Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i22_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASN 1.A OD1 no hydrogen 2.939 N/A LEU 4.A N ASN 1.A O no hydrogen 3.223 N/A LEU 5.A N GLN 2.A O no hydrogen 3.192 N/A ARG 6.A N LEU 74.A O no hydrogen 3.064 N/A LEU 8.A N ILE 76.A O no hydrogen 2.972 N/A LYS 9.A N GLU 12.A OE2 no hydrogen 2.986 N/A GLU 12.A N LYS 9.A O no hydrogen 2.970 N/A LYS 14.A N LEU 31.A O no hydrogen 2.930 N/A LYS 14.A NZ PHE 13.A O no hydrogen 3.437 N/A LYS 15.A NZ GLN 83.A OE1 no hydrogen 2.692 N/A ILE 16.A N LYS 29.A O no hydrogen 2.954 N/A LYS 17.A N LYS 29.A O no hydrogen 3.272 N/A LEU 19.A N VAL 27.A O no hydrogen 2.811 N/A GLY 20.A N VAL 27.A O no hydrogen 3.303 N/A GLY 22.A N GLY 25.A O no hydrogen 2.944 N/A THR 26.A N GLU 47.A O no hydrogen 2.920 N/A VAL 27.A N GLY 20.A O no hydrogen 2.835 N/A TYR 28.A N ILE 45.A O no hydrogen 2.660 N/A LYS 29.A N LYS 17.A O no hydrogen 2.795 N/A GLY 30.A N VAL 43.A O no hydrogen 2.806 N/A LEU 31.A N LYS 14.A O no hydrogen 2.756 N/A TRP 32.A N ILE 41.A O no hydrogen 2.689 N/A TRP 32.A NE1 GLU 12.A OE1 no hydrogen 3.120 N/A ILE 33.A N GLU 12.A O no hydrogen 2.967 N/A GLU 37.A N PRO 34.A O no hydrogen 2.987 N/A ILE 41.A N TRP 32.A O no hydrogen 2.743 N/A VAL 43.A N GLY 30.A O no hydrogen 2.893 N/A ALA 44.A N MET 86.A O no hydrogen 2.827 N/A ILE 45.A N TYR 28.A O no hydrogen 2.866 N/A LYS 46.A N LEU 84.A O no hydrogen 2.858 N/A LYS 46.A NZ ASP 151.A OD1 no hydrogen 2.815 N/A GLU 47.A N THR 26.A O no hydrogen 2.957 N/A LEU 48.A N VAL 82.A O no hydrogen 3.014 N/A ARG 49.A N PHE 24.A O no hydrogen 3.015 N/A LYS 53.A N LYS 50.A O no hydrogen 3.003 N/A GLU 54.A N ALA 51.A O no hydrogen 3.069 N/A ILE 55.A N ALA 51.A O no hydrogen 2.875 N/A LEU 56.A N ASN 52.A O no hydrogen 2.915 N/A ASP 57.A N LYS 53.A O no hydrogen 3.377 N/A GLU 58.A N GLU 54.A O no hydrogen 3.235 N/A ALA 59.A N ILE 55.A O no hydrogen 2.868 N/A TYR 60.A N LEU 56.A O no hydrogen 2.911 N/A MET 62.A N GLU 58.A O no hydrogen 2.921 N/A ALA 63.A N ALA 59.A O no hydrogen 2.874 N/A SER 64.A N VAL 61.A O no hydrogen 2.974 N/A SER 64.A OG VAL 61.A O no hydrogen 2.599 N/A ASP 66.A N TYR 123.A OH no hydrogen 2.968 N/A VAL 70.A N ASN 67.A O no hydrogen 3.261 N/A CYS 71.A N ILE 149.A O no hydrogen 2.740 N/A CYS 71.A SG ILE 149.A O no hydrogen 3.641 N/A ARG 72.A NH1 LEU 4.A O no hydrogen 2.793 N/A ARG 72.A NH1 ALA 63.A O no hydrogen 2.964 N/A LEU 73.A N MET 62.A O no hydrogen 3.312 N/A LEU 74.A N ILE 85.A O no hydrogen 3.047 N/A GLY 75.A N ILE 85.A O no hydrogen 3.191 N/A ILE 76.A N ARG 6.A O no hydrogen 2.979 N/A CYS 77.A N GLN 83.A O no hydrogen 2.897 N/A CYS 77.A SG LEU 8.A O no hydrogen 3.513 N/A THR 79.A N THR 81.A O no hydrogen 2.968 N/A THR 79.A OG1 THR 81.A O no hydrogen 3.244 N/A THR 81.A N THR 79.A OG1 no hydrogen 3.196 N/A THR 81.A OG1 GLU 47.A OE2 no hydrogen 2.696 N/A GLN 83.A N CYS 77.A O no hydrogen 3.018 N/A LEU 84.A N LYS 46.A O no hydrogen 2.751 N/A ILE 85.A N GLY 75.A O no hydrogen 2.871 N/A MET 86.A N ALA 44.A O no hydrogen 2.892 N/A GLY 92.A N MET 89.A O no hydrogen 2.833 N/A LEU 94.A N VAL 139.A O no hydrogen 2.682 N/A TYR 97.A N CYS 93.A O no hydrogen 3.082 N/A VAL 98.A N LEU 94.A O no hydrogen 2.927 N/A ARG 99.A N LEU 95.A O no hydrogen 3.185 N/A ARG 99.A NE GLY 194.A O no hydrogen 2.791 N/A ARG 99.A NH2 GLY 194.A O no hydrogen 2.974 N/A GLU 100.A N ASP 96.A O no hydrogen 2.884 N/A HIS 101.A N TYR 97.A O no hydrogen 2.934 N/A HIS 101.A ND1 TYR 97.A O no hydrogen 3.215 N/A LYS 102.A N ARG 99.A O no hydrogen 3.342 N/A LYS 102.A NZ ASP 103.A OD1 no hydrogen 2.751 N/A ASN 104.A N HIS 101.A O no hydrogen 2.802 N/A SER 107.A N ASP 267.A OD1 no hydrogen 2.940 N/A SER 107.A OG ASP 267.A OD1 no hydrogen 3.519 N/A SER 107.A OG ASP 267.A OD2 no hydrogen 2.647 N/A GLN 108.A NE2 ASP 295.A OD1 no hydrogen 2.810 N/A TYR 109.A N GLY 106.A O no hydrogen 3.078 N/A LEU 110.A N GLY 106.A O no hydrogen 3.280 N/A LEU 111.A N SER 107.A O no hydrogen 2.979 N/A ASN 112.A N GLN 108.A O no hydrogen 3.153 N/A ASN 112.A ND2 GLN 108.A O no hydrogen 2.809 N/A ASN 112.A ND2 VAL 294.A O no hydrogen 2.997 N/A TRP 113.A N TYR 109.A O no hydrogen 2.891 N/A TRP 113.A NE1 PRO 144.A O no hydrogen 2.880 N/A CYS 114.A N LEU 110.A O no hydrogen 3.178 N/A CYS 114.A SG LEU 110.A O no hydrogen 3.410 N/A VAL 115.A N LEU 111.A O no hydrogen 3.076 N/A GLN 116.A N ASN 112.A O no hydrogen 2.886 N/A GLN 116.A NE2 GLN 145.A O no hydrogen 2.831 N/A ILE 117.A N TRP 113.A O no hydrogen 2.935 N/A ALA 118.A N CYS 114.A O no hydrogen 3.099 N/A LYS 119.A N VAL 115.A O no hydrogen 2.868 N/A LYS 119.A NZ ASP 291.A OD2 no hydrogen 3.341 N/A GLY 120.A N GLN 116.A O no hydrogen 2.974 N/A MET 121.A N ILE 117.A O no hydrogen 2.997 N/A ASN 122.A N ALA 118.A O no hydrogen 2.801 N/A TYR 123.A N LYS 119.A O no hydrogen 2.925 N/A LEU 124.A N GLY 120.A O no hydrogen 3.094 N/A GLU 125.A N MET 121.A O no hydrogen 2.880 N/A ASP 126.A N ASN 122.A O no hydrogen 2.812 N/A ARG 127.A N TYR 123.A O no hydrogen 2.998 N/A ARG 127.A NH1 SER 64.A OG no hydrogen 2.912 N/A ARG 127.A NH2 SER 64.A O no hydrogen 3.197 N/A ARG 127.A NH2 TYR 123.A OH no hydrogen 2.973 N/A ARG 128.A N GLU 125.A O no hydrogen 2.891 N/A LEU 129.A N LEU 124.A O no hydrogen 2.827 N/A HIS 131.A N ASP 179.A OD1 no hydrogen 2.846 N/A HIS 131.A NE2 THR 150.A O no hydrogen 3.043 N/A ARG 132.A N ASP 179.A OD2 no hydrogen 2.930 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 2.915 N/A ALA 136.A N GLU 189.A OE1 no hydrogen 2.919 N/A ASN 138.A N ALA 135.A O no hydrogen 2.795 N/A VAL 139.A N ALA 136.A O no hydrogen 3.187 N/A LEU 140.A N LYS 148.A O no hydrogen 2.723 N/A VAL 141.A N GLY 92.A O no hydrogen 2.742 N/A LYS 142.A N HIS 146.A O no hydrogen 2.827 N/A LYS 142.A NZ ASP 286.A OD1 no hydrogen 2.845 N/A LYS 142.A NZ GLU 288.A OE2 no hydrogen 3.415 N/A THR 143.A N HIS 146.A O no hydrogen 3.190 N/A THR 143.A OG1 GLN 145.A OE1 no hydrogen 3.467 N/A GLN 145.A N THR 143.A OG1 no hydrogen 3.226 N/A GLN 145.A NE2 TYR 109.A OH no hydrogen 3.083 N/A HIS 146.A N THR 143.A O no hydrogen 2.906 N/A HIS 146.A NE2 GLU 288.A OE2 no hydrogen 3.121 N/A VAL 147.A N GLN 116.A OE1 no hydrogen 2.816 N/A LYS 148.A N LEU 140.A O no hydrogen 2.836 N/A LYS 148.A NZ GLU 288.A OE2 no hydrogen 3.497 N/A ILE 149.A N HIS 69.A O no hydrogen 2.803 N/A THR 150.A N ASN 138.A O no hydrogen 2.862 N/A ASP 151.A N THR 150.A OG1 no hydrogen 2.730 N/A ARG 154.A N ASP 151.A O no hydrogen 3.283 N/A LEU 157.A N ARG 154.A O no hydrogen 3.165 N/A LEU 158.A N ARG 154.A O no hydrogen 2.882 N/A ILE 161.A N VAL 159.A O no hydrogen 2.732 N/A LYS 162.A NZ TYR 198.A O no hydrogen 3.121 N/A LYS 162.A NZ ILE 201.A O no hydrogen 2.633 N/A TRP 163.A N PRO 160.A O no hydrogen 3.055 N/A TRP 163.A NE1 GLU 189.A OE1 no hydrogen 2.761 N/A MET 164.A N ILE 161.A O no hydrogen 3.134 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.857 N/A SER 168.A N ALA 165.A O no hydrogen 2.920 N/A SER 168.A OG ILE 173.A O no hydrogen 2.587 N/A ILE 169.A N ALA 165.A O no hydrogen 3.021 N/A LEU 170.A N LEU 166.A O no hydrogen 2.891 N/A HIS 171.A N GLU 167.A O no hydrogen 2.883 N/A ARG 172.A N SER 168.A O no hydrogen 2.841 N/A ARG 172.A NH1 SER 168.A O no hydrogen 3.326 N/A ILE 173.A N GLU 167.A O no hydrogen 3.475 N/A THR 175.A N SER 178.A OG no hydrogen 2.754 N/A SER 178.A N THR 175.A OG1 no hydrogen 3.133 N/A SER 178.A OG THR 175.A O no hydrogen 2.862 N/A ASP 179.A N THR 175.A O no hydrogen 3.023 N/A VAL 180.A N HIS 176.A O no hydrogen 3.040 N/A TRP 181.A N GLN 177.A O no hydrogen 3.379 N/A SER 182.A N SER 178.A O no hydrogen 3.203 N/A SER 182.A OG TRP 163.A O no hydrogen 2.712 N/A TYR 183.A N ASP 179.A O no hydrogen 2.887 N/A TYR 183.A OH CYS 114.A O no hydrogen 2.730 N/A GLY 184.A N VAL 180.A O no hydrogen 2.977 N/A VAL 185.A N TRP 181.A O no hydrogen 3.130 N/A THR 186.A N SER 182.A O no hydrogen 2.873 N/A THR 186.A OG1 SER 182.A O no hydrogen 2.881 N/A VAL 187.A N TYR 183.A O no hydrogen 2.880 N/A TRP 188.A N GLY 184.A O no hydrogen 3.075 N/A TRP 188.A NE1 PRO 217.A O no hydrogen 2.774 N/A GLU 189.A N VAL 185.A O no hydrogen 2.920 N/A LEU 190.A N THR 186.A O no hydrogen 3.075 N/A MET 191.A N VAL 187.A O no hydrogen 2.927 N/A THR 192.A N TRP 188.A O no hydrogen 3.007 N/A THR 192.A OG1 TRP 188.A O no hydrogen 2.887 N/A THR 192.A OG1 GLU 189.A O no hydrogen 3.166 N/A PHE 193.A N LEU 190.A O no hydrogen 2.979 N/A GLY 194.A N GLU 189.A O no hydrogen 2.640 N/A SER 195.A N THR 192.A OG1 no hydrogen 3.167 N/A SER 195.A OG THR 192.A O no hydrogen 3.501 N/A ILE 201.A N TYR 198.A O no hydrogen 3.082 N/A GLU 205.A N PRO 202.A O no hydrogen 2.988 N/A ILE 206.A N ALA 203.A O no hydrogen 3.071 N/A SER 208.A OG GLU 205.A O no hydrogen 2.758 N/A ILE 209.A N GLU 205.A O no hydrogen 3.174 N/A LEU 210.A N ILE 206.A O no hydrogen 2.944 N/A GLU 211.A N SER 207.A O no hydrogen 2.962 N/A LYS 212.A N SER 208.A O no hydrogen 2.979 N/A LYS 212.A N ILE 209.A O no hydrogen 3.187 N/A GLY 213.A N LEU 210.A O no hydrogen 2.837 N/A GLU 214.A N ILE 209.A O no hydrogen 3.144 N/A ARG 215.A NE TRP 234.A O no hydrogen 2.862 N/A ARG 215.A NH1 TRP 234.A O no hydrogen 2.910 N/A ARG 215.A NH2 LEU 210.A O no hydrogen 2.955 N/A ARG 215.A NH2 GLU 214.A O no hydrogen 2.893 N/A CYS 222.A N PRO 219.A O no hydrogen 2.971 N/A THR 223.A N TYR 261.A O no hydrogen 3.243 N/A THR 223.A OG1 TYR 261.A O no hydrogen 2.734 N/A TYR 227.A N THR 223.A O no hydrogen 3.087 N/A TYR 227.A OH LEU 216.A O no hydrogen 2.580 N/A MET 228.A N ILE 224.A O no hydrogen 2.820 N/A ILE 229.A N ASP 225.A O no hydrogen 3.306 N/A MET 230.A N VAL 226.A O no hydrogen 3.238 N/A ARG 231.A N TYR 227.A O no hydrogen 2.897 N/A ARG 231.A NH1 TYR 227.A OH no hydrogen 2.921 N/A LYS 232.A N MET 228.A O no hydrogen 2.893 N/A CYS 233.A N ILE 229.A O no hydrogen 3.126 N/A CYS 233.A SG VAL 180.A O no hydrogen 3.777 N/A CYS 233.A SG ILE 229.A O no hydrogen 3.460 N/A TRP 234.A N ARG 231.A O no hydrogen 3.033 N/A TRP 234.A NE1 TRP 181.A O no hydrogen 3.196 N/A MET 235.A N LYS 232.A O no hydrogen 3.411 N/A ASP 239.A N ASP 237.A OD2 no hydrogen 3.413 N/A SER 240.A N ASP 237.A O no hydrogen 2.859 N/A SER 240.A OG ASP 237.A OD1 no hydrogen 2.636 N/A ARG 241.A N ALA 238.A O no hydrogen 3.115 N/A ARG 241.A NE MET 235.A O no hydrogen 2.811 N/A ARG 241.A NH1 GLU 167.A OE2 no hydrogen 2.870 N/A ARG 241.A NH1 GLN 177.A O no hydrogen 2.998 N/A ARG 241.A NH2 GLU 167.A OE1 no hydrogen 2.824 N/A ARG 241.A NH2 GLU 167.A OE2 no hydrogen 3.515 N/A ARG 241.A NH2 MET 235.A O no hydrogen 2.995 N/A LYS 243.A N GLU 246.A OE1 no hydrogen 2.890 N/A LYS 243.A NZ GLU 125.A OE2 no hydrogen 2.730 N/A LEU 247.A N LYS 243.A O no hydrogen 2.987 N/A ILE 248.A N PHE 244.A O no hydrogen 2.932 N/A ILE 249.A N ARG 245.A O no hydrogen 3.385 N/A GLU 250.A N GLU 246.A O no hydrogen 2.976 N/A PHE 251.A N LEU 247.A O no hydrogen 2.998 N/A SER 252.A N ILE 248.A O no hydrogen 2.992 N/A SER 252.A OG ILE 248.A O no hydrogen 2.627 N/A LYS 253.A N ILE 249.A O no hydrogen 2.927 N/A MET 254.A N GLU 250.A O no hydrogen 3.070 N/A ALA 255.A N PHE 251.A O no hydrogen 2.913 N/A ARG 256.A N LYS 253.A O no hydrogen 3.167 N/A ASP 257.A N MET 254.A O no hydrogen 2.925 N/A ARG 260.A N ASP 257.A O no hydrogen 2.947 N/A ARG 260.A NE ASP 257.A OD2 no hydrogen 2.891 N/A TYR 261.A N PRO 258.A O no hydrogen 3.082 N/A LEU 262.A N PRO 258.A O no hydrogen 3.091 N/A VAL 263.A N ILE 221.A O no hydrogen 2.782 N/A ASP 267.A N ILE 264.A O no hydrogen 3.197 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.741 N/A ARG 269.A N GLY 266.A O no hydrogen 3.255 N/A MET 270.A N ASP 267.A O no hydrogen 2.982 N/A HIS 271.A ND1 LEU 272.A O no hydrogen 2.618 N/A LEU 272.A N GLN 108.A OE1 no hydrogen 3.355 N/A ASP 277.A N SER 274.A OG no hydrogen 3.070 N/A SER 278.A N SER 274.A O no hydrogen 2.797 N/A ASN 279.A N PRO 275.A O no hydrogen 2.855 N/A PHE 280.A N THR 276.A O no hydrogen 3.192 N/A TYR 281.A N ASP 277.A O no hydrogen 3.120 N/A ARG 282.A N SER 278.A O no hydrogen 3.045 N/A ARG 282.A NH1 GLU 288.A O no hydrogen 3.548 N/A ARG 282.A NH2 GLU 288.A O no hydrogen 2.727 N/A ALA 283.A N ASN 279.A O no hydrogen 2.961 N/A LEU 284.A N PHE 280.A O no hydrogen 3.101 N/A MET 285.A N TYR 281.A O no hydrogen 2.968 N/A ASP 286.A N ARG 282.A O no hydrogen 3.124 N/A VAL 294.A N ASN 112.A OD1 no hydrogen 2.931 N/A ASP 297.A N ARG 256.A O no hydrogen 2.876 N/A