Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hw1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ THR 129.A O no hydrogen 2.949 N/A GLN 3.A N GLN 130.A O no hydrogen 3.115 N/A ILE 4.A N PRO 54.A O no hydrogen 3.024 N/A LEU 5.A N TRP 133.A O no hydrogen 2.965 N/A CYS 6.A N ALA 56.A O no hydrogen 2.877 N/A VAL 7.A N HIS 135.A O no hydrogen 2.827 N/A GLY 8.A N MET 58.A O no hydrogen 3.014 N/A VAL 11.A N GLY 38.A O no hydrogen 3.042 N/A LEU 12.A N PRO 93.A O no hydrogen 3.076 N/A ASP 13.A N GLN 36.A O no hydrogen 2.850 N/A VAL 14.A N ALA 95.A O no hydrogen 2.749 N/A ILE 15.A N ARG 34.A O no hydrogen 2.685 N/A SER 16.A N VAL 97.A O no hydrogen 2.770 N/A LEU 17.A N SER 32.A O no hydrogen 2.911 N/A VAL 18.A N ILE 99.A O no hydrogen 2.957 N/A SER 26.A N LYS 23.A O no hydrogen 3.040 N/A SER 26.A OG LYS 23.A O no hydrogen 2.510 N/A LEU 31.A N LEU 17.A O no hydrogen 2.684 N/A SER 32.A N LEU 17.A O no hydrogen 3.489 N/A GLN 33.A NE2 SER 16.A OG no hydrogen 3.054 N/A ARG 34.A N ILE 15.A O no hydrogen 2.875 N/A ARG 34.A NE GLN 36.A OE1 no hydrogen 3.263 N/A ARG 34.A NH1 GLN 290.A OE1 no hydrogen 3.389 N/A ARG 34.A NH2 GLN 36.A OE1 no hydrogen 2.738 N/A GLN 36.A N ASP 13.A O no hydrogen 2.916 N/A ARG 37.A NE ASP 73.A OD1 no hydrogen 2.604 N/A ARG 37.A NH1 SER 42.A O no hydrogen 2.845 N/A ARG 37.A NH1 SER 42.A OG no hydrogen 2.835 N/A ARG 37.A NH2 THR 46.A OG1 no hydrogen 2.606 N/A ARG 37.A NH2 ASP 73.A OD1 no hydrogen 2.805 N/A GLY 38.A N VAL 11.A O no hydrogen 2.677 N/A ASN 40.A ND2 GLU 169.A OE1 no hydrogen 2.897 N/A ASN 40.A ND2 GLU 169.A OE2 no hydrogen 3.487 N/A ASN 40.A ND2 GLU 171.A OE1 no hydrogen 3.118 N/A ALA 41.A N GLU 137.A OE1 no hydrogen 2.996 N/A SER 42.A OG GLY 38.A O no hydrogen 2.814 N/A ASN 43.A N GLY 39.A O no hydrogen 2.734 N/A ASN 43.A ND2 ASP 256.A OD2 no hydrogen 3.067 N/A SER 44.A N ASN 40.A O no hydrogen 2.963 N/A SER 44.A OG ASN 40.A O no hydrogen 3.335 N/A SER 44.A OG ASP 256.A O no hydrogen 3.105 N/A CYS 45.A N ALA 41.A O no hydrogen 3.023 N/A CYS 45.A SG ALA 41.A O no hydrogen 3.768 N/A CYS 45.A SG ALA 56.A O no hydrogen 3.788 N/A THR 46.A N SER 42.A O no hydrogen 3.300 N/A THR 46.A OG1 SER 42.A O no hydrogen 3.182 N/A VAL 47.A N ASN 43.A O no hydrogen 3.063 N/A LEU 48.A N SER 44.A O no hydrogen 2.890 N/A SER 49.A N CYS 45.A O no hydrogen 2.861 N/A SER 49.A OG TYR 77.A O no hydrogen 2.457 N/A LEU 50.A N THR 46.A O no hydrogen 2.999 N/A LEU 51.A N VAL 47.A O no hydrogen 2.854 N/A GLY 52.A N SER 49.A O no hydrogen 2.999 N/A ALA 53.A N LEU 48.A O no hydrogen 2.896 N/A CYS 55.A SG CYS 45.A O no hydrogen 3.553 N/A CYS 55.A SG ALA 53.A O no hydrogen 3.795 N/A ALA 56.A N ILE 4.A O no hydrogen 2.925 N/A PHE 57.A N ASP 80.A O no hydrogen 3.043 N/A MET 58.A N CYS 6.A O no hydrogen 2.832 N/A SER 60.A OG PRO 116.A O no hydrogen 2.532 N/A MET 61.A N VAL 85.A O no hydrogen 2.883 N/A ASP 68.A N GLY 64.A O no hydrogen 3.026 N/A PHE 69.A N HIS 65.A O no hydrogen 2.970 N/A VAL 70.A N VAL 66.A O no hydrogen 3.034 N/A LEU 71.A N ALA 67.A O no hydrogen 2.801 N/A ASP 72.A N ASP 68.A O no hydrogen 2.903 N/A ASP 73.A N PHE 69.A O no hydrogen 3.026 N/A LEU 74.A N VAL 70.A O no hydrogen 2.940 N/A ARG 75.A N LEU 71.A O no hydrogen 2.933 N/A ARG 75.A NH2 ASP 72.A OD1 no hydrogen 2.710 N/A ARG 76.A N ASP 72.A O no hydrogen 3.051 N/A ARG 76.A NH2 ASP 73.A OD2 no hydrogen 2.656 N/A TYR 77.A N LEU 74.A O no hydrogen 2.936 N/A TYR 77.A OH ASP 293.A OD1 no hydrogen 2.291 N/A SER 78.A N ARG 75.A O no hydrogen 2.842 N/A VAL 79.A N LEU 74.A O no hydrogen 3.203 N/A ASP 80.A N CYS 55.A O no hydrogen 2.945 N/A ARG 82.A N ASP 80.A OD1 no hydrogen 2.789 N/A THR 84.A N LEU 81.A O no hydrogen 2.980 N/A THR 84.A OG1 LEU 81.A O no hydrogen 2.854 N/A VAL 85.A N GLY 59.A O no hydrogen 2.912 N/A GLN 87.A N MET 61.A O no hydrogen 2.747 N/A GLN 87.A NE2 SER 60.A OG no hydrogen 2.975 N/A SER 91.A N ARG 113.A O no hydrogen 3.142 N/A ALA 95.A N LEU 12.A O no hydrogen 2.865 N/A THR 96.A N LEU 109.A O no hydrogen 2.866 N/A VAL 97.A N VAL 14.A O no hydrogen 2.841 N/A ILE 98.A N THR 107.A O no hydrogen 2.806 N/A ILE 99.A N SER 16.A O no hydrogen 2.936 N/A ASN 100.A N SER 105.A O no hydrogen 3.208 N/A GLU 101.A N VAL 18.A O no hydrogen 2.651 N/A ALA 102.A N ASN 100.A OD1 no hydrogen 2.803 N/A SER 103.A N ASN 100.A O no hydrogen 3.121 N/A GLY 104.A N ASN 100.A O no hydrogen 2.725 N/A SER 105.A N SER 103.A OG no hydrogen 3.176 N/A SER 105.A OG SER 103.A OG no hydrogen 3.345 N/A ARG 106.A NH1 ARG 106.A O no hydrogen 2.718 N/A THR 107.A N ILE 98.A O no hydrogen 2.930 N/A LEU 109.A N THR 96.A O no hydrogen 2.792 N/A TYR 111.A N ILE 94.A O no hydrogen 3.347 N/A ARG 113.A NE VAL 92.A O no hydrogen 2.837 N/A ARG 113.A NH2 VAL 92.A O no hydrogen 2.548 N/A SER 114.A N ASP 112.A OD2 no hydrogen 3.181 N/A SER 119.A N ASP 122.A OD2 no hydrogen 2.941 N/A ALA 120.A N GLU 143.A OE1 no hydrogen 2.732 N/A ASP 122.A N SER 119.A OG no hydrogen 3.084 N/A PHE 123.A N SER 119.A O no hydrogen 2.830 N/A GLU 124.A N ALA 120.A O no hydrogen 2.941 N/A LYS 125.A N ASP 122.A O no hydrogen 3.267 N/A VAL 126.A N PHE 123.A O no hydrogen 2.923 N/A ASP 127.A N TYR 83.A OH no hydrogen 3.040 N/A THR 129.A N ASP 127.A OD1 no hydrogen 3.147 N/A THR 129.A OG1 ASP 127.A OD1 no hydrogen 2.582 N/A THR 129.A OG1 ASP 127.A OD2 no hydrogen 3.067 N/A GLN 130.A N ASP 127.A O no hydrogen 3.076 N/A PHE 131.A N LEU 128.A O no hydrogen 3.174 N/A LYS 132.A N GLN 3.A O no hydrogen 2.995 N/A TRP 133.A NE1 SER 167.A OG no hydrogen 2.855 N/A ILE 134.A N ARG 165.A O no hydrogen 2.844 N/A HIS 135.A N LEU 5.A O no hydrogen 2.742 N/A HIS 135.A ND1 SER 167.A OG no hydrogen 2.821 N/A ILE 136.A N SER 167.A O no hydrogen 2.863 N/A GLU 137.A N VAL 7.A O no hydrogen 2.922 N/A GLY 138.A N GLU 169.A O no hydrogen 2.881 N/A ARG 139.A N GLN 144.A OE1 no hydrogen 2.838 N/A ARG 139.A NE ASP 117.A OD2 no hydrogen 3.286 N/A ASN 140.A N ASN 140.A OD1 no hydrogen 2.615 N/A ASN 140.A ND2 VAL 118.A O no hydrogen 3.066 N/A ALA 141.A N GLU 176.A OE1 no hydrogen 3.321 N/A GLN 144.A N ASN 140.A O no hydrogen 3.015 N/A GLN 144.A NE2 GLU 137.A O no hydrogen 2.827 N/A VAL 145.A N ALA 141.A O no hydrogen 2.710 N/A LYS 146.A NZ GLU 143.A OE2 no hydrogen 2.823 N/A MET 147.A N GLU 143.A O no hydrogen 3.097 N/A LEU 148.A N GLN 144.A O no hydrogen 2.866 N/A GLN 149.A N VAL 145.A O no hydrogen 2.779 N/A GLN 149.A NE2 TYR 183.A OH no hydrogen 3.409 N/A ARG 150.A N LYS 146.A O no hydrogen 2.962 N/A ARG 150.A NH1 VAL 126.A O no hydrogen 3.029 N/A ARG 150.A NH2 VAL 126.A O no hydrogen 2.958 N/A ILE 151.A N MET 147.A O no hydrogen 3.074 N/A ASP 152.A N LEU 148.A O no hydrogen 3.000 N/A ALA 153.A N GLN 149.A O no hydrogen 2.974 N/A HIS 154.A N ARG 150.A O no hydrogen 3.018 N/A ASN 155.A N ILE 151.A O no hydrogen 2.910 N/A ASN 155.A ND2 ILE 164.A O no hydrogen 3.035 N/A THR 156.A N ASP 152.A O no hydrogen 3.027 N/A THR 156.A OG1 ALA 153.A O no hydrogen 2.847 N/A ARG 157.A N HIS 154.A O no hydrogen 3.180 N/A GLN 158.A N ASN 155.A O no hydrogen 2.946 N/A GLN 158.A NE2 HIS 154.A O no hydrogen 3.292 N/A GLN 162.A N PRO 159.A O no hydrogen 2.858 N/A LYS 163.A NZ ASN 155.A O no hydrogen 2.742 N/A LYS 163.A NZ GLN 158.A O no hydrogen 2.840 N/A ILE 164.A N ASN 155.A OD1 no hydrogen 2.787 N/A ARG 165.A N LYS 132.A O no hydrogen 3.156 N/A VAL 166.A N ASP 185.A OD2 no hydrogen 2.731 N/A SER 167.A N ILE 134.A O no hydrogen 3.004 N/A SER 167.A OG HIS 135.A ND1 no hydrogen 2.821 N/A VAL 168.A N VAL 186.A O no hydrogen 2.998 N/A GLU 169.A N ILE 136.A O no hydrogen 3.005 N/A VAL 170.A N PHE 188.A O no hydrogen 2.848 N/A ARG 174.A N LYS 172.A O no hydrogen 2.822 N/A LEU 177.A N ARG 174.A O no hydrogen 2.917 N/A PHE 178.A N GLU 175.A O no hydrogen 3.093 N/A GLN 179.A NE2 GLU 176.A O no hydrogen 2.797 N/A LEU 180.A N LEU 177.A O no hydrogen 2.834 N/A PHE 181.A N PHE 178.A O no hydrogen 2.994 N/A GLY 182.A N GLN 179.A O no hydrogen 3.336 N/A TYR 183.A N LEU 180.A O no hydrogen 3.023 N/A ASP 185.A N VAL 166.A O no hydrogen 2.722 N/A VAL 186.A N VAL 166.A O no hydrogen 3.104 N/A VAL 187.A N VAL 218.A O no hydrogen 2.884 N/A PHE 188.A N VAL 168.A O no hydrogen 2.803 N/A VAL 189.A N VAL 220.A O no hydrogen 2.917 N/A SER 190.A N VAL 170.A O no hydrogen 3.088 N/A SER 190.A OG GLU 171.A O no hydrogen 2.709 N/A VAL 193.A N SER 190.A OG no hydrogen 3.075 N/A ALA 194.A N SER 190.A O no hydrogen 2.969 N/A LYS 195.A N LYS 191.A O no hydrogen 2.845 N/A HIS 196.A N ASP 192.A O no hydrogen 2.932 N/A LEU 197.A N VAL 193.A O no hydrogen 3.022 N/A LEU 197.A N ALA 194.A O no hydrogen 3.146 N/A GLY 198.A N LYS 195.A O no hydrogen 2.946 N/A PHE 199.A N ALA 194.A O no hydrogen 2.889 N/A GLN 200.A N GLU 204.A OE2 no hydrogen 2.932 N/A GLU 204.A N SER 201.A OG no hydrogen 3.098 N/A ALA 205.A N SER 201.A O no hydrogen 3.088 N/A LEU 206.A N ALA 202.A O no hydrogen 2.871 N/A ARG 207.A N GLU 203.A O no hydrogen 3.035 N/A ARG 207.A NH1 GLY 235.A O no hydrogen 3.154 N/A GLY 208.A N GLU 204.A O no hydrogen 2.875 N/A LEU 209.A N LEU 206.A O no hydrogen 3.323 N/A TYR 210.A N LEU 206.A O no hydrogen 2.912 N/A TYR 210.A OH ALA 217.A O no hydrogen 2.562 N/A ARG 212.A N LEU 209.A O no hydrogen 2.928 N/A VAL 213.A N TYR 210.A O no hydrogen 3.140 N/A ARG 214.A NH2 ASP 152.A OD1 no hydrogen 2.441 N/A ALA 217.A N ARG 214.A O no hydrogen 3.006 N/A VAL 218.A N ASP 185.A O no hydrogen 2.855 N/A LEU 219.A N LEU 231.A O no hydrogen 2.912 N/A VAL 220.A N VAL 187.A O no hydrogen 2.812 N/A CYS 221.A N ASP 229.A O no hydrogen 2.908 N/A CYS 221.A SG VAL 189.A O no hydrogen 3.630 N/A CYS 221.A SG ALA 222.A O no hydrogen 3.982 N/A TRP 223.A N GLY 227.A O no hydrogen 2.789 N/A GLU 226.A N TRP 223.A O no hydrogen 2.962 N/A GLY 227.A N ALA 224.A O no hydrogen 2.937 N/A ALA 228.A N SER 240.A O no hydrogen 2.997 N/A ASP 229.A N CYS 221.A O no hydrogen 2.961 N/A ALA 230.A N LEU 238.A O no hydrogen 2.940 N/A LEU 231.A N LEU 219.A O no hydrogen 2.885 N/A GLY 235.A N GLY 232.A O no hydrogen 3.061 N/A LYS 236.A N ASP 234.A OD1 no hydrogen 2.675 N/A LEU 238.A N ALA 230.A O no hydrogen 2.793 N/A HIS 239.A ND1 ASP 229.A OD1 no hydrogen 2.866 N/A HIS 239.A NE2 ASP 241.A OD1 no hydrogen 2.652 N/A SER 240.A N ALA 228.A O no hydrogen 2.949 N/A SER 240.A OG ASP 241.A O no hydrogen 2.784 N/A ARG 247.A NH1 GLU 101.A O no hydrogen 3.093 N/A ARG 247.A NH1 VAL 248.A O no hydrogen 3.535 N/A ARG 247.A NH2 GLU 101.A O no hydrogen 3.468 N/A VAL 249.A N CYS 287.A O no hydrogen 2.817 N/A ASP 250.A N CYS 287.A O no hydrogen 3.128 N/A THR 251.A N GLY 104.A O no hydrogen 3.087 N/A THR 251.A OG1 GLY 104.A O no hydrogen 2.995 N/A LEU 252.A N ASP 250.A OD1 no hydrogen 3.020 N/A ALA 254.A N THR 251.A O no hydrogen 3.201 N/A THR 257.A N GLY 253.A O no hydrogen 2.853 N/A THR 257.A OG1 GLY 253.A O no hydrogen 2.862 N/A PHE 258.A N ALA 254.A O no hydrogen 2.860 N/A ASN 259.A N GLY 255.A O no hydrogen 2.779 N/A ASN 259.A ND2 GLU 169.A OE2 no hydrogen 3.125 N/A ALA 260.A N ASP 256.A O no hydrogen 3.008 N/A SER 261.A N THR 257.A O no hydrogen 3.015 N/A SER 261.A OG THR 257.A O no hydrogen 2.930 N/A VAL 262.A N PHE 258.A O no hydrogen 2.973 N/A ILE 263.A N ASN 259.A O no hydrogen 2.953 N/A PHE 264.A N ALA 260.A O no hydrogen 2.866 N/A SER 265.A N SER 261.A O no hydrogen 2.942 N/A LEU 266.A N VAL 262.A O no hydrogen 2.928 N/A SER 267.A N ILE 263.A O no hydrogen 2.835 N/A SER 267.A OG ILE 263.A O no hydrogen 3.246 N/A SER 267.A OG PHE 264.A O no hydrogen 2.830 N/A GLN 268.A N PHE 264.A O no hydrogen 2.982 N/A GLN 268.A N SER 265.A O no hydrogen 3.157 N/A GLY 269.A N LEU 266.A O no hydrogen 2.954 N/A ARG 270.A N SER 265.A O no hydrogen 3.088 N/A ARG 270.A NE GLU 274.A OE1 no hydrogen 2.519 N/A ARG 270.A NH2 GLU 274.A OE1 no hydrogen 2.528 N/A GLN 273.A NE2 HIS 239.A O no hydrogen 2.861 N/A GLN 273.A NE2 GLN 273.A O no hydrogen 3.218 N/A GLU 274.A N SER 271.A OG no hydrogen 3.062 N/A ALA 275.A N SER 271.A O no hydrogen 2.891 N/A LEU 276.A N VAL 272.A O no hydrogen 2.885 N/A ARG 277.A N GLN 273.A O no hydrogen 3.090 N/A PHE 278.A N GLU 274.A O no hydrogen 2.744 N/A GLY 279.A N ALA 275.A O no hydrogen 2.727 N/A CYS 280.A N LEU 276.A O no hydrogen 2.939 N/A CYS 280.A SG ASP 241.A O no hydrogen 3.756 N/A CYS 280.A SG LEU 276.A O no hydrogen 3.505 N/A GLN 281.A N ARG 277.A O no hydrogen 2.954 N/A VAL 282.A N PHE 278.A O no hydrogen 2.951 N/A ALA 283.A N GLY 279.A O no hydrogen 3.103 N/A GLY 284.A N CYS 280.A O no hydrogen 2.961 N/A LYS 285.A N GLN 281.A O no hydrogen 2.902 N/A LYS 285.A NZ ILE 295.A O no hydrogen 2.598 N/A LYS 286.A N VAL 282.A O no hydrogen 2.805 N/A LYS 286.A NZ ASP 250.A O no hydrogen 2.945 N/A LYS 286.A NZ ASP 250.A OD2 no hydrogen 2.894 N/A LYS 286.A NZ LYS 286.A O no hydrogen 2.885 N/A LYS 286.A NZ LEU 289.A O no hydrogen 2.781 N/A LYS 286.A NZ GLY 291.A O no hydrogen 2.787 N/A CYS 287.A N ALA 283.A O no hydrogen 2.954 N/A CYS 287.A SG ALA 283.A O no hydrogen 3.400 N/A GLY 288.A N LYS 285.A O no hydrogen 3.105 N/A LEU 289.A N LYS 286.A O no hydrogen 3.075 N/A GLY 291.A N ASP 250.A OD2 no hydrogen 2.700 N/A ILE 295.A N PHE 292.A O no hydrogen 3.154 N/A