Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5u63_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASN 101.A O no hydrogen 3.091 N/A LYS 3.A NZ GLU 77.A OE1 no hydrogen 3.528 N/A LYS 3.A NZ GLU 77.A OE2 no hydrogen 2.970 N/A HIS 4.A ND1 THR 103.A OG1 no hydrogen 2.753 N/A ALA 5.A N THR 103.A O no hydrogen 3.007 N/A LEU 8.A N ALA 106.A O no hydrogen 3.061 N/A ILE 9.A N VAL 31.A O no hydrogen 2.794 N/A LEU 10.A N ILE 108.A O no hydrogen 2.858 N/A GLY 11.A N VAL 33.A O no hydrogen 2.859 N/A SER 12.A OG THR 34.A O no hydrogen 2.849 N/A TYR 17.A N GLY 13.A O no hydrogen 2.945 N/A THR 18.A N PRO 14.A O no hydrogen 2.974 N/A THR 18.A OG1 PRO 14.A O no hydrogen 2.676 N/A ALA 19.A N ALA 15.A O no hydrogen 2.876 N/A ALA 20.A N GLY 16.A O no hydrogen 2.880 N/A ILE 21.A N TYR 17.A O no hydrogen 2.920 N/A TYR 22.A N THR 18.A O no hydrogen 3.101 N/A ALA 23.A N ALA 19.A O no hydrogen 2.784 N/A ALA 24.A N ALA 20.A O no hydrogen 2.746 N/A ARG 25.A N ILE 21.A O no hydrogen 3.097 N/A ALA 26.A N TYR 22.A O no hydrogen 3.052 N/A ALA 26.A N ALA 23.A O no hydrogen 3.160 N/A ASN 27.A N ALA 24.A O no hydrogen 3.091 N/A LEU 28.A N ALA 23.A O no hydrogen 3.111 N/A VAL 31.A N LEU 7.A O no hydrogen 3.058 N/A LEU 32.A N GLU 77.A O no hydrogen 2.770 N/A VAL 33.A N ILE 9.A O no hydrogen 2.793 N/A THR 34.A N VAL 79.A O no hydrogen 2.994 N/A THR 34.A OG1 GLY 35.A O no hydrogen 2.823 N/A GLN 38.A NE2 TYR 17.A OH no hydrogen 3.257 N/A GLY 39.A N SER 12.A OG no hydrogen 3.151 N/A GLY 40.A N GLN 37.A O no hydrogen 2.772 N/A GLN 41.A NE2 ASP 284.A OD2 no hydrogen 2.994 N/A THR 43.A N GLY 40.A O no hydrogen 3.064 N/A THR 43.A OG1 GLY 40.A O no hydrogen 2.765 N/A THR 44.A N GLN 41.A O no hydrogen 2.817 N/A THR 44.A OG1 GLN 41.A O no hydrogen 2.694 N/A THR 45.A N LEU 42.A O no hydrogen 3.143 N/A ILE 48.A N THR 58.A O no hydrogen 2.819 N/A ASP 54.A N TRP 51.A O no hydrogen 2.953 N/A THR 58.A OG1 ASP 54.A OD2 no hydrogen 2.580 N/A GLY 60.A N ASP 46.A O no hydrogen 2.837 N/A GLY 62.A N THR 59.A OG1 no hydrogen 2.843 N/A LEU 63.A N THR 59.A O no hydrogen 2.875 N/A MET 64.A N GLY 60.A O no hydrogen 2.976 N/A GLN 65.A N SER 61.A O no hydrogen 2.968 N/A GLN 65.A NE2 GLN 69.A OE1 no hydrogen 3.229 N/A ARG 66.A N GLY 62.A O no hydrogen 3.144 N/A ARG 66.A NH1 ASP 54.A OD2 no hydrogen 2.742 N/A ARG 66.A NH2 ASP 54.A OD1 no hydrogen 3.027 N/A ARG 66.A NH2 ASP 54.A OD2 no hydrogen 3.316 N/A MET 67.A N LEU 63.A O no hydrogen 3.041 N/A LEU 68.A N MET 64.A O no hydrogen 3.002 N/A GLN 69.A N GLN 65.A O no hydrogen 2.988 N/A HIS 70.A N ARG 66.A O no hydrogen 2.823 N/A ALA 71.A N MET 67.A O no hydrogen 2.905 N/A GLU 72.A N LEU 68.A O no hydrogen 2.973 N/A LYS 73.A N GLN 69.A O no hydrogen 2.833 N/A GLU 75.A N GLU 72.A O no hydrogen 2.888 N/A THR 76.A N ALA 71.A O no hydrogen 3.115 N/A THR 76.A OG1 ALA 71.A O no hydrogen 2.709 N/A GLU 77.A N PRO 30.A O no hydrogen 3.129 N/A VAL 79.A N LEU 32.A O no hydrogen 2.837 N/A HIS 82.A N ASP 81.A OD1 no hydrogen 2.726 N/A ASN 84.A N PHE 96.A O no hydrogen 2.756 N/A ASN 84.A ND2 ASP 98.A OD1 no hydrogen 2.837 N/A ARG 85.A N PHE 96.A O no hydrogen 3.258 N/A ASP 87.A N LYS 94.A O no hydrogen 2.840 N/A LEU 88.A N GLN 253.A OE1 no hydrogen 2.805 N/A SER 89.A N ASP 87.A OD1 no hydrogen 2.912 N/A SER 89.A OG ASP 87.A OD1 no hydrogen 2.573 N/A ARG 91.A NH2 GLU 277.A OE2 no hydrogen 3.218 N/A PHE 93.A N CYS 104.A O no hydrogen 2.830 N/A LYS 94.A N ASP 87.A O no hydrogen 3.202 N/A LEU 95.A N PHE 102.A O no hydrogen 2.895 N/A PHE 96.A N ARG 85.A O no hydrogen 2.809 N/A ASP 98.A N HIS 82.A O no hydrogen 2.842 N/A VAL 99.A N ASP 81.A OD1 no hydrogen 2.866 N/A GLN 100.A N ASP 81.A OD2 no hydrogen 2.886 N/A PHE 102.A N LEU 95.A O no hydrogen 2.823 N/A THR 103.A N LYS 3.A O no hydrogen 3.022 N/A THR 103.A OG1 HIS 4.A ND1 no hydrogen 2.753 N/A CYS 104.A N PHE 93.A O no hydrogen 3.049 N/A CYS 104.A SG ALA 106.A O no hydrogen 3.497 N/A ASP 105.A N ALA 5.A O no hydrogen 3.341 N/A ASP 105.A N LYS 6.A O no hydrogen 3.247 N/A ALA 106.A N LYS 6.A O no hydrogen 2.972 N/A LEU 107.A N GLY 278.A O no hydrogen 2.986 N/A ILE 108.A N LEU 8.A O no hydrogen 2.911 N/A ILE 109.A N PHE 280.A O no hydrogen 2.782 N/A ALA 110.A N LEU 10.A O no hydrogen 2.768 N/A THR 111.A OG1 ASN 246.A O no hydrogen 2.870 N/A SER 114.A N SER 244.A O no hydrogen 2.959 N/A SER 114.A OG ASN 246.A OD1 no hydrogen 2.634 N/A ARG 116.A N GLY 242.A O no hydrogen 2.897 N/A ARG 116.A NH2 ILE 241.A O no hydrogen 2.897 N/A ILE 118.A N GLU 123.A OE2 no hydrogen 2.749 N/A GLY 119.A N GLU 123.A OE1 no hydrogen 2.586 N/A LEU 120.A N GLU 123.A OE1 no hydrogen 3.239 N/A GLU 124.A N LEU 120.A O no hydrogen 3.020 N/A ASN 125.A N PRO 121.A O no hydrogen 2.841 N/A TYR 126.A N SER 122.A O no hydrogen 3.221 N/A TYR 126.A N GLU 123.A O no hydrogen 3.189 N/A TYR 126.A OH ASP 212.A O no hydrogen 2.805 N/A LYS 127.A N GLU 124.A O no hydrogen 3.125 N/A LYS 127.A NZ GLU 124.A OE1 no hydrogen 2.916 N/A GLY 128.A N VAL 131.A O no hydrogen 2.939 N/A ARG 129.A N TYR 126.A O no hydrogen 2.803 N/A ARG 129.A NH1 ASN 125.A O no hydrogen 3.192 N/A ARG 129.A NH2 MET 214.A O no hydrogen 3.146 N/A VAL 131.A N TYR 126.A O no hydrogen 3.053 N/A SER 132.A N LEU 237.A O no hydrogen 2.877 N/A SER 132.A OG CYS 134.A O no hydrogen 3.306 N/A SER 132.A OG ASP 138.A OD2 no hydrogen 2.606 N/A CYS 134.A N SER 132.A OG no hydrogen 3.045 N/A CYS 134.A SG THR 136.A OG1 no hydrogen 3.410 N/A ASP 138.A N CYS 134.A O no hydrogen 3.211 N/A GLY 139.A N ALA 135.A O no hydrogen 2.786 N/A PHE 141.A N ASP 138.A O no hydrogen 3.271 N/A TYR 142.A N GLY 139.A O no hydrogen 2.888 N/A ARG 143.A N PHE 140.A O.A no hydrogen 3.343 N/A ARG 143.A NH1 ILE 166.A O no hydrogen 3.103 N/A ASN 144.A N ILE 166.A O no hydrogen 2.881 N/A LYS 145.A N TYR 142.A O no hydrogen 2.963 N/A VAL 147.A N THR 169.A O no hydrogen 2.997 N/A GLY 148.A N GLY 236.A O no hydrogen 2.796 N/A VAL 149.A N HIS 171.A O no hydrogen 2.871 N/A ILE 150.A N PHE 238.A O no hydrogen 3.009 N/A GLY 151.A N ILE 173.A O no hydrogen 2.847 N/A VAL 157.A N GLY 153.A O no hydrogen 3.129 N/A GLU 158.A N ASN 154.A O.A no hydrogen 3.141 N/A GLU 158.A N ASN 154.A O.B no hydrogen 2.971 N/A GLU 159.A N THR 155.A O no hydrogen 2.933 N/A ALA 160.A N ALA 156.A O no hydrogen 2.898 N/A LEU 161.A N VAL 157.A O no hydrogen 2.905 N/A TYR 162.A N GLU 158.A O no hydrogen 2.881 N/A LEU 163.A N GLU 159.A O no hydrogen 2.891 N/A ALA 164.A N ALA 160.A O no hydrogen 2.968 N/A ALA 164.A N LEU 161.A O no hydrogen 3.290 N/A ASN 165.A N TYR 162.A O no hydrogen 3.205 N/A ILE 166.A N LEU 163.A O no hydrogen 2.900 N/A ALA 167.A N LEU 163.A O no hydrogen 2.868 N/A SER 168.A N LYS 145.A O no hydrogen 2.956 N/A VAL 170.A N LYS 197.A O no hydrogen 3.013 N/A HIS 171.A N VAL 147.A O no hydrogen 2.812 N/A HIS 171.A ND1 HIS 201.A NE2 no hydrogen 2.921 N/A LEU 172.A N VAL 199.A O no hydrogen 2.896 N/A ILE 173.A N VAL 149.A O no hydrogen 2.772 N/A HIS 174.A N HIS 201.A O no hydrogen 3.010 N/A ARG 180.A N GLY 152.A O no hydrogen 2.829 N/A ARG 180.A NE ASN 154.A OD1.B no hydrogen 3.114 N/A ARG 180.A NH1 ASN 154.A OD1.B no hydrogen 2.755 N/A GLU 182.A N ASN 154.A OD1.A no hydrogen 2.847 N/A LEU 185.A N GLU 182.A O no hydrogen 2.811 N/A ILE 186.A N GLU 182.A O no hydrogen 2.983 N/A ASP 187.A N LYS 183.A O no hydrogen 2.872 N/A ARG 188.A N ILE 184.A O no hydrogen 3.185 N/A ARG 188.A NH1 GLU 49.A OE1 no hydrogen 2.895 N/A ARG 188.A NH2 GLU 49.A OE1 no hydrogen 3.051 N/A ARG 188.A NH2 GLU 49.A OE2 no hydrogen 3.375 N/A LEU 189.A N LEU 185.A O no hydrogen 2.740 N/A TYR 190.A N ILE 186.A O no hydrogen 2.965 N/A LYS 191.A N ASP 187.A O no hydrogen 3.094 N/A LYS 192.A N ARG 188.A O no hydrogen 3.117 N/A VAL 193.A N LEU 189.A O no hydrogen 2.941 N/A GLU 194.A N TYR 190.A O no hydrogen 2.837 N/A GLU 195.A N LYS 191.A O no hydrogen 2.943 N/A GLY 196.A N VAL 193.A O no hydrogen 2.996 N/A LYS 197.A N LYS 192.A O no hydrogen 2.926 N/A LYS 197.A NZ ALA 167.A O no hydrogen 3.302 N/A LYS 197.A NZ SER 168.A O no hydrogen 2.973 N/A ILE 198.A N LYS 192.A O no hydrogen 3.280 N/A VAL 199.A N VAL 170.A O no hydrogen 2.775 N/A HIS 201.A N LEU 172.A O no hydrogen 2.769 N/A HIS 201.A NE2 HIS 171.A ND1 no hydrogen 2.921 N/A ASP 203.A N ARG 176.A O no hydrogen 2.999 N/A ARG 204.A N HIS 174.A O no hydrogen 2.911 N/A ARG 204.A NE GLU 230.A OE1 no hydrogen 3.291 N/A ARG 204.A NE GLU 230.A OE2 no hydrogen 3.342 N/A ARG 204.A NH1 ASP 203.A O no hydrogen 3.056 N/A ARG 204.A NH2 GLU 230.A OE1 no hydrogen 3.384 N/A THR 205.A N ALA 222.A O no hydrogen 2.986 N/A ASP 207.A N ARG 220.A O no hydrogen 2.656 N/A GLU 208.A N ARG 220.A O no hydrogen 3.217 N/A VAL 209.A N SER 122.A OG no hydrogen 2.863 N/A LEU 210.A N GLY 218.A O no hydrogen 2.748 N/A ASP 212.A N GLY 215.A O no hydrogen 3.052 N/A MET 214.A N ASP 212.A OD1 no hydrogen 2.719 N/A GLY 215.A N ASP 212.A OD1 no hydrogen 3.009 N/A THR 217.A N LEU 210.A O no hydrogen 2.802 N/A GLY 218.A N LEU 210.A O no hydrogen 3.191 N/A LEU 219.A N LEU 232.A O no hydrogen 2.867 N/A ARG 220.A N GLU 208.A O no hydrogen 2.858 N/A ARG 220.A NE GLU 231.A OE2 no hydrogen 3.512 N/A ARG 220.A NH1 ASP 207.A OD2 no hydrogen 3.092 N/A ARG 220.A NH1 GLU 208.A OE1 no hydrogen 2.812 N/A ARG 220.A NH2 GLU 208.A OE1 no hydrogen 3.386 N/A LEU 221.A N GLU 230.A O no hydrogen 2.737 N/A ALA 222.A N THR 205.A O no hydrogen 2.833 N/A ASN 223.A N GLU 228.A O no hydrogen 2.898 N/A THR 224.A N ASP 203.A O no hydrogen 2.930 N/A THR 224.A OG1 ASP 203.A O no hydrogen 3.369 N/A LYS 225.A N ASN 223.A OD1 no hydrogen 2.808 N/A THR 226.A N ASN 223.A OD1 no hydrogen 3.146 N/A GLY 227.A N ASN 223.A O no hydrogen 2.875 N/A GLU 228.A N THR 226.A OG1 no hydrogen 3.110 N/A GLU 230.A N LEU 221.A O no hydrogen 2.873 N/A LEU 232.A N LEU 219.A O no hydrogen 2.857 N/A LEU 234.A N THR 217.A O no hydrogen 3.155 N/A ASP 235.A N PRO 146.A O no hydrogen 2.856 N/A LEU 237.A N GLY 130.A O no hydrogen 2.749 N/A PHE 238.A N GLY 148.A O no hydrogen 2.812 N/A VAL 239.A N SER 132.A O no hydrogen 2.843 N/A ALA 240.A N ILE 150.A O no hydrogen 2.848 N/A SER 244.A N SER 114.A O no hydrogen 2.750 N/A ASN 246.A N GLY 112.A O no hydrogen 2.891 N/A ASN 246.A ND2 THR 111.A O no hydrogen 2.819 N/A THR 247.A N PRO 245.A O no hydrogen 3.004 N/A THR 247.A OG1 GLY 259.A O no hydrogen 2.564 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.605 N/A PHE 250.A N THR 247.A O no hydrogen 2.844 N/A GLN 251.A N GLU 248.A O no hydrogen 3.218 N/A GLN 253.A N PHE 250.A O no hydrogen 2.816 N/A LEU 254.A N PHE 250.A O no hydrogen 3.284 N/A GLU 255.A N SER 275.A OG no hydrogen 2.797 N/A ASN 257.A N TYR 260.A O no hydrogen 2.786 N/A TYR 260.A N ASN 257.A O no hydrogen 2.978 N/A ILE 261.A N VAL 285.A O no hydrogen 2.977 N/A VAL 262.A N GLU 255.A O no hydrogen 3.082 N/A LYS 264.A N ALA 273.A O no hydrogen 2.840 N/A LYS 264.A NZ GLY 269.A O no hydrogen 3.140 N/A SER 265.A N ALA 271.A O no hydrogen 2.753 N/A THR 272.A N ASP 306.A OD2 no hydrogen 2.921 N/A THR 272.A OG1 ASP 306.A OD2 no hydrogen 2.726 N/A ALA 273.A N ASN 270.A O no hydrogen 3.182 N/A THR 274.A N VAL 279.A O no hydrogen 2.967 N/A THR 274.A OG1 VAL 276.A O no hydrogen 3.109 N/A THR 274.A OG1 VAL 279.A O no hydrogen 2.782 N/A VAL 276.A N THR 274.A OG1 no hydrogen 3.147 N/A VAL 279.A N VAL 276.A O no hydrogen 3.110 N/A PHE 280.A N LEU 107.A O no hydrogen 2.809 N/A ALA 281.A N THR 272.A O no hydrogen 2.960 N/A ALA 282.A N ILE 109.A O no hydrogen 2.928 N/A GLY 283.A N THR 299.A OG1 no hydrogen 2.804 N/A MET 286.A N GLY 283.A O no hydrogen 2.996 N/A ASP 287.A N ASP 284.A O no hydrogen 3.188 N/A ASN 289.A N ASP 287.A OD1 no hydrogen 2.790 N/A TYR 290.A N ASP 287.A OD1 no hydrogen 2.815 N/A TYR 290.A N ASP 287.A OD2 no hydrogen 3.334 N/A ARG 291.A N ASP 287.A OD2 no hydrogen 2.620 N/A ARG 291.A NE ASP 287.A O no hydrogen 3.065 N/A ARG 291.A NH1 HIS 243.A O no hydrogen 3.407 N/A ARG 291.A NH2 HIS 243.A O no hydrogen 2.616 N/A ARG 291.A NH2 TYR 260.A OH no hydrogen 2.612 N/A GLN 292.A N THR 295.A OG1 no hydrogen 3.258 N/A GLN 292.A NE2 TYR 290.A O no hydrogen 2.982 N/A THR 295.A OG1 GLN 292.A O no hydrogen 3.132 N/A SER 296.A N GLN 292.A O no hydrogen 2.939 N/A SER 296.A OG GLN 292.A O no hydrogen 2.806 N/A ALA 297.A N ALA 293.A O no hydrogen 2.790 N/A GLY 298.A N ILE 294.A O no hydrogen 3.032 N/A THR 299.A N THR 295.A O no hydrogen 3.029 N/A THR 299.A OG1 THR 295.A O no hydrogen 3.374 N/A THR 299.A OG1 SER 296.A O no hydrogen 3.065 N/A GLY 300.A N SER 296.A O no hydrogen 2.866 N/A CYS 301.A N ALA 297.A O no hydrogen 2.972 N/A MET 302.A N GLY 298.A O no hydrogen 3.107 N/A ALA 303.A N THR 299.A O no hydrogen 2.860 N/A ALA 304.A N GLY 300.A O no hydrogen 3.115 N/A LEU 305.A N CYS 301.A O no hydrogen 3.015 N/A ASP 306.A N MET 302.A O no hydrogen 2.777 N/A ALA 307.A N ALA 303.A O no hydrogen 2.800 N/A GLU 308.A N ALA 304.A O no hydrogen 2.880 N/A ARG 309.A N LEU 305.A O no hydrogen 3.056 N/A TYR 310.A N ASP 306.A O no hydrogen 2.964 N/A LEU 311.A N ALA 307.A O no hydrogen 2.956 N/A ASP 312.A N GLU 308.A O no hydrogen 2.913 N/A ALA 313.A N ARG 309.A O no hydrogen 3.150 N/A GLN 314.A N TYR 310.A O no hydrogen 3.251 N/A GLN 314.A N LEU 311.A O no hydrogen 3.112 N/A GLU 315.A N ASP 312.A O no hydrogen 3.244 N/A