Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5i5s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG PHE 3.A O no hydrogen 2.627 N/A LYS 4.A NZ SER 2.A O no hydrogen 3.507 N/A ALA 5.A N GLU 112.A OE1 no hydrogen 2.840 N/A ASP 7.A N LYS 4.A O no hydrogen 3.092 N/A LEU 8.A N ALA 5.A O no hydrogen 3.128 N/A GLN 9.A N PRO 47.A O no hydrogen 3.005 N/A GLN 9.A NE2 LEU 10.A O no hydrogen 3.586 N/A GLU 11.A N ILE 49.A O no hydrogen 2.739 N/A THR 13.A N HIS 33.A NE2 no hydrogen 3.136 N/A LYS 15.A N THR 13.A OG1 no hydrogen 3.039 N/A HIS 17.A N ASP 32.A OD1 no hydrogen 2.665 N/A GLY 21.A N GLU 22.A OE1 no hydrogen 3.103 N/A LYS 28.A N VAL 25.A O no hydrogen 3.255 N/A THR 31.A N LEU 163.A O no hydrogen 3.089 N/A THR 31.A OG1 HIS 33.A O no hydrogen 3.400 N/A THR 31.A OG1 ASP 124.A OD2 no hydrogen 2.637 N/A HIS 33.A N ASP 124.A OD2 no hydrogen 2.947 N/A HIS 33.A ND1 ASP 124.A OD1 no hydrogen 2.670 N/A MET 34.A N GLN 50.A O no hydrogen 2.925 N/A LEU 35.A N VAL 161.A O no hydrogen 2.961 N/A MET 36.A N ARG 48.A O no hydrogen 2.831 N/A VAL 37.A N LEU 159.A O no hydrogen 2.797 N/A TRP 39.A N ALA 157.A O no hydrogen 2.956 N/A ASN 40.A N GLY 43.A O no hydrogen 2.996 N/A LYS 42.A N ASN 40.A OD1 no hydrogen 2.720 N/A GLY 43.A N ASN 40.A O no hydrogen 2.739 N/A TRP 44.A NE1 SER 107.A O no hydrogen 2.925 N/A GLY 45.A N GLU 38.A O no hydrogen 2.736 N/A ARG 48.A N MET 36.A O no hydrogen 2.891 N/A ARG 48.A NE GLN 50.A OE1 no hydrogen 3.475 N/A ARG 48.A NH2 GLU 11.A OE1 no hydrogen 2.975 N/A ILE 49.A N GLN 9.A O no hydrogen 2.888 N/A GLN 50.A N MET 34.A O no hydrogen 2.901 N/A PHE 52.A N ASP 32.A O no hydrogen 2.721 N/A GLN 53.A NE2 PRO 51.A O no hydrogen 2.856 N/A ALA 60.A N HIS 58.A ND1 no hydrogen 3.061 N/A SER 61.A N HIS 58.A O no hydrogen 2.994 N/A SER 61.A OG SER 63.A OG no hydrogen 2.765 N/A SER 61.A OG GLY 144.A O no hydrogen 3.536 N/A SER 61.A OG ASN 145.A OD1 no hydrogen 2.687 N/A SER 62.A N GLU 146.A O no hydrogen 3.145 N/A SER 63.A OG SER 61.A OG no hydrogen 2.765 N/A LEU 64.A N SER 61.A O no hydrogen 2.828 N/A HIS 65.A NE2 PRO 59.A O no hydrogen 2.845 N/A TYR 66.A N SER 62.A O no hydrogen 3.192 N/A TYR 66.A OH LEU 149.A O no hydrogen 2.438 N/A LEU 68.A N SER 62.A O no hydrogen 3.373 N/A GLN 69.A N SER 67.A O no hydrogen 2.834 N/A GLN 69.A NE2 SER 63.A O no hydrogen 3.012 N/A LEU 70.A N LEU 142.A O no hydrogen 2.934 N/A PHE 71.A N LYS 198.A O no hydrogen 3.147 N/A GLU 72.A N PRO 140.A O no hydrogen 2.878 N/A GLY 73.A N GLU 72.A OE1 no hydrogen 3.234 N/A MET 74.A N VAL 138.A O no hydrogen 3.011 N/A LYS 75.A NZ THR 309.A O no hydrogen 2.912 N/A LYS 75.A NZ ALA 310.A O no hydrogen 3.277 N/A ALA 76.A N LEU 136.A O no hydrogen 2.852 N/A PHE 77.A N ARG 85.A O no hydrogen 2.759 N/A LYS 78.A NZ GLN 82.A OE1 no hydrogen 3.232 N/A GLY 79.A N GLN 83.A O no hydrogen 2.875 N/A GLN 82.A N GLY 79.A O no hydrogen 2.866 N/A GLN 82.A NE2 ASP 130.A OD2 no hydrogen 2.877 N/A GLN 83.A N ASP 81.A OD1 no hydrogen 3.350 N/A GLN 83.A NE2 VAL 84.A O no hydrogen 3.125 N/A GLN 83.A NE2 VAL 361.A OXT no hydrogen 2.880 N/A ARG 85.A N PHE 77.A O no hydrogen 2.766 N/A ARG 85.A NH1 ASP 81.A OD1 no hydrogen 3.256 N/A ARG 85.A NH2 ASP 81.A OD2 no hydrogen 2.904 N/A LEU 86.A N PHE 359.A O no hydrogen 2.808 N/A PHE 87.A N LYS 75.A O no hydrogen 3.169 N/A ARG 88.A N TRP 357.A O no hydrogen 2.796 N/A ARG 88.A NH1 SER 269.A OG no hydrogen 3.063 N/A ARG 88.A NH1 ASP 272.A OD2 no hydrogen 3.048 N/A LEU 91.A N ARG 88.A O no hydrogen 3.136 N/A ASN 92.A ND2 GLU 72.A OE1 no hydrogen 2.851 N/A MET 93.A N PRO 89.A O no hydrogen 3.047 N/A ASP 94.A N TRP 90.A O no hydrogen 2.887 N/A ARG 95.A N LEU 91.A O no hydrogen 2.860 N/A ARG 95.A NE GLU 72.A OE2 no hydrogen 2.820 N/A ARG 95.A NH1 PRO 263.A O no hydrogen 3.031 N/A ARG 95.A NH2 GLU 72.A OE1 no hydrogen 2.834 N/A MET 96.A N ASN 92.A O no hydrogen 2.816 N/A LEU 97.A N MET 93.A O no hydrogen 3.033 N/A ARG 98.A N ASP 94.A O no hydrogen 3.075 N/A SER 99.A N ARG 95.A O no hydrogen 2.908 N/A SER 99.A OG ARG 95.A O no hydrogen 3.251 N/A ALA 100.A N MET 96.A O no hydrogen 2.915 N/A MET 101.A N LEU 97.A O no hydrogen 2.991 N/A ARG 102.A N ARG 98.A O no hydrogen 3.011 N/A ARG 102.A NH1 ARG 102.A O no hydrogen 2.925 N/A LEU 103.A N SER 99.A O no hydrogen 3.202 N/A LEU 103.A N ALA 100.A O no hydrogen 3.178 N/A CYS 104.A N MET 101.A O no hydrogen 3.191 N/A LEU 105.A N ALA 100.A O no hydrogen 2.853 N/A ASP 109.A N SER 2.A OG no hydrogen 3.054 N/A LYS 110.A NZ ASP 94.A OD1 no hydrogen 2.634 N/A GLU 112.A N ASP 109.A OD1 no hydrogen 2.817 N/A LEU 113.A N ASP 109.A O no hydrogen 3.015 N/A LEU 114.A N LYS 110.A O no hydrogen 2.994 N/A GLU 115.A N LEU 111.A O no hydrogen 3.074 N/A CYS 116.A N GLU 112.A O no hydrogen 2.961 N/A CYS 116.A SG GLU 112.A O no hydrogen 3.377 N/A ILE 117.A N LEU 113.A O no hydrogen 2.766 N/A ARG 118.A N LEU 114.A O no hydrogen 2.727 N/A ARG 118.A NE GLU 115.A OE1 no hydrogen 2.961 N/A ARG 118.A NH1 GLU 122.A OE2 no hydrogen 3.469 N/A ARG 118.A NH1 VAL 361.A O no hydrogen 2.770 N/A ARG 118.A NH2 GLU 115.A OE2 no hydrogen 2.739 N/A ARG 119.A N GLU 115.A O no hydrogen 2.773 N/A LEU 120.A N CYS 116.A O no hydrogen 2.946 N/A ILE 121.A N ILE 117.A O no hydrogen 2.982 N/A GLU 122.A N ARG 118.A O no hydrogen 2.867 N/A VAL 123.A N ARG 119.A O no hydrogen 3.057 N/A ASP 124.A N LEU 120.A O no hydrogen 3.109 N/A LYS 125.A N GLU 122.A O no hydrogen 3.204 N/A TRP 127.A N ASP 124.A O no hydrogen 2.802 N/A TRP 127.A NE1 ASP 32.A OD2 no hydrogen 3.148 N/A VAL 128.A N LYS 125.A O no hydrogen 3.011 N/A THR 134.A N ALA 131.A O no hydrogen 3.218 N/A THR 134.A OG1 ALA 131.A O no hydrogen 2.679 N/A SER 135.A N VAL 166.A O no hydrogen 2.929 N/A LEU 136.A N ALA 76.A O no hydrogen 2.834 N/A TYR 137.A N CYS 164.A O no hydrogen 2.759 N/A VAL 138.A N MET 74.A O no hydrogen 2.700 N/A ARG 139.A N ILE 162.A O no hydrogen 2.860 N/A ARG 139.A NE GLU 72.A O no hydrogen 2.758 N/A ARG 139.A NH2 TYR 137.A OH no hydrogen 2.721 N/A VAL 141.A N PHE 160.A O no hydrogen 2.674 N/A LEU 142.A N LEU 70.A O no hydrogen 3.029 N/A ILE 143.A N LEU 158.A O no hydrogen 2.922 N/A GLY 144.A N LEU 68.A O no hydrogen 2.797 N/A ASN 145.A N ARG 156.A O no hydrogen 2.782 N/A GLU 146.A N SER 62.A OG no hydrogen 3.159 N/A THR 155.A N GLU 146.A OE1 no hydrogen 2.762 N/A THR 155.A OG1 GLU 146.A OE1 no hydrogen 2.269 N/A THR 155.A OG1 GLU 146.A OE2 no hydrogen 3.110 N/A ALA 157.A N TRP 39.A O no hydrogen 2.935 N/A LEU 158.A N ILE 143.A O no hydrogen 2.857 N/A LEU 159.A N VAL 37.A O no hydrogen 2.786 N/A PHE 160.A N VAL 141.A O no hydrogen 2.899 N/A VAL 161.A N LEU 35.A O no hydrogen 3.105 N/A ILE 162.A N ARG 139.A O no hydrogen 3.146 N/A CYS 164.A N TYR 137.A O no hydrogen 2.830 N/A CYS 164.A SG THR 29.A O no hydrogen 3.351 N/A VAL 166.A N SER 135.A O no hydrogen 2.838 N/A GLY 173.A N PHE 170.A O no hydrogen 3.007 N/A SER 174.A OG CYS 311.A O.A no hydrogen 2.645 N/A SER 174.A OG CYS 311.A O.B no hydrogen 2.654 N/A VAL 178.A N PRO 315.A O no hydrogen 2.867 N/A SER 179.A N GLU 219.A OE1 no hydrogen 2.845 N/A SER 179.A OG GLU 219.A OE1 no hydrogen 3.433 N/A LEU 180.A N ARG 318.A O no hydrogen 2.745 N/A LEU 181.A N GLN 220.A O no hydrogen 2.954 N/A ALA 182.A N LEU 320.A O no hydrogen 2.851 N/A ALA 185.A N ASP 183.A OD1 no hydrogen 3.072 N/A PHE 186.A N.A ASP 183.A O no hydrogen 3.450 N/A ARG 188.A NH2 GLY 195.A O no hydrogen 2.951 N/A ARG 188.A NH2 VAL 260.A O no hydrogen 2.972 N/A VAL 191.A N TYR 225.A OH no hydrogen 3.028 N/A GLY 193.A N TRP 190.A O no hydrogen 2.768 N/A ASN 196.A N ASN 196.A OD1 no hydrogen 2.633 N/A TYR 197.A N VAL 194.A O no hydrogen 3.065 N/A LYS 198.A N SER 99.A OG no hydrogen 3.346 N/A GLY 200.A N GLN 69.A O no hydrogen 3.411 N/A ASN 202.A N LEU 199.A O no hydrogen 2.942 N/A ASN 202.A ND2 VAL 194.A O no hydrogen 2.853 N/A ASN 202.A ND2 TYR 197.A O no hydrogen 2.893 N/A TYR 203.A N GLY 200.A O no hydrogen 2.855 N/A THR 206.A N TYR 203.A O no hydrogen 2.883 N/A THR 206.A OG1 TYR 203.A O no hydrogen 2.624 N/A VAL 207.A N GLY 204.A O no hydrogen 3.218 N/A GLN 210.A N THR 206.A O no hydrogen 2.895 N/A GLN 210.A NE2 GLU 219.A O no hydrogen 2.822 N/A GLN 211.A N VAL 207.A O no hydrogen 3.017 N/A GLU 212.A N LEU 208.A O no hydrogen 3.121 N/A ALA 213.A N VAL 209.A O no hydrogen 2.934 N/A LEU 214.A N GLN 210.A O no hydrogen 3.111 N/A LYS 215.A N GLN 211.A O no hydrogen 2.836 N/A LYS 215.A NZ GLU 212.A OE1 no hydrogen 2.723 N/A ARG 216.A N GLU 212.A O no hydrogen 2.940 N/A ARG 216.A NE GLU 212.A OE2 no hydrogen 2.741 N/A ARG 216.A NH1 ASP 183.A OD2 no hydrogen 2.998 N/A ARG 216.A NH2 ASP 183.A OD2 no hydrogen 3.345 N/A ARG 216.A NH2 GLU 212.A OE2 no hydrogen 3.315 N/A GLY 217.A N LEU 214.A O no hydrogen 2.652 N/A CYS 218.A N ALA 213.A O no hydrogen 2.706 N/A GLU 219.A N SER 179.A O no hydrogen 2.969 N/A GLN 220.A N SER 179.A O no hydrogen 3.137 N/A LEU 222.A N LEU 181.A O no hydrogen 2.926 N/A TRP 223.A N GLU 233.A O no hydrogen 2.924 N/A TYR 225.A N GLN 230.A O no hydrogen 2.901 N/A HIS 229.A N GLY 226.A O no hydrogen 3.036 N/A GLN 230.A N TYR 225.A O no hydrogen 2.855 N/A GLN 230.A NE2 ASP 228.A OD1 no hydrogen 3.149 N/A LEU 231.A N ILE 287.A O no hydrogen 2.732 N/A THR 232.A N TRP 223.A O no hydrogen 2.952 N/A THR 232.A OG1 TRP 223.A O no hydrogen 2.909 N/A VAL 234.A N MET 237.A O no hydrogen 2.681 N/A GLY 235.A N VAL 221.A O no hydrogen 2.754 N/A MET 237.A N VAL 234.A O no hydrogen 2.762 N/A ASN 238.A N SER 307.A O no hydrogen 2.991 N/A ASN 238.A ND2 LEU 262.A O no hydrogen 2.874 N/A PHE 240.A N PHE 305.A O no hydrogen 2.868 N/A VAL 241.A N VAL 253.A O no hydrogen 2.966 N/A TYR 242.A N GLU 303.A O no hydrogen 2.803 N/A TRP 243.A N GLU 251.A O no hydrogen 2.887 N/A TRP 243.A NE1 GLU 251.A OE2 no hydrogen 2.875 N/A THR 244.A N ARG 300.A O no hydrogen 2.938 N/A HIS 245.A N VAL 249.A O no hydrogen 2.754 N/A GLY 248.A N HIS 245.A O no hydrogen 2.900 N/A VAL 249.A N ASP 247.A OD1 no hydrogen 3.296 N/A GLU 251.A N TRP 243.A O no hydrogen 2.699 N/A LEU 252.A N ARG 281.A O no hydrogen 2.901 N/A VAL 253.A N VAL 241.A O no hydrogen 2.866 N/A THR 254.A N VAL 283.A O no hydrogen 3.143 N/A THR 254.A OG1 ILE 239.A O no hydrogen 2.615 N/A ASN 258.A N PRO 256.A O no hydrogen 2.858 N/A LEU 262.A N GLU 233.A OE2 no hydrogen 2.699 N/A ARG 267.A NH2 PRO 255.A O no hydrogen 3.067 N/A ARG 267.A NH2 GLU 284.A OE1 no hydrogen 2.895 N/A GLN 268.A N GLY 264.A O no hydrogen 3.060 N/A GLN 268.A NE2 ASP 272.A OD1 no hydrogen 2.938 N/A SER 269.A N VAL 265.A O no hydrogen 3.042 N/A SER 269.A OG VAL 265.A O no hydrogen 2.652 N/A LEU 270.A N VAL 266.A O no hydrogen 2.753 N/A LEU 271.A N ARG 267.A O no hydrogen 3.021 N/A ASP 272.A N GLN 268.A O no hydrogen 2.850 N/A MET 273.A N SER 269.A O no hydrogen 2.925 N/A ALA 274.A N LEU 270.A O no hydrogen 2.918 N/A GLN 275.A N LEU 271.A O no hydrogen 2.764 N/A THR 276.A N ASP 272.A O no hydrogen 2.904 N/A THR 276.A OG1 ASP 272.A O no hydrogen 2.896 N/A TRP 277.A N MET 273.A O no hydrogen 2.957 N/A TRP 277.A NE1 GLU 344.A OE1 no hydrogen 3.038 N/A GLY 278.A N ALA 274.A O no hydrogen 3.383 N/A GLY 278.A N GLN 275.A O no hydrogen 3.194 N/A ARG 281.A N LEU 250.A O no hydrogen 3.244 N/A ARG 281.A NE GLU 251.A OE1 no hydrogen 2.885 N/A ARG 281.A NH1 ASP 247.A OD2 no hydrogen 2.677 N/A ARG 281.A NH2 ASP 247.A OD1 no hydrogen 3.067 N/A ARG 281.A NH2 ASP 247.A OD2 no hydrogen 3.124 N/A ARG 281.A NH2 GLU 251.A OE1 no hydrogen 2.984 N/A VAL 283.A N LEU 252.A O no hydrogen 2.921 N/A ARG 285.A N THR 254.A O no hydrogen 3.015 N/A ARG 285.A NH1 GLU 251.A OE1 no hydrogen 3.192 N/A ARG 285.A NH1 GLU 251.A OE2 no hydrogen 3.210 N/A ARG 285.A NH2 GLU 251.A OE2 no hydrogen 2.621 N/A THR 288.A N GLN 291.A OE1 no hydrogen 3.042 N/A MET 289.A N HIS 229.A O no hydrogen 2.970 N/A GLN 291.A N THR 288.A OG1 no hydrogen 3.098 N/A LEU 292.A N THR 288.A O no hydrogen 3.085 N/A LEU 293.A N MET 289.A O no hydrogen 2.933 N/A ARG 294.A N LYS 290.A O no hydrogen 3.128 N/A ARG 294.A NE GLU 298.A OE2 no hydrogen 2.626 N/A ARG 294.A NH2 GLU 298.A OE2 no hydrogen 3.515 N/A ALA 295.A N GLN 291.A O no hydrogen 2.942 N/A LEU 296.A N LEU 292.A O no hydrogen 2.767 N/A GLU 297.A N LEU 293.A O no hydrogen 2.929 N/A GLU 298.A N ARG 294.A O no hydrogen 2.811 N/A GLY 299.A N LEU 296.A O no hydrogen 3.085 N/A ARG 300.A N ALA 295.A O no hydrogen 2.730 N/A ARG 300.A NE GLU 298.A OE1 no hydrogen 2.808 N/A ARG 300.A NH1 THR 244.A O no hydrogen 2.846 N/A ARG 300.A NH2 GLU 298.A OE1 no hydrogen 3.136 N/A ARG 302.A N TYR 242.A O no hydrogen 2.907 N/A GLU 303.A N TYR 242.A O no hydrogen 3.124 N/A VAL 304.A N THR 330.A OG1 no hydrogen 3.041 N/A PHE 305.A N PHE 240.A O no hydrogen 2.990 N/A GLY 306.A N CYS 314.A O no hydrogen 2.815 N/A SER 307.A N ASN 238.A O no hydrogen 2.885 N/A GLY 308.A N GLN 312.A O no hydrogen 3.139 N/A CYS 311.A SG.B SER 174.A OG no hydrogen 3.011 N/A GLN 312.A N GLY 308.A O no hydrogen 2.516 N/A GLN 312.A NE2 THR 309.A O no hydrogen 3.100 N/A CYS 314.A N GLY 306.A O no hydrogen 2.734 N/A VAL 316.A N VAL 304.A O no hydrogen 2.891 N/A HIS 317.A N VAL 178.A O no hydrogen 3.024 N/A ARG 318.A NH1 ASN 325.A OD1 no hydrogen 2.695 N/A ARG 318.A NH2 GLY 217.A O no hydrogen 2.912 N/A ILE 319.A N LEU 326.A O no hydrogen 2.949 N/A LEU 320.A N LEU 180.A O no hydrogen 2.790 N/A TYR 321.A N ARG 324.A O no hydrogen 2.987 N/A TYR 321.A OH HIS 229.A ND1 no hydrogen 3.037 N/A ARG 324.A N TYR 321.A O no hydrogen 2.800 N/A LEU 326.A N ILE 319.A O no hydrogen 2.751 N/A HIS 327.A NE2 GLU 332.A OE2 no hydrogen 2.522 N/A ILE 328.A N HIS 317.A O no hydrogen 2.760 N/A THR 330.A OG1 VAL 304.A O no hydrogen 3.345 N/A THR 330.A OG1 VAL 316.A O no hydrogen 2.600 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.655 N/A ASN 333.A N THR 330.A O no hydrogen 3.085 N/A ASN 333.A ND2 ARG 302.A O no hydrogen 2.964 N/A ASN 333.A ND2 PRO 329.A O no hydrogen 2.838 N/A GLY 334.A N MET 331.A O no hydrogen 3.427 N/A GLU 336.A N ASN 333.A O no hydrogen 2.898 N/A LEU 337.A N GLU 303.A OE2 no hydrogen 2.750 N/A ILE 338.A N GLU 303.A OE1 no hydrogen 2.837 N/A LEU 339.A N PRO 335.A O no hydrogen 2.826 N/A ARG 340.A N GLU 336.A O no hydrogen 2.975 N/A ARG 340.A NH1 GLU 279.A OE1 no hydrogen 2.865 N/A ARG 340.A NH1 GLU 279.A OE2 no hydrogen 3.165 N/A ARG 340.A NH2 GLU 279.A OE2 no hydrogen 2.775 N/A PHE 341.A N LEU 337.A O no hydrogen 2.855 N/A GLN 342.A N ILE 338.A O no hydrogen 2.866 N/A GLN 342.A NE2 SER 174.A O no hydrogen 3.106 N/A GLN 342.A NE2 VAL 313.A O no hydrogen 3.278 N/A LYS 343.A N LEU 339.A O no hydrogen 2.864 N/A LYS 343.A NZ GLU 347.A OE2 no hydrogen 2.662 N/A GLU 344.A N ARG 340.A O no hydrogen 3.011 N/A LEU 345.A N PHE 341.A O no hydrogen 2.888 N/A LYS 346.A N GLN 342.A O no hydrogen 2.997 N/A GLU 347.A N LYS 343.A O no hydrogen 3.070 N/A ILE 348.A N GLU 344.A O no hydrogen 3.088 N/A GLN 349.A N LEU 345.A O no hydrogen 2.687 N/A GLN 349.A NE2 GLN 312.A OE1 no hydrogen 3.041 N/A TYR 350.A N LYS 346.A O no hydrogen 2.816 N/A TYR 350.A OH THR 134.A O no hydrogen 2.698 N/A GLY 351.A N ILE 348.A O no hydrogen 3.269 N/A ARG 353.A N GLU 347.A O no hydrogen 3.019 N/A ARG 353.A NH2 GLU 347.A OE1 no hydrogen 3.083 N/A TRP 357.A N HIS 355.A ND1 no hydrogen 3.234 N/A MET 358.A N HIS 355.A O no hydrogen 3.169 N/A PHE 359.A N LEU 86.A O no hydrogen 2.859 N/A VAL 361.A N VAL 84.A O no hydrogen 2.801 N/A