Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wig_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 56.A NE2 no hydrogen 3.540 N/A MET 1.A N TYR 67.A O no hydrogen 3.335 N/A LYS 4.A N ASP 7.A OD2 no hydrogen 3.148 N/A ASP 7.A N LYS 4.A O no hydrogen 2.838 N/A PHE 8.A N ASP 5.A O no hydrogen 3.471 N/A ILE 11.A N LYS 21.A O no hydrogen 2.739 N/A SER 12.A N LYS 21.A O no hydrogen 3.261 N/A LEU 14.A N VAL 19.A O no hydrogen 2.965 N/A VAL 19.A N GLY 15.A O no hydrogen 3.004 N/A PHE 20.A N ARG 33.A O no hydrogen 2.853 N/A LYS 21.A N SER 12.A O no hydrogen 3.035 N/A VAL 22.A N MET 31.A O no hydrogen 2.851 N/A SER 23.A N GLU 9.A O no hydrogen 2.775 N/A HIS 24.A N LEU 29.A O no hydrogen 2.764 N/A LYS 25.A N ASP 7.A O no hydrogen 2.904 N/A LYS 25.A NZ ASP 6.A O no hydrogen 3.414 N/A SER 27.A N HIS 24.A O no hydrogen 3.121 N/A SER 27.A OG HIS 24.A O no hydrogen 3.557 N/A GLY 28.A N HIS 24.A O no hydrogen 2.922 N/A LEU 29.A N SER 27.A OG no hydrogen 3.094 N/A MET 31.A N VAL 22.A O no hydrogen 2.859 N/A ALA 32.A N MET 80.A O no hydrogen 2.841 N/A ARG 33.A N PHE 20.A O no hydrogen 2.747 N/A ARG 33.A NE SER 77.A OG no hydrogen 3.089 N/A ARG 33.A NH1 ASP 5.A OD1 no hydrogen 3.278 N/A ARG 33.A NH2 ASP 5.A OD1 no hydrogen 2.793 N/A ARG 33.A NH2 SER 77.A OG no hydrogen 3.065 N/A LYS 34.A N ILE 78.A O no hydrogen 2.857 N/A LYS 34.A NZ ASP 145.A OD1 no hydrogen 3.436 N/A LYS 34.A NZ ASP 145.A OD2 no hydrogen 2.796 N/A LEU 35.A N VAL 18.A O no hydrogen 3.031 N/A ILE 36.A N ILE 76.A O no hydrogen 2.689 N/A HIS 37.A ND1 GLY 74.A O no hydrogen 2.947 N/A ILE 40.A N LEU 38.A O no hydrogen 2.956 N/A ILE 44.A N LYS 41.A O no hydrogen 3.186 N/A ARG 45.A N LYS 41.A O no hydrogen 3.279 N/A ARG 45.A NE ASN 46.A OD1 no hydrogen 3.364 N/A ASN 46.A N PRO 42.A O no hydrogen 3.196 N/A ILE 48.A N ILE 44.A O no hydrogen 2.944 N/A ILE 49.A N ARG 45.A O no hydrogen 3.193 N/A ARG 50.A N ASN 46.A O no hydrogen 2.920 N/A ARG 50.A NH1 GLN 47.A OE1 no hydrogen 2.530 N/A GLU 51.A N GLN 47.A O no hydrogen 2.865 N/A LEU 52.A N ILE 48.A O no hydrogen 2.813 N/A LEU 52.A N ILE 49.A O no hydrogen 2.996 N/A GLN 53.A N ILE 49.A O no hydrogen 3.246 N/A VAL 54.A N GLU 51.A O no hydrogen 3.373 N/A LEU 55.A N LEU 52.A O no hydrogen 2.705 N/A HIS 56.A N GLN 53.A O no hydrogen 3.175 N/A HIS 56.A NE2 TYR 67.A O no hydrogen 2.923 N/A GLU 57.A N VAL 54.A O no hydrogen 2.868 N/A CYS 58.A N LEU 55.A O no hydrogen 3.054 N/A CYS 58.A SG HIS 121.A NE2 no hydrogen 3.907 N/A ASN 59.A N TYR 116.A OH no hydrogen 2.815 N/A TYR 62.A N SER 60.A OG no hydrogen 2.973 N/A ILE 63.A N SER 60.A O no hydrogen 3.061 N/A VAL 64.A N LEU 143.A O no hydrogen 3.046 N/A GLY 65.A N GLU 81.A OE2 no hydrogen 2.792 N/A TYR 67.A N CYS 79.A O no hydrogen 2.816 N/A GLY 68.A N CYS 79.A O no hydrogen 3.433 N/A PHE 70.A N SER 77.A O no hydrogen 2.997 N/A SER 72.A N GLU 75.A O no hydrogen 2.887 N/A GLU 75.A N SER 72.A O no hydrogen 3.009 N/A ILE 76.A N ILE 36.A O no hydrogen 2.822 N/A SER 77.A N PHE 70.A O no hydrogen 2.755 N/A ILE 78.A N LYS 34.A O no hydrogen 2.757 N/A CYS 79.A N GLY 68.A O no hydrogen 2.851 N/A MET 80.A N ALA 32.A O no hydrogen 2.684 N/A GLU 81.A N GLY 65.A O no hydrogen 2.838 N/A GLY 86.A N MET 83.A O no hydrogen 2.867 N/A SER 87.A N GLN 90.A OE1 no hydrogen 3.012 N/A LEU 88.A N ILE 133.A O no hydrogen 2.773 N/A ASP 89.A N SER 87.A OG no hydrogen 3.232 N/A GLN 90.A N SER 87.A OG no hydrogen 3.072 N/A GLN 90.A NE2 LEU 14.A O no hydrogen 3.314 N/A VAL 91.A N SER 87.A O no hydrogen 2.923 N/A LEU 92.A N LEU 88.A O no hydrogen 2.902 N/A LYS 93.A N ASP 89.A O no hydrogen 3.283 N/A LYS 94.A N GLN 90.A O no hydrogen 3.354 N/A ALA 95.A N VAL 91.A O no hydrogen 2.979 N/A GLY 96.A N LEU 92.A O no hydrogen 2.726 N/A ARG 97.A N ALA 95.A O no hydrogen 2.807 N/A ILE 98.A N MET 193.A O no hydrogen 2.916 N/A LEU 103.A N PRO 99.A O no hydrogen 2.977 N/A GLY 104.A N GLU 100.A O no hydrogen 2.801 N/A LYS 105.A N GLN 101.A O no hydrogen 3.389 N/A LYS 105.A NZ SER 262.A O no hydrogen 2.442 N/A LYS 105.A NZ GLU 265.A O no hydrogen 2.925 N/A VAL 106.A N ILE 102.A O no hydrogen 3.015 N/A SER 107.A N LEU 103.A O no hydrogen 2.836 N/A SER 107.A OG LEU 103.A O no hydrogen 2.772 N/A ILE 108.A N GLY 104.A O no hydrogen 3.100 N/A ALA 109.A N LYS 105.A O no hydrogen 2.902 N/A VAL 110.A N VAL 106.A O no hydrogen 2.741 N/A ILE 111.A N SER 107.A O no hydrogen 2.725 N/A LYS 112.A N ILE 108.A O no hydrogen 2.872 N/A LYS 112.A NZ TYR 62.A OH no hydrogen 3.382 N/A GLY 113.A N ALA 109.A O no hydrogen 2.943 N/A LEU 114.A N VAL 110.A O no hydrogen 2.915 N/A THR 115.A N ILE 111.A O no hydrogen 2.979 N/A TYR 116.A N LYS 112.A O no hydrogen 2.860 N/A TYR 116.A OH HIS 121.A NE2 no hydrogen 3.202 N/A LEU 117.A N GLY 113.A O no hydrogen 2.993 N/A ARG 118.A N LEU 114.A O no hydrogen 2.927 N/A GLU 119.A N THR 115.A O no hydrogen 3.029 N/A LYS 120.A N TYR 116.A O no hydrogen 2.962 N/A HIS 121.A N LEU 117.A O no hydrogen 3.188 N/A HIS 121.A NE2 TYR 116.A OH no hydrogen 3.202 N/A ILE 123.A N LEU 117.A O no hydrogen 3.346 N/A HIS 125.A N ASP 182.A OD2 no hydrogen 3.172 N/A ARG 126.A N ASP 182.A OD1 no hydrogen 3.022 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.009 N/A SER 131.A OG ASN 132.A OD1 no hydrogen 3.421 N/A ASN 132.A N LYS 129.A O no hydrogen 2.862 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.683 N/A ILE 133.A N PRO 130.A O no hydrogen 3.304 N/A LEU 134.A N LYS 142.A O no hydrogen 2.842 N/A VAL 135.A N GLY 86.A O no hydrogen 2.861 N/A ASN 136.A N GLU 140.A O no hydrogen 3.180 N/A SER 137.A N ASP 84.A OD1 no hydrogen 2.753 N/A SER 137.A OG ASP 84.A OD2 no hydrogen 2.855 N/A ARG 138.A NE GLU 140.A OE2 no hydrogen 2.937 N/A ARG 138.A NH2 GLU 140.A OE1 no hydrogen 3.139 N/A ARG 138.A NH2 GLU 140.A OE2 no hydrogen 3.289 N/A GLY 139.A N ASN 136.A O no hydrogen 2.851 N/A LYS 142.A N LEU 134.A O no hydrogen 2.775 N/A LYS 142.A NZ GLU 81.A OE1 no hydrogen 2.836 N/A LYS 142.A NZ GLU 81.A OE2 no hydrogen 3.199 N/A LYS 142.A NZ GLU 140.A OE1 no hydrogen 3.143 N/A LEU 143.A N TYR 62.A O no hydrogen 2.856 N/A CYS 144.A N ASN 132.A O no hydrogen 3.016 N/A CYS 144.A SG ASP 145.A OD1 no hydrogen 3.669 N/A GLY 147.A N HIS 125.A O no hydrogen 2.787 N/A SER 149.A OG GLU 51.A OE2 no hydrogen 2.667 N/A GLN 151.A N GLU 51.A OE2 no hydrogen 3.281 N/A LEU 152.A N SER 149.A OG no hydrogen 2.922 N/A ILE 153.A N SER 149.A O no hydrogen 2.987 N/A ASP 154.A N GLY 150.A O no hydrogen 3.230 N/A SER 155.A N GLN 151.A O no hydrogen 2.960 N/A SER 155.A OG GLN 151.A O no hydrogen 2.782 N/A MET 156.A N LEU 152.A O no hydrogen 3.077 N/A MET 156.A N ILE 153.A O no hydrogen 3.186 N/A ALA 157.A N ILE 153.A O no hydrogen 3.384 N/A VAL 161.A N ASN 158.A O no hydrogen 3.034 N/A ARG 164.A NH2 ASP 89.A OD1 no hydrogen 3.224 N/A ARG 164.A NH2 GLU 192.A OE2 no hydrogen 2.703 N/A SER 165.A N TYR 198.A OH no hydrogen 2.902 N/A TYR 166.A OH GLU 192.A OE1 no hydrogen 2.436 N/A MET 167.A N SER 165.A OG no hydrogen 3.169 N/A SER 168.A OG GLU 170.A OE2 no hydrogen 2.949 N/A SER 168.A OG SER 181.A OG no hydrogen 2.789 N/A GLU 170.A N GLU 170.A OE2 no hydrogen 2.818 N/A ARG 171.A N SER 168.A OG no hydrogen 3.393 N/A ARG 171.A NH1 THR 175.A O no hydrogen 2.556 N/A LEU 172.A N SER 168.A O no hydrogen 3.297 N/A GLN 173.A N GLU 170.A O no hydrogen 2.808 N/A GLY 174.A N ARG 171.A O no hydrogen 3.158 N/A THR 175.A N GLU 170.A O no hydrogen 3.093 N/A THR 175.A OG1 GLU 170.A O no hydrogen 3.192 N/A TYR 177.A OH ASP 182.A OD1 no hydrogen 2.599 N/A GLN 180.A NE2 ALA 248.A O no hydrogen 2.733 N/A SER 181.A N SER 178.A O no hydrogen 3.066 N/A SER 181.A OG SER 168.A OG no hydrogen 2.789 N/A ASP 182.A N VAL 179.A O no hydrogen 2.820 N/A ILE 183.A N VAL 179.A O no hydrogen 3.220 N/A TRP 184.A N GLN 180.A O no hydrogen 3.292 N/A SER 185.A N SER 181.A O no hydrogen 3.342 N/A SER 185.A OG TYR 166.A O no hydrogen 2.742 N/A SER 185.A OG SER 181.A O no hydrogen 3.305 N/A MET 186.A N ASP 182.A O no hydrogen 2.935 N/A GLY 187.A N ILE 183.A O no hydrogen 2.941 N/A LEU 188.A N TRP 184.A O no hydrogen 2.833 N/A SER 189.A N SER 185.A O no hydrogen 2.734 N/A SER 189.A OG SER 185.A O no hydrogen 2.944 N/A LEU 190.A N MET 186.A O no hydrogen 2.747 N/A VAL 191.A N GLY 187.A O no hydrogen 3.060 N/A GLU 192.A N LEU 188.A O no hydrogen 3.158 N/A MET 193.A N SER 189.A O no hydrogen 2.891 N/A ALA 194.A N LEU 190.A O no hydrogen 2.793 N/A VAL 195.A N VAL 191.A O no hydrogen 3.031 N/A GLY 196.A N GLU 192.A O no hydrogen 2.941 N/A TYR 198.A OH SER 165.A O no hydrogen 2.404 N/A LEU 211.A N ALA 207.A O no hydrogen 3.130 N/A LEU 212.A N ILE 208.A O no hydrogen 2.856 N/A ASP 213.A N PHE 209.A O no hydrogen 3.035 N/A TYR 214.A N GLU 210.A O no hydrogen 2.793 N/A ILE 215.A N LEU 211.A O no hydrogen 2.967 N/A VAL 216.A N LEU 212.A O no hydrogen 3.280 N/A VAL 216.A N ASP 213.A O no hydrogen 3.278 N/A ASN 217.A N ASP 213.A O no hydrogen 3.124 N/A ASN 217.A N TYR 214.A O no hydrogen 3.128 N/A GLU 218.A N TYR 214.A O no hydrogen 2.792 N/A SER 229.A N GLU 100.A OE1 no hydrogen 3.065 N/A SER 229.A OG GLU 100.A OE2 no hydrogen 2.676 N/A PHE 232.A N SER 229.A OG no hydrogen 3.170 N/A GLN 233.A N SER 229.A O no hydrogen 3.225 N/A ASP 234.A N LEU 230.A O no hydrogen 2.930 N/A PHE 235.A N GLU 231.A O no hydrogen 3.000 N/A VAL 236.A N PHE 232.A O no hydrogen 2.938 N/A ASN 237.A N GLN 233.A O no hydrogen 2.934 N/A LYS 238.A N ASP 234.A O no hydrogen 2.905 N/A LYS 238.A NZ ASP 234.A OD1 no hydrogen 3.215 N/A LYS 238.A NZ ASP 234.A OD2 no hydrogen 3.224 N/A CYS 239.A N PHE 235.A O no hydrogen 3.127 N/A CYS 239.A N VAL 236.A O no hydrogen 3.156 N/A CYS 239.A SG PHE 235.A O no hydrogen 3.500 N/A LEU 240.A N ASN 237.A O no hydrogen 3.320 N/A LYS 242.A NZ ILE 215.A O no hydrogen 3.090 N/A LYS 242.A NZ GLU 218.A O no hydrogen 2.674 N/A ARG 247.A N ASN 243.A O no hydrogen 2.868 N/A ARG 247.A NE ILE 241.A O no hydrogen 2.830 N/A ARG 247.A NH1 GLU 170.A OE1 no hydrogen 3.292 N/A ARG 247.A NH1 GLN 180.A O no hydrogen 2.745 N/A ARG 247.A NH2 GLU 170.A OE2 no hydrogen 2.966 N/A ARG 247.A NH2 ILE 241.A O no hydrogen 2.974 N/A ALA 248.A N LYS 238.A O no hydrogen 3.081 N/A ASP 249.A N GLN 252.A OE1 no hydrogen 2.939 N/A LYS 251.A N ASP 249.A OD2 no hydrogen 2.847 N/A GLN 252.A N ASP 249.A OD2 no hydrogen 3.335 N/A LEU 253.A N ASP 249.A O no hydrogen 2.849 N/A MET 254.A N LEU 250.A O no hydrogen 2.961 N/A VAL 255.A N GLN 252.A O no hydrogen 3.118 N/A HIS 256.A N LEU 253.A O no hydrogen 3.046 N/A HIS 256.A NE2 ASP 234.A OD2 no hydrogen 2.805 N/A PHE 258.A N HIS 256.A ND1 no hydrogen 2.871 N/A LYS 260.A N HIS 256.A O no hydrogen 2.963 N/A ARG 261.A N ALA 257.A O no hydrogen 2.952 N/A ARG 261.A NH2 SER 229.A OG no hydrogen 2.722 N/A SER 262.A N PHE 258.A O no hydrogen 2.986 N/A SER 262.A OG PHE 258.A O no hydrogen 2.962 N/A ASP 263.A N ILE 259.A O no hydrogen 2.810 N/A ALA 264.A N ARG 261.A O no hydrogen 2.757 N/A GLU 265.A N ARG 261.A O no hydrogen 3.004 N/A GLY 271.A N ASP 268.A OD2 no hydrogen 2.887 N/A TRP 272.A N ASP 268.A O no hydrogen 3.067 N/A LEU 273.A N PHE 269.A O no hydrogen 2.769 N/A CYS 274.A N ALA 270.A O no hydrogen 2.996 N/A CYS 274.A SG ALA 270.A O no hydrogen 3.209 N/A SER 275.A N GLY 271.A O no hydrogen 3.153 N/A SER 275.A OG GLY 271.A O no hydrogen 3.273 N/A SER 275.A OG TRP 272.A O no hydrogen 3.563 N/A THR 276.A N LEU 273.A O no hydrogen 3.091 N/A THR 276.A OG1 TRP 272.A O no hydrogen 2.987 N/A ILE 277.A N LEU 273.A O no hydrogen 2.780 N/A GLY 278.A N CYS 274.A O no hydrogen 2.909 N/A