Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r58_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N MET 11.A O no hydrogen 2.714 N/A LEU 5.A N HIS 9.A O no hydrogen 2.776 N/A ASN 6.A ND2 PRO 168.A O no hydrogen 3.440 N/A ASN 6.A ND2 ASP 192.A O no hydrogen 3.174 N/A GLY 8.A N LEU 5.A O no hydrogen 2.971 N/A HIS 9.A N ASP 7.A OD1 no hydrogen 3.048 N/A MET 11.A N VAL 3.A O no hydrogen 2.788 N/A VAL 13.A N GLN 1.A O no hydrogen 3.137 N/A GLY 15.A N VAL 249.A O no hydrogen 2.844 N/A PHE 16.A N HIS 43.A O no hydrogen 2.803 N/A GLY 17.A N ALA 251.A O no hydrogen 2.844 N/A THR 18.A OG1 ASP 45.A O no hydrogen 2.602 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 3.049 N/A VAL 24.A N PRO 21.A O no hydrogen 2.832 N/A ARG 26.A NE VAL 24.A O no hydrogen 3.453 N/A ARG 26.A NH1 ASN 51.A O no hydrogen 3.297 N/A ARG 26.A NH2 ALA 20.A O no hydrogen 3.337 N/A ARG 26.A NH2 VAL 24.A O no hydrogen 3.015 N/A LYS 28.A N PRO 25.A O no hydrogen 2.834 N/A GLU 31.A N SER 27.A O no hydrogen 3.426 N/A VAL 32.A N LYS 28.A O no hydrogen 2.769 N/A THR 33.A N ALA 29.A O no hydrogen 3.012 N/A THR 33.A OG1 ALA 29.A O no hydrogen 2.719 N/A LYS 34.A N LEU 30.A O no hydrogen 3.085 N/A LEU 35.A N GLU 31.A O no hydrogen 3.022 N/A ALA 36.A N VAL 32.A O no hydrogen 2.866 N/A ILE 37.A N THR 33.A O no hydrogen 3.060 N/A GLU 38.A N LYS 34.A O no hydrogen 2.995 N/A ALA 39.A N LEU 35.A O no hydrogen 2.779 N/A GLY 40.A N ALA 36.A O no hydrogen 3.102 N/A GLY 40.A N ILE 37.A O no hydrogen 3.048 N/A PHE 41.A N ALA 36.A O no hydrogen 2.913 N/A ARG 42.A NH1 ILE 37.A O no hydrogen 2.762 N/A ARG 42.A NH1 PHE 41.A O no hydrogen 2.854 N/A HIS 43.A ND1 PRO 12.A O no hydrogen 3.049 N/A ILE 44.A N PHE 75.A O no hydrogen 2.858 N/A ASP 45.A N PHE 16.A O no hydrogen 2.903 N/A SER 46.A N THR 77.A O no hydrogen 3.013 N/A SER 46.A OG ASN 52.A OD1 no hydrogen 2.605 N/A ALA 47.A N SER 46.A OG no hydrogen 2.799 N/A HIS 48.A N LYS 79.A O no hydrogen 3.452 N/A TYR 50.A N ALA 47.A O no hydrogen 3.197 N/A ASN 51.A N HIS 48.A O no hydrogen 3.402 N/A ASN 52.A ND2 THR 18.A OG1 no hydrogen 3.125 N/A GLN 55.A N GLN 55.A OE1.A no hydrogen 2.602 N/A VAL 56.A N ASN 52.A O no hydrogen 2.886 N/A GLY 57.A N GLU 53.A O no hydrogen 2.833 N/A LEU 58.A N GLU 54.A O no hydrogen 2.833 N/A ALA 59.A N GLN 55.A O no hydrogen 2.892 N/A ILE 60.A N VAL 56.A O no hydrogen 2.976 N/A ARG 61.A N GLY 57.A O no hydrogen 2.695 N/A ARG 61.A NE ALA 101.A O no hydrogen 3.150 N/A SER 62.A N LEU 58.A O no hydrogen 2.784 N/A LYS 63.A N ALA 59.A O no hydrogen 3.153 N/A LYS 63.A N ILE 60.A O no hydrogen 3.186 N/A ILE 64.A N ILE 60.A O no hydrogen 3.029 N/A ALA 65.A N ARG 61.A O no hydrogen 2.915 N/A ASP 66.A N SER 62.A O no hydrogen 3.076 N/A GLY 67.A N ILE 64.A O no hydrogen 2.978 N/A SER 68.A N ASP 66.A OD1 no hydrogen 2.982 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.779 N/A VAL 69.A N LYS 63.A O no hydrogen 3.303 N/A LYS 70.A N ASP 73.A OD2 no hydrogen 2.754 N/A ARG 71.A NH1 ARG 71.A O no hydrogen 3.069 N/A ARG 71.A NH1 ILE 74.A O no hydrogen 3.029 N/A ARG 71.A NH1 ASP 107.A OD2 no hydrogen 2.880 N/A ARG 71.A NH2 TYR 105.A O no hydrogen 2.795 N/A ARG 71.A NH2 ASP 107.A OD2 no hydrogen 3.038 N/A GLU 72.A N GLU 72.A OE2 no hydrogen 3.059 N/A ASP 73.A N LYS 70.A O no hydrogen 2.403 N/A ILE 74.A N ARG 71.A O no hydrogen 2.821 N/A PHE 75.A N ARG 42.A O no hydrogen 2.709 N/A TYR 76.A N ASP 107.A OD2 no hydrogen 2.898 N/A TYR 76.A OH GLU 53.A OE2 no hydrogen 3.070 N/A THR 77.A N ILE 44.A O no hydrogen 2.991 N/A SER 78.A N LEU 108.A O no hydrogen 2.946 N/A SER 78.A OG GLU 53.A OE2 no hydrogen 2.636 N/A LYS 79.A NZ ASP 45.A OD1 no hydrogen 3.134 N/A LYS 79.A NZ ASP 45.A OD2 no hydrogen 2.522 N/A LYS 79.A NZ SER 46.A O no hydrogen 2.907 N/A LYS 79.A NZ TYR 50.A OH no hydrogen 3.232 N/A LEU 80.A N LEU 110.A O no hydrogen 2.683 N/A PHE 84.A N TRP 81.A O no hydrogen 2.857 N/A HIS 85.A ND1 SER 116.A OG no hydrogen 2.735 N/A ARG 86.A NE ASP 122.A OD2 no hydrogen 3.075 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.644 N/A LEU 89.A N ARG 86.A O no hydrogen 2.808 N/A VAL 90.A N PRO 87.A O no hydrogen 3.280 N/A ARG 91.A NE GLU 95.A OE2 no hydrogen 2.705 N/A ARG 91.A NH2 GLU 95.A OE2 no hydrogen 3.306 N/A ALA 93.A N LEU 89.A O no hydrogen 3.017 N/A LEU 94.A N VAL 90.A O no hydrogen 2.980 N/A GLU 95.A N ARG 91.A O no hydrogen 2.881 N/A ASN 96.A N PRO 92.A O no hydrogen 2.843 N/A SER 97.A N ALA 93.A O no hydrogen 3.032 N/A SER 97.A OG GLU 53.A OE1 no hydrogen 2.898 N/A SER 97.A OG GLU 53.A OE2 no hydrogen 3.333 N/A SER 97.A OG ALA 93.A O no hydrogen 3.524 N/A LEU 98.A N LEU 94.A O no hydrogen 2.900 N/A LYS 99.A N GLU 95.A O no hydrogen 2.916 N/A LYS 100.A N ASN 96.A O no hydrogen 2.842 N/A ALA 101.A N SER 97.A O no hydrogen 2.906 N/A GLN 102.A N LYS 99.A O no hydrogen 3.178 N/A GLN 102.A NE2 LYS 99.A O no hydrogen 2.764 N/A LEU 103.A N LEU 98.A O no hydrogen 3.176 N/A VAL 106.A N LEU 141.A O no hydrogen 2.908 N/A ASP 107.A N TYR 76.A O no hydrogen 2.958 N/A LEU 108.A N TYR 76.A O no hydrogen 3.364 N/A TYR 109.A N SER 144.A O no hydrogen 3.034 N/A LEU 110.A N SER 78.A O no hydrogen 3.225 N/A ILE 111.A N GLY 146.A O no hydrogen 3.044 N/A HIS 112.A N LEU 80.A O no hydrogen 3.202 N/A MET 115.A N SER 113.A OG no hydrogen 3.092 N/A SER 116.A OG HIS 85.A ND1 no hydrogen 2.735 N/A LEU 117.A N SER 82.A O no hydrogen 2.766 N/A LYS 118.A N ILE 120.A O no hydrogen 2.999 N/A ASP 122.A N SER 116.A O no hydrogen 2.976 N/A CYS 127.A N ASP 125.A OD1 no hydrogen 2.989 N/A CYS 127.A SG MET 157.A O no hydrogen 3.825 N/A THR 128.A N ASP 125.A O no hydrogen 2.855 N/A THR 128.A OG1 ASP 125.A O no hydrogen 2.420 N/A THR 129.A N ASP 125.A O no hydrogen 3.358 N/A THR 129.A OG1 HIS 85.A O no hydrogen 2.806 N/A THR 129.A OG1 ASP 125.A O no hydrogen 3.566 N/A TRP 130.A N LEU 126.A O no hydrogen 2.826 N/A TRP 130.A NE1 TYR 166.A O no hydrogen 2.740 N/A GLU 131.A N CYS 127.A O no hydrogen 3.031 N/A ALA 132.A N THR 128.A O no hydrogen 3.192 N/A MET 133.A N THR 129.A O no hydrogen 2.966 N/A GLU 134.A N TRP 130.A O no hydrogen 2.783 N/A LYS 135.A N GLU 131.A O no hydrogen 3.154 N/A CYS 136.A N ALA 132.A O no hydrogen 3.193 N/A CYS 136.A SG ALA 132.A O no hydrogen 3.439 N/A LYS 137.A N MET 133.A O no hydrogen 3.175 N/A LYS 137.A NZ ASP 7.A OD2 no hydrogen 3.166 N/A LYS 137.A NZ LYS 143.A O no hydrogen 2.503 N/A ASP 138.A N GLU 134.A O no hydrogen 2.983 N/A ALA 139.A N LYS 135.A O no hydrogen 2.861 N/A GLY 140.A N LYS 137.A O no hydrogen 2.916 N/A LEU 141.A N CYS 136.A O no hydrogen 2.938 N/A ALA 142.A N CYS 136.A O no hydrogen 3.465 N/A LYS 143.A N VAL 106.A O no hydrogen 2.968 N/A SER 144.A N ASP 107.A O no hydrogen 2.833 N/A SER 144.A OG ASP 7.A OD2 no hydrogen 2.776 N/A GLY 146.A N TYR 109.A O no hydrogen 2.966 N/A VAL 147.A N CYS 170.A O no hydrogen 3.095 N/A SER 148.A OG HIS 112.A O no hydrogen 3.244 N/A SER 148.A OG GLN 172.A O no hydrogen 2.915 N/A ASN 149.A N GLN 172.A O no hydrogen 2.734 N/A ASN 149.A ND2 HIS 112.A O no hydrogen 2.928 N/A PHE 150.A N ASN 171.A OD1 no hydrogen 3.296 N/A ASN 151.A N GLN 154.A OE1 no hydrogen 2.929 N/A ASN 151.A ND2 PRO 300.A O no hydrogen 2.860 N/A GLN 154.A N ASN 151.A OD1 no hydrogen 2.888 N/A GLN 154.A NE2 ASN 298.A O no hydrogen 2.843 N/A LEU 155.A N ASN 151.A O no hydrogen 2.926 N/A GLU 156.A N ARG 152.A O no hydrogen 2.916 N/A MET 157.A N ARG 153.A O no hydrogen 2.947 N/A ILE 158.A N GLN 154.A O no hydrogen 3.478 N/A LEU 159.A N LEU 155.A O no hydrogen 3.022 N/A ASN 160.A N GLU 156.A O no hydrogen 2.898 N/A LYS 161.A N ILE 158.A O no hydrogen 3.136 N/A LYS 161.A NZ GLU 131.A OE2 no hydrogen 2.565 N/A LYS 161.A NZ PRO 162.A O no hydrogen 3.285 N/A LEU 164.A N LYS 161.A O no hydrogen 3.292 N/A LYS 165.A N GLU 134.A OE2 no hydrogen 2.854 N/A LYS 165.A NZ ASP 138.A OD1 no hydrogen 3.255 N/A TYR 166.A N GLU 134.A OE2 no hydrogen 2.853 N/A TYR 166.A OH ASP 138.A OD1 no hydrogen 2.662 N/A LYS 167.A NZ LYS 191.A O no hydrogen 2.711 N/A VAL 169.A N ILE 145.A O no hydrogen 2.866 N/A ASN 171.A N VAL 194.A O no hydrogen 2.949 N/A ASN 171.A ND2 PHE 150.A O no hydrogen 2.760 N/A GLN 172.A N VAL 147.A O no hydrogen 3.008 N/A GLN 172.A NE2 ASP 45.A OD1 no hydrogen 2.929 N/A VAL 173.A N VAL 196.A O no hydrogen 3.008 N/A CYS 175.A N TYR 198.A O no hydrogen 3.305 N/A CYS 175.A SG ASN 180.A O no hydrogen 3.499 N/A HIS 176.A N PHE 179.A O no hydrogen 3.157 N/A HIS 176.A NE2 GLU 174.A OE2 no hydrogen 2.731 N/A TYR 178.A OH ASP 220.A OD1 no hydrogen 2.503 N/A PHE 179.A N HIS 176.A O no hydrogen 2.737 N/A ASN 180.A N ASP 282.A OD1 no hydrogen 2.846 N/A ARG 181.A NH1 GLU 174.A O no hydrogen 2.764 N/A SER 182.A N.A ASN 180.A OD1 no hydrogen 2.998 N/A SER 182.A N.B ASN 180.A OD1 no hydrogen 3.011 N/A SER 182.A OG.A ASN 180.A OD1 no hydrogen 2.522 N/A SER 182.A OG.B ASN 180.A OD1 no hydrogen 3.516 N/A LEU 185.A N ARG 181.A O no hydrogen 2.705 N/A ASP 186.A N SER 182.A O.A no hydrogen 2.784 N/A ASP 186.A N SER 182.A O.B no hydrogen 2.981 N/A PHE 187.A N LYS 183.A O no hydrogen 2.927 N/A CYS 188.A N LEU 184.A O no hydrogen 3.012 N/A CYS 188.A SG LEU 184.A O no hydrogen 3.513 N/A LYS 189.A N LEU 185.A O no hydrogen 2.881 N/A LYS 189.A NZ ARG 245.A O no hydrogen 2.935 N/A SER 190.A N ASP 186.A O no hydrogen 3.100 N/A SER 190.A OG PHE 187.A O no hydrogen 2.618 N/A LYS 191.A N CYS 188.A O no hydrogen 2.919 N/A ASP 192.A N LYS 189.A O no hydrogen 3.000 N/A ILE 193.A N CYS 188.A O no hydrogen 2.907 N/A VAL 194.A N VAL 169.A O no hydrogen 3.023 N/A VAL 196.A N ASN 171.A O no hydrogen 2.991 N/A ALA 197.A N VAL 248.A O no hydrogen 2.745 N/A TYR 198.A N VAL 173.A O no hydrogen 2.946 N/A TYR 198.A OH ASN 149.A OD1 no hydrogen 2.616 N/A GLY 202.A N SER 199.A O no hydrogen 3.085 N/A SER 203.A OG GLY 202.A O no hydrogen 2.437 N/A GLN 204.A NE2 TYR 19.A O no hydrogen 2.986 N/A ARG 205.A N SER 203.A OG no hydrogen 2.857 N/A ARG 205.A NH1 SER 214.A O no hydrogen 3.396 N/A ARG 205.A NH1 PRO 215.A O no hydrogen 3.148 N/A ARG 205.A NH2 SER 214.A O no hydrogen 2.718 N/A ARG 208.A N ASP 206.A OD1 no hydrogen 3.018 N/A ARG 208.A NE ASP 206.A OD1 no hydrogen 2.972 N/A ARG 208.A NH2 TYR 19.A OH no hydrogen 2.751 N/A ARG 208.A NH2 ASP 206.A OD2 no hydrogen 3.036 N/A TRP 209.A N ASP 206.A O no hydrogen 2.897 N/A VAL 210.A N ASP 206.A O no hydrogen 2.813 N/A ASN 213.A N ASP 211.A OD1 no hydrogen 3.066 N/A ASN 213.A ND2 ASP 211.A OD1 no hydrogen 2.631 N/A SER 214.A N ASP 211.A O no hydrogen 2.852 N/A SER 214.A OG ASP 211.A O no hydrogen 2.830 N/A GLU 219.A N VAL 216.A O no hydrogen 2.969 N/A ASP 220.A N LEU 217.A O no hydrogen 3.024 N/A VAL 222.A N ASP 220.A OD2 no hydrogen 2.903 N/A LEU 223.A N ASP 220.A OD2 no hydrogen 3.287 N/A CYS 224.A N ASP 220.A O no hydrogen 2.926 N/A CYS 224.A SG.A ASP 220.A O no hydrogen 3.067 N/A ALA 225.A N PRO 221.A O no hydrogen 2.837 N/A LEU 226.A N VAL 222.A O no hydrogen 3.016 N/A ALA 227.A N LEU 223.A O no hydrogen 2.915 N/A LYS 228.A N CYS 224.A O no hydrogen 2.912 N/A LYS 229.A N ALA 225.A O no hydrogen 3.042 N/A LYS 229.A NZ ASP 274.A OD1 no hydrogen 2.712 N/A HIS 230.A N LEU 226.A O no hydrogen 2.925 N/A HIS 230.A NE2 ASP 274.A OD2 no hydrogen 2.760 N/A LYS 231.A N LYS 228.A O no hydrogen 3.163 N/A ARG 232.A N ALA 227.A O no hydrogen 2.905 N/A ARG 232.A NH1 GLN 264.A OE1 no hydrogen 2.909 N/A ARG 232.A NH1 GLU 267.A OE1 no hydrogen 3.513 N/A THR 233.A OG1 GLN 261.A OE1 no hydrogen 2.568 N/A LEU 236.A N THR 233.A OG1 no hydrogen 3.207 N/A ILE 237.A N THR 233.A O no hydrogen 3.103 N/A ALA 238.A N PRO 234.A O no hydrogen 3.027 N/A LEU 239.A N ALA 235.A O no hydrogen 2.990 N/A ARG 240.A N LEU 236.A O no hydrogen 2.757 N/A ARG 240.A NE GLN 244.A OE1 no hydrogen 2.891 N/A ARG 240.A NH1 VAL 265.A O no hydrogen 3.117 N/A TYR 241.A N ILE 237.A O no hydrogen 2.872 N/A TYR 241.A OH ASP 279.A OD1 no hydrogen 2.789 N/A GLN 242.A N LEU 239.A O no hydrogen 3.128 N/A LEU 243.A N LEU 239.A O no hydrogen 3.349 N/A GLN 244.A N ARG 240.A O no hydrogen 3.115 N/A GLN 244.A NE2 LEU 270.A O no hydrogen 3.086 N/A ARG 245.A N TYR 241.A O no hydrogen 3.202 N/A ARG 245.A NE.B GLN 242.A OE1 no hydrogen 3.311 N/A ARG 245.A NH1.A ASN 180.A O no hydrogen 2.561 N/A ARG 245.A NH1.A GLN 242.A OE1 no hydrogen 3.380 N/A ARG 245.A NH1.B ASN 180.A O no hydrogen 2.639 N/A ARG 245.A NH2.A ASN 180.A O no hydrogen 3.071 N/A ARG 245.A NH2.B ASN 180.A O no hydrogen 2.810 N/A ARG 245.A NH2.B GLN 242.A OE1 no hydrogen 2.699 N/A GLY 246.A N LEU 243.A O no hydrogen 2.981 N/A VAL 247.A N GLN 242.A O no hydrogen 2.964 N/A VAL 248.A N LEU 195.A O no hydrogen 3.057 N/A VAL 249.A N VAL 13.A O no hydrogen 2.858 N/A LEU 250.A N ALA 197.A O no hydrogen 3.119 N/A ALA 251.A N GLY 15.A O no hydrogen 2.852 N/A LYS 252.A NZ GLN 204.A OE1 no hydrogen 3.246 N/A SER 253.A OG ASN 255.A O no hydrogen 3.475 N/A TYR 254.A OH THR 18.A O no hydrogen 2.667 N/A ASN 255.A N SER 253.A OG no hydrogen 3.107 N/A GLN 257.A N ASN 255.A OD1 no hydrogen 2.909 N/A ARG 258.A N ASN 255.A OD1 no hydrogen 3.003 N/A ILE 259.A N ASN 255.A O no hydrogen 2.918 N/A ARG 260.A N GLU 256.A O no hydrogen 3.460 N/A ARG 260.A NE GLU 256.A OE2 no hydrogen 3.419 N/A ARG 260.A NH2 GLU 256.A OE2 no hydrogen 3.366 N/A GLN 261.A N GLN 257.A O no hydrogen 2.825 N/A ASN 262.A N ARG 258.A O no hydrogen 2.877 N/A ASN 262.A N ILE 259.A O no hydrogen 3.299 N/A VAL 263.A N ARG 260.A O no hydrogen 3.316 N/A GLN 264.A N GLN 261.A O no hydrogen 2.917 N/A VAL 265.A N ASN 262.A O no hydrogen 3.253 N/A PHE 266.A N VAL 263.A O no hydrogen 3.360 N/A GLU 267.A N GLN 264.A O no hydrogen 2.838 N/A LEU 270.A N GLN 244.A OE1 no hydrogen 2.837 N/A THR 271.A N ASP 274.A OD2 no hydrogen 2.850 N/A THR 271.A OG1 GLU 273.A OE1 no hydrogen 3.461 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.762 N/A ASP 274.A N THR 271.A OG1 no hydrogen 3.378 N/A MET 275.A N THR 271.A O no hydrogen 2.917 N/A LYS 276.A N ALA 272.A O no hydrogen 3.003 N/A ALA 277.A N GLU 273.A O no hydrogen 3.024 N/A ILE 278.A N ASP 274.A O no hydrogen 2.990 N/A ASP 279.A N MET 275.A O no hydrogen 2.903 N/A GLY 280.A N ALA 277.A O no hydrogen 3.178 N/A LEU 281.A N ILE 278.A O no hydrogen 3.071 N/A ARG 283.A N TYR 178.A O no hydrogen 2.865 N/A ARG 283.A NE LEU 281.A O no hydrogen 3.122 N/A ARG 283.A NH2 LEU 281.A O no hydrogen 3.357 N/A LEU 285.A N TYR 178.A O no hydrogen 3.121 N/A HIS 286.A ND1 PHE 288.A O no hydrogen 2.790 N/A TYR 287.A N GLU 174.A OE2 no hydrogen 2.625 N/A TYR 287.A OH PRO 215.A O no hydrogen 2.927 N/A PHE 288.A N GLU 174.A OE1 no hydrogen 3.437 N/A ASN 289.A N TRP 209.A O no hydrogen 2.960 N/A SER 290.A OG SER 292.A OG no hydrogen 3.042 N/A SER 292.A N SER 290.A OG no hydrogen 3.212 N/A SER 292.A OG SER 290.A OG no hydrogen 3.042 N/A PHE 293.A N SER 290.A O no hydrogen 3.039 N/A ALA 294.A N SER 290.A O no hydrogen 2.883 N/A SER 295.A N ASP 291.A O no hydrogen 3.348 N/A SER 295.A OG ASP 291.A O no hydrogen 3.070 N/A HIS 296.A N PHE 293.A O no hydrogen 2.962 N/A HIS 296.A NE2 SER 116.A O no hydrogen 2.846 N/A ASN 298.A N HIS 296.A ND1 no hydrogen 2.990 N/A TYR 299.A N HIS 296.A O no hydrogen 2.896 N/A SER 302.A N TYR 299.A O no hydrogen 3.425 N/A SER 302.A OG TYR 299.A O no hydrogen 3.253 N/A