Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wyw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ILE 75.A O no hydrogen 2.884 N/A ASP 3.A N TYR 27.A OH no hydrogen 3.062 N/A ARG 4.A NE GLU 79.A OE1 no hydrogen 2.819 N/A ARG 4.A NH1 ARG 4.A O no hydrogen 3.348 N/A ARG 4.A NH2 GLU 79.A OE1 no hydrogen 3.388 N/A ARG 4.A NH2 GLU 79.A OE2 no hydrogen 2.980 N/A LYS 5.A N ASP 3.A OD1 no hydrogen 3.028 N/A LEU 6.A N ASP 3.A O no hydrogen 2.806 N/A LEU 7.A N ARG 4.A O no hydrogen 3.293 N/A THR 8.A N TYR 26.A O no hydrogen 2.937 N/A GLU 10.A N LYS 24.A O no hydrogen 2.949 N/A LEU 14.A N VAL 22.A O no hydrogen 2.674 N/A GLY 17.A N GLY 20.A O no hydrogen 2.862 N/A GLY 20.A N GLY 17.A O no hydrogen 3.388 N/A THR 21.A N ILE 40.A O no hydrogen 2.851 N/A THR 21.A OG1 GLU 13.A OE1 no hydrogen 3.296 N/A VAL 22.A N GLY 15.A O no hydrogen 3.017 N/A LYS 23.A N VAL 38.A O no hydrogen 2.807 N/A GLY 25.A N VAL 36.A O no hydrogen 2.813 N/A TYR 26.A N THR 8.A O no hydrogen 2.900 N/A TYR 26.A OH GLU 10.A OE2 no hydrogen 2.659 N/A TYR 27.A N LYS 34.A O no hydrogen 2.915 N/A GLN 28.A N LEU 6.A O no hydrogen 2.991 N/A MET 29.A N VAL 32.A O no hydrogen 2.883 N/A LYS 34.A N TYR 27.A O no hydrogen 2.856 N/A LYS 34.A NZ GLU 86.A OE2 no hydrogen 3.088 N/A VAL 36.A N GLY 25.A O no hydrogen 2.819 N/A ALA 37.A N MET 85.A O no hydrogen 2.900 N/A VAL 38.A N LYS 23.A O no hydrogen 2.772 N/A LYS 39.A N LEU 83.A O no hydrogen 2.930 N/A LYS 39.A NZ GLU 53.A OE2 no hydrogen 2.974 N/A LYS 39.A NZ GLU 57.A OE1 no hydrogen 2.800 N/A LYS 39.A NZ GLU 57.A OE2 no hydrogen 3.263 N/A ILE 40.A N THR 21.A O no hydrogen 2.715 N/A LEU 41.A N TRP 81.A O no hydrogen 3.127 N/A LYS 42.A N PHE 19.A O no hydrogen 2.860 N/A ALA 45.A N LYS 42.A O no hydrogen 2.792 N/A ASN 46.A N ASN 43.A O no hydrogen 3.046 N/A ALA 49.A N ASP 47.A OD1 no hydrogen 2.911 N/A LYS 51.A N ASP 47.A O no hydrogen 3.109 N/A ASP 52.A N PRO 48.A O no hydrogen 2.768 N/A GLU 53.A N ALA 49.A O no hydrogen 3.063 N/A LEU 54.A N LEU 50.A O no hydrogen 3.036 N/A LEU 55.A N LYS 51.A O no hydrogen 3.111 N/A ALA 56.A N ASP 52.A O no hydrogen 2.941 N/A GLU 57.A N GLU 53.A O no hydrogen 2.793 N/A ALA 58.A N LEU 54.A O no hydrogen 2.887 N/A ASN 59.A N LEU 55.A O no hydrogen 2.987 N/A VAL 60.A N ALA 56.A O no hydrogen 3.082 N/A VAL 60.A N GLU 57.A O no hydrogen 3.212 N/A MET 61.A N GLU 57.A O no hydrogen 3.033 N/A GLN 62.A N ALA 58.A O no hydrogen 2.877 N/A GLN 63.A N VAL 60.A O no hydrogen 3.061 N/A GLN 63.A NE2 ASN 59.A O no hydrogen 2.800 N/A LEU 64.A N MET 61.A O no hydrogen 3.134 N/A ASP 65.A N TYR 121.A OH no hydrogen 2.905 N/A TYR 68.A N ASN 66.A OD1 no hydrogen 2.921 N/A ILE 69.A N ASN 66.A O no hydrogen 3.179 N/A VAL 70.A N ILE 147.A O no hydrogen 2.861 N/A ILE 73.A N VAL 84.A O no hydrogen 2.629 N/A GLY 74.A N VAL 84.A O no hydrogen 3.151 N/A CYS 76.A N MET 82.A O no hydrogen 2.787 N/A CYS 76.A SG LEU 2.A O no hydrogen 3.711 N/A ALA 78.A N SER 80.A O no hydrogen 3.102 N/A SER 80.A OG LEU 41.A O no hydrogen 2.668 N/A MET 82.A N CYS 76.A O no hydrogen 2.768 N/A LEU 83.A N LYS 39.A O no hydrogen 2.839 N/A VAL 84.A N GLY 74.A O no hydrogen 2.643 N/A MET 85.A N ALA 37.A O no hydrogen 2.863 N/A GLU 86.A N ARG 71.A O no hydrogen 2.986 N/A MET 87.A N THR 35.A O no hydrogen 3.112 N/A LEU 90.A N LEU 139.A O no hydrogen 2.936 N/A GLY 91.A N ALA 88.A O no hydrogen 3.319 N/A LEU 93.A N VAL 137.A O no hydrogen 2.714 N/A LYS 95.A NZ GLN 98.A OE1 no hydrogen 2.845 N/A TYR 96.A N PRO 92.A O no hydrogen 3.089 N/A TYR 96.A OH GLN 142.A OE1 no hydrogen 2.371 N/A LEU 97.A N LEU 93.A O no hydrogen 3.043 N/A GLN 98.A N ASN 94.A O no hydrogen 3.033 N/A GLN 98.A NE2 GLY 200.A O no hydrogen 2.839 N/A GLN 99.A N LYS 95.A O no hydrogen 3.294 N/A GLN 99.A N TYR 96.A O no hydrogen 3.177 N/A ASN 100.A N LEU 97.A O no hydrogen 3.180 N/A ASN 100.A ND2 TYR 96.A O no hydrogen 2.934 N/A HIS 102.A NE2 ASN 100.A OD1 no hydrogen 3.147 N/A VAL 103.A N ASN 100.A O no hydrogen 3.164 N/A ASN 107.A ND2 GLN 142.A O no hydrogen 3.053 N/A ILE 108.A N LYS 104.A O no hydrogen 2.997 N/A ILE 109.A N ASP 105.A O no hydrogen 2.812 N/A GLU 110.A N LYS 106.A O no hydrogen 3.106 N/A LEU 111.A N ASN 107.A O no hydrogen 3.072 N/A VAL 112.A N ILE 108.A O no hydrogen 2.926 N/A HIS 113.A N ILE 109.A O no hydrogen 2.871 N/A HIS 113.A NE2 GLU 254.A OE2 no hydrogen 2.693 N/A GLN 114.A N GLU 110.A O no hydrogen 3.037 N/A GLN 114.A NE2 HIS 143.A O no hydrogen 2.932 N/A VAL 115.A N LEU 111.A O no hydrogen 3.096 N/A SER 116.A N VAL 112.A O no hydrogen 2.941 N/A SER 116.A OG HIS 113.A O no hydrogen 2.710 N/A MET 117.A N HIS 113.A O no hydrogen 2.997 N/A GLY 118.A N GLN 114.A O no hydrogen 2.962 N/A MET 119.A N VAL 115.A O no hydrogen 2.796 N/A LYS 120.A N SER 116.A O no hydrogen 2.754 N/A TYR 121.A N MET 117.A O no hydrogen 3.012 N/A LEU 122.A N GLY 118.A O no hydrogen 2.983 N/A GLU 123.A N MET 119.A O no hydrogen 2.774 N/A GLU 124.A N LYS 120.A O no hydrogen 2.832 N/A SER 125.A N TYR 121.A O no hydrogen 2.879 N/A SER 125.A OG TYR 121.A O no hydrogen 2.754 N/A ASN 126.A N GLU 123.A O no hydrogen 2.972 N/A PHE 127.A N LEU 122.A O no hydrogen 3.012 N/A VAL 128.A N LYS 154.A O no hydrogen 2.953 N/A HIS 129.A N ASP 185.A OD2 no hydrogen 2.746 N/A HIS 129.A NE2 SER 148.A O no hydrogen 2.908 N/A ARG 130.A N ASP 185.A OD1 no hydrogen 3.097 N/A ARG 130.A NH1 LEU 152.A O no hydrogen 2.776 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.031 N/A ALA 134.A N GLU 195.A OE1 no hydrogen 2.902 N/A ASN 136.A N ALA 133.A O no hydrogen 2.895 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.680 N/A VAL 137.A N ALA 134.A O no hydrogen 3.200 N/A LEU 138.A N LYS 146.A O no hydrogen 2.653 N/A LEU 139.A N GLY 91.A O no hydrogen 3.004 N/A VAL 140.A N TYR 144.A O no hydrogen 2.767 N/A GLN 142.A NE2 ASN 107.A OD1 no hydrogen 3.115 N/A HIS 143.A N THR 141.A OG1 no hydrogen 3.038 N/A HIS 143.A ND1 GLU 110.A OE1 no hydrogen 2.728 N/A TYR 144.A N THR 141.A O no hydrogen 3.246 N/A TYR 144.A OH PRO 67.A O no hydrogen 2.599 N/A ALA 145.A N GLN 114.A OE1 no hydrogen 2.885 N/A LYS 146.A N LEU 138.A O no hydrogen 2.754 N/A LYS 146.A NZ PRO 67.A O no hydrogen 3.034 N/A LYS 146.A NZ ILE 69.A O no hydrogen 3.335 N/A LYS 146.A NZ TYR 144.A OH no hydrogen 3.412 N/A ILE 147.A N TYR 68.A O no hydrogen 2.881 N/A SER 148.A N ASN 136.A O no hydrogen 2.923 N/A SER 153.A N PHE 150.A O no hydrogen 3.103 N/A SER 153.A OG HIS 129.A O no hydrogen 2.955 N/A LYS 154.A N VAL 128.A O no hydrogen 3.091 N/A LEU 156.A N ASN 126.A O no hydrogen 2.780 N/A ARG 157.A NE ASP 159.A OD1 no hydrogen 2.925 N/A ARG 157.A NH2 ASP 159.A OD1 no hydrogen 3.102 N/A ARG 157.A NH2 ASP 159.A OD2 no hydrogen 2.852 N/A GLU 160.A N ARG 157.A O no hydrogen 3.405 N/A TYR 163.A N PHE 180.A O no hydrogen 2.655 N/A ALA 165.A N TYR 178.A O no hydrogen 2.926 N/A LYS 168.A NZ MET 207.A O no hydrogen 2.875 N/A TRP 169.A N PRO 166.A O no hydrogen 2.918 N/A TRP 169.A NE1 GLU 195.A OE1 no hydrogen 2.887 N/A TYR 170.A N VAL 167.A O no hydrogen 2.954 N/A TYR 170.A OH ARG 130.A O no hydrogen 2.700 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.812 N/A CYS 174.A N ALA 171.A O no hydrogen 3.007 N/A CYS 174.A SG LYS 179.A O no hydrogen 3.603 N/A ILE 175.A N ALA 171.A O no hydrogen 3.225 N/A ASN 176.A N PRO 172.A O no hydrogen 2.705 N/A ASN 176.A ND2 GLU 217.A OE2 no hydrogen 3.219 N/A TYR 177.A N GLU 173.A O no hydrogen 2.924 N/A TYR 178.A N CYS 174.A O no hydrogen 2.985 N/A LYS 179.A N GLU 173.A O no hydrogen 3.333 N/A PHE 180.A N TYR 163.A O no hydrogen 2.746 N/A SER 181.A N SER 184.A OG no hydrogen 2.948 N/A LYS 183.A NZ VAL 244.A O no hydrogen 2.963 N/A LYS 183.A NZ ARG 247.A O no hydrogen 2.871 N/A SER 184.A N SER 181.A OG no hydrogen 3.158 N/A SER 184.A OG SER 181.A O no hydrogen 2.769 N/A ASP 185.A N SER 181.A O no hydrogen 3.093 N/A VAL 186.A N SER 182.A O no hydrogen 2.981 N/A TRP 187.A N LYS 183.A O no hydrogen 3.209 N/A SER 188.A N SER 184.A O no hydrogen 3.174 N/A SER 188.A OG TRP 169.A O no hydrogen 2.699 N/A SER 188.A OG SER 184.A O no hydrogen 3.242 N/A PHE 189.A N ASP 185.A O no hydrogen 2.792 N/A GLY 190.A N VAL 186.A O no hydrogen 3.040 N/A VAL 191.A N TRP 187.A O no hydrogen 3.335 N/A LEU 192.A N SER 188.A O no hydrogen 2.778 N/A MET 193.A N PHE 189.A O no hydrogen 2.755 N/A TRP 194.A N GLY 190.A O no hydrogen 2.924 N/A TRP 194.A NE1 GLY 223.A O no hydrogen 2.911 N/A GLU 195.A N VAL 191.A O no hydrogen 2.789 N/A ALA 196.A N LEU 192.A O no hydrogen 2.838 N/A PHE 197.A N MET 193.A O no hydrogen 2.997 N/A SER 198.A N TRP 194.A O no hydrogen 2.998 N/A SER 198.A N GLU 195.A O no hydrogen 3.155 N/A SER 198.A OG TRP 194.A O no hydrogen 2.852 N/A TYR 199.A N ALA 196.A O no hydrogen 3.070 N/A TYR 199.A OH VAL 103.A O no hydrogen 2.616 N/A GLY 200.A N GLU 195.A O no hydrogen 2.900 N/A GLN 201.A N SER 198.A O no hydrogen 3.241 N/A MET 207.A N TYR 204.A O no hydrogen 3.145 N/A LYS 208.A N GLU 211.A OE1 no hydrogen 2.838 N/A VAL 212.A N LYS 208.A O no hydrogen 3.009 N/A THR 213.A N GLY 209.A O no hydrogen 2.992 N/A THR 213.A OG1 GLY 209.A O no hydrogen 3.300 N/A ALA 214.A N SER 210.A O no hydrogen 3.079 N/A MET 215.A N GLU 211.A O no hydrogen 2.996 N/A LEU 216.A N VAL 212.A O no hydrogen 3.013 N/A GLU 217.A N THR 213.A O no hydrogen 2.950 N/A LYS 218.A N ALA 214.A O no hydrogen 2.943 N/A GLY 219.A N LEU 216.A O no hydrogen 2.887 N/A GLU 220.A N MET 215.A O no hydrogen 3.099 N/A ARG 221.A NE TRP 240.A O no hydrogen 3.224 N/A ARG 221.A NH1 LEU 216.A O no hydrogen 3.178 N/A ARG 221.A NH1 GLU 220.A O no hydrogen 2.811 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 3.081 N/A CYS 224.A SG PRO 225.A O no hydrogen 3.649 N/A CYS 228.A N PRO 225.A O no hydrogen 2.922 N/A CYS 228.A SG PRO 229.A O no hydrogen 3.441 N/A ARG 230.A NE ASP 234.A OD1 no hydrogen 3.247 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.458 N/A MET 232.A N PRO 229.A O no hydrogen 2.931 N/A TYR 233.A N PRO 229.A O no hydrogen 3.095 N/A TYR 233.A OH MET 222.A O no hydrogen 2.464 N/A ASP 234.A N ARG 230.A O no hydrogen 2.867 N/A LEU 235.A N GLU 231.A O no hydrogen 3.000 N/A MET 236.A N MET 232.A O no hydrogen 3.028 N/A ASN 237.A N TYR 233.A O no hydrogen 3.120 N/A ASN 237.A ND2 TYR 233.A O no hydrogen 3.564 N/A LEU 238.A N ASP 234.A O no hydrogen 3.072 N/A CYS 239.A N LEU 235.A O no hydrogen 2.888 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.477 N/A TRP 240.A N MET 236.A O no hydrogen 2.938 N/A THR 241.A N LEU 238.A O no hydrogen 3.241 N/A THR 241.A OG1 LEU 238.A O no hydrogen 2.681 N/A TYR 242.A OH GLU 217.A OE1 no hydrogen 2.587 N/A TYR 242.A OH GLU 217.A OE2 no hydrogen 3.117 N/A GLU 245.A N ASP 243.A OD1 no hydrogen 2.940 N/A ARG 247.A N ASP 243.A O no hydrogen 2.994 N/A ARG 247.A N VAL 244.A O no hydrogen 3.266 N/A ARG 247.A NE THR 241.A O no hydrogen 2.899 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 2.749 N/A ARG 247.A NH1 LYS 183.A O no hydrogen 2.922 N/A ARG 247.A NH2 GLU 173.A OE1 no hydrogen 2.978 N/A ARG 247.A NH2 THR 241.A O no hydrogen 3.003 N/A ARG 247.A NH2 TYR 242.A O no hydrogen 3.247 N/A PHE 250.A N GLU 123.A OE1 no hydrogen 3.243 N/A PHE 250.A N GLU 123.A OE2 no hydrogen 2.851 N/A VAL 253.A N GLY 249.A O no hydrogen 3.047 N/A GLU 254.A N PHE 250.A O no hydrogen 2.799 N/A LEU 255.A N ALA 251.A O no hydrogen 3.127 N/A ARG 256.A N ALA 252.A O no hydrogen 3.028 N/A ARG 256.A NH1 ARG 256.A O no hydrogen 3.118 N/A LEU 257.A N VAL 253.A O no hydrogen 3.037 N/A ARG 258.A N GLU 254.A O no hydrogen 2.796 N/A ARG 258.A NE GLU 254.A OE2 no hydrogen 3.121 N/A ARG 258.A NH2 GLU 254.A OE1 no hydrogen 2.615 N/A ARG 258.A NH2 GLU 254.A OE2 no hydrogen 3.307 N/A ASN 259.A N LEU 255.A O no hydrogen 2.828 N/A TYR 260.A N ARG 256.A O no hydrogen 3.006 N/A TYR 261.A N LEU 257.A O no hydrogen 2.932 N/A TYR 262.A N ARG 258.A O no hydrogen 3.128 N/A ASP 263.A N ASN 259.A O no hydrogen 3.112 N/A VAL 264.A N TYR 260.A O no hydrogen 3.033 N/A