrogen 2.828 N/A SER 96.A N ASP 93.A OD1 no hydrogen 3.028 N/A SER 96.A OG ASP 93.A OD1 no hydrogen 2.861 N/A SER 96.A OG ASP 93.A OD2 no hydrogen 2.927 N/A TRP 97.A N LEU 94.A O no hydrogen 3.149 N/A LEU 98.A N LEU 94.A O no hydrogen 2.995 N/A LYS 101.A N TRP 97.A O no hydrogen 3.311 N/A GLU 108.A N ASP 105.A OD2 no hydrogen 2.941 N/A ARG 109.A N ASP 105.A O no hydrogen 2.818 N/A ARG 109.A NH1 MET 190.A O no hydrogen 2.904 N/A LYS 110.A N PRO 106.A O no hydrogen 3.106 N/A SER 111.A N TRP 107.A O no hydrogen 3.272 N/A TYR 112.A N GLU 108.A O no hydrogen 3.001 N/A TRP 113.A N ARG 109.A O no hydrogen 2.951 N/A LYS 114.A N LYS 110.A O no hydrogen 2.878 N/A LYS 114.A NZ VAL 254.A O no hydrogen 3.029 N/A ASN 115.A N SER 111.A O no hydrogen 3.195 N/A MET 116.A N TYR 112.A O no hydrogen 2.880 N/A LEU 117.A N TRP 113.A O no hydrogen 2.969 N/A GLU 118.A N LYS 114.A O no hydrogen 2.880 N/A ALA 119.A N ASN 115.A O no hydrogen 2.821 N/A VAL 120.A N MET 116.A O no hydrogen 2.861 N/A HIS 121.A N LEU 117.A O no hydrogen 2.729 N/A THR 122.A N GLU 118.A O no hydrogen 2.846 N/A THR 122.A OG1 GLU 118.A O no hydrogen 2.571 N/A ILE 123.A N ALA 119.A O no hydrogen 3.285 N/A HIS 124.A N VAL 120.A O no hydrogen 2.882 N/A HIS 124.A NE2 ASP 179.A OD2 no hydrogen 2.951 N/A GLN 125.A N HIS 121.A O no hydrogen 2.941 N/A HIS 126.A ND1 THR 122.A O no hydrogen 3.217 N/A GLY 127.A N HIS 124.A O no hydrogen 3.280 N/A ILE 128.A N ILE 123.A O no hydrogen 2.992 N/A SER 131.A OG VAL 129.A O no hydrogen 3.262 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.318 N/A LYS 134.A N ASN 137.A OD1 no hydrogen 2.696 N/A ASN 137.A N LYS 134.A O no hydrogen 3.056 N/A ASN 137.A ND2 ASP 149.A OD2 no hydrogen 3.343 N/A ASN 137.A ND2 GLN 155.A OE1 no hydrogen 3.332 N/A PHE 138.A N PRO 135.A O no hydrogen 3.149 N/A LEU 139.A N LYS 146.A O no hydrogen 2.805 N/A ILE 140.A N ILE 92.A O no hydrogen 2.916 N/A VAL 141.A N MET 144.A O no hydrogen 2.817 N/A LEU 145.A N ASN 115.A OD1 no hydrogen 3.210 N/A LYS 146.A N LEU 139.A O no hydrogen 2.807 N/A LYS 146.A NZ ASP 68.A O no hydrogen 3.314 N/A LYS 146.A NZ GLU 88.A OE1 no hydrogen 3.213 N/A LYS 146.A NZ GLU 88.A OE2 no hydrogen 3.341 N/A LEU 147.A N LYS 69.A O no hydrogen 2.780 N/A ILE 148.A N ASN 137.A O no hydrogen 2.823 N/A PHE 150.A N GLU 56.A OE2 no hydrogen 2.801 N/A ILE 152.A N GLU 56.A OE1 no hydrogen 3.278 N/A ALA 153.A N GLU 56.A OE1 no hydrogen 2.791 N/A GLN 155.A NE2 ASP 149.A OD1 no hydrogen 3.325 N/A GLN 157.A N SER 18.A O no hydrogen 3.235 N/A ASN 162.A N THR 160.A OG1 no hydrogen 3.062 N/A MET 164.A N VAL 161.A O no hydrogen 3.427 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.639 N/A ALA 168.A N PRO 165.A O no hydrogen 2.997 N/A ILE 169.A N PRO 165.A O no hydrogen 3.405 N/A LYS 170.A N PRO 166.A O no hydrogen 2.792 N/A ASP 171.A N ALA 168.A O no hydrogen 3.112 N/A MET 172.A N LYS 170.A O no hydrogen 2.653 N/A LYS 177.A NZ ARG 242.A O no hydrogen 2.552 N/A SER 178.A N SER 175.A O no hydrogen 2.976 N/A SER 178.A OG GLU 167.A OE2 no hydrogen 3.294 N/A SER 178.A OG SER 175.A O no hydrogen 2.890 N/A ASP 179.A N PRO 176.A O no hydrogen 3.150 N/A TRP 181.A N LYS 177.A O no hydrogen 3.213 N/A SER 182.A N SER 178.A O no hydrogen 3.364 N/A SER 182.A OG TYR 163.A O no hydrogen 2.715 N/A LEU 183.A N ASP 179.A O no hydrogen 2.769 N/A GLY 184.A N VAL 180.A O no hydrogen 2.584 N/A CYS 185.A N TRP 181.A O no hydrogen 2.777 N/A CYS 185.A SG ASN 162.A O no hydrogen 4.046 N/A CYS 185.A SG TRP 181.A O no hydrogen 3.356 N/A ILE 186.A N SER 182.A O no hydrogen 3.008 N/A LEU 187.A N LEU 183.A O no hydrogen 2.972 N/A TYR 188.A N GLY 184.A O no hydrogen 2.969 N/A TYR 188.A OH GLU 218.A O no hydrogen 2.427 N/A TYR 189.A N CYS 185.A O no hydrogen 3.232 N/A MET 190.A N ILE 186.A O no hydrogen 3.353 N/A THR 191.A N TYR 188.A O no hydrogen 2.803 N/A THR 191.A OG1 LEU 187.A O no hydrogen 2.840 N/A TYR 192.A N TYR 188.A O no hydrogen 2.688 N/A TYR 192.A OH PRO 220.A O no hydrogen 2.656 N/A THR 195.A N GLN 198.A OE1 no hydrogen 3.379 N/A GLN 198.A N THR 195.A O no hydrogen 3.014 N/A SER 205.A N ASN 202.A OD1 no hydrogen 3.276 N/A LYS 206.A N ASN 202.A O no hydrogen 2.976 N/A LYS 206.A NZ ASN 162.A OD1 no hydrogen 2.797 N/A LYS 206.A NZ PHE 197.A O no hydrogen 3.566 N/A LEU 207.A N GLN 203.A O no hydrogen 2.863 N/A HIS 208.A N ILE 204.A O no hydrogen 3.384 N/A ALA 209.A N SER 205.A O no hydrogen 2.792 N/A ILE 210.A N LYS 206.A O no hydrogen 2.812 N/A ILE 211.A N LEU 207.A O no hydrogen 3.229 N/A ASP 212.A N HIS 208.A O no hydrogen 2.805 N/A ASN 214.A N ASP 212.A OD1 no hydrogen 3.146 N/A ASN 214.A ND2 ASP 212.A OD1 no hydrogen 3.137 N/A HIS 215.A N ASP 212.A O no hydrogen 3.166 N/A GLN 228.A NE2 ASP 221.A OD1 no hydrogen 2.975 N/A ASP 229.A N LYS 225.A O no hydrogen 3.375 N/A VAL 230.A N ASP 226.A O no hydrogen 3.383 N/A LYS 232.A N GLN 228.A O no hydrogen 3.158 N/A LYS 232.A N VAL 230.A O no hydrogen 3.173 N/A CYS 233.A N ASP 229.A O no hydrogen 2.918 N/A CYS 233.A SG ASP 229.A O no hydrogen 3.009 N/A CYS 233.A SG ASP 229.A OD1 no hydrogen 3.750 N/A CYS 233.A SG ASP 229.A OD2 no hydrogen 3.887 N/A CYS 234.A N VAL 230.A O no hydrogen 2.756 N/A CYS 234.A SG VAL 230.A O no hydrogen 3.628 N/A LEU 235.A N LEU 231.A O no hydrogen 2.799 N/A ARG 237.A NE ILE 210.A O no hydrogen 2.744 N/A ARG 237.A NH1 HIS 215.A O no hydrogen 2.707 N/A ARG 237.A NH2 ALA 209.A O no hydrogen 3.067 N/A LYS 240.A N ASP 238.A OD1 no hydrogen 3.167 N/A GLN 241.A N ASP 238.A O no hydrogen 2.748 N/A ARG 242.A N ASP 238.A O no hydrogen 2.743 N/A ARG 242.A NE LYS 236.A O no hydrogen 2.740 N/A ARG 242.A NH1 GLU 167.A OE1 no hydrogen 3.396 N/A ARG 242.A NH1 GLU 167.A OE2 no hydrogen 2.582 N/A ARG 242.A NH1 LYS 177.A O no hydrogen 2.915 N/A ARG 242.A NH2 GLU 167.A OE1 no hydrogen 2.887 N/A ARG 242.A NH2 LYS 236.A O no hydrogen 3.191 N/A ILE 243.A N CYS 233.A O no hydrogen 3.305 N/A GLU 247.A N SER 244.A OG no hydrogen 3.211 N/A LEU 248.A N SER 244.A O no hydrogen 2.940 N/A LEU 249.A N ILE 245.A O no hydrogen 2.769 N/A ALA 250.A N GLU 247.A O no hydrogen 2.967 N/A HIS 251.A N LEU 248.A O no hydrogen 3.292 N/A HIS 251.A NE2 ASP 229.A OD2 no hydrogen 3.374 N/A TYR 253.A N HIS 251.A ND1 no hydrogen 2.853 N/A VAL 254.A N HIS 251.A O no hydrogen 3.103 N/A GLN 255.A N HIS 251.A O no hydrogen 3.007 N/A GLN 255.A NE2 LEU 249.A O no hydrogen 3.462 N/A ILE 256.A N PRO 252.A O no hydrogen 2.814 N/A