Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r8f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N VAL 105.A O no hydrogen 3.415 N/A LEU 3.A N ARG 103.A O no hydrogen 2.978 N/A ALA 4.A N LEU 101.A O no hydrogen 2.954 N/A CYS 5.A N GLU 2.A O no hydrogen 2.980 N/A CYS 5.A SG GLU 2.A OE1 no hydrogen 3.401 N/A PHE 6.A N LEU 3.A O no hydrogen 3.102 N/A CYS 7.A SG LEU 3.A O no hydrogen 3.875 N/A TYR 8.A N ILE 19.A O no hydrogen 3.001 N/A GLU 12.A N SER 15.A O no hydrogen 3.057 N/A LYS 17.A N HIS 10.A O no hydrogen 3.176 N/A LYS 17.A NZ SER 15.A OG no hydrogen 3.100 N/A PHE 18.A N ASN 88.A OD1 no hydrogen 2.815 N/A ILE 19.A N TYR 8.A O no hydrogen 3.025 N/A PHE 21.A N PHE 6.A O no hydrogen 3.180 N/A ASN 22.A ND2 TYR 48.A O no hydrogen 2.828 N/A ALA 25.A N ASN 22.A O no hydrogen 3.053 N/A ILE 26.A N ASN 22.A O no hydrogen 3.350 N/A ILE 26.A N ASN 23.A O no hydrogen 3.094 N/A LYS 27.A N ASN 23.A O no hydrogen 3.039 N/A LYS 27.A NZ GLU 72.A OE2 no hydrogen 2.598 N/A ALA 28.A N LEU 24.A O no hydrogen 3.019 N/A MET 29.A N ALA 25.A O no hydrogen 3.128 N/A LEU 30.A N ILE 26.A O no hydrogen 2.915 N/A THR 31.A N ALA 28.A O no hydrogen 2.840 N/A THR 31.A OG1 ALA 28.A O no hydrogen 2.820 N/A ALA 32.A N MET 29.A O no hydrogen 2.950 N/A LYS 37.A NZ ASP 38.A OD2 no hydrogen 3.072 N/A ASP 38.A N ASP 35.A O no hydrogen 2.766 N/A ASP 40.A N ASP 40.A OD1 no hydrogen 2.655 N/A LYS 41.A N ASP 38.A O no hydrogen 2.799 N/A LYS 41.A NZ LYS 37.A O no hydrogen 2.600 N/A LYS 41.A NZ ASP 40.A OD1 no hydrogen 3.335 N/A TYR 43.A N ALA 51.A O no hydrogen 3.019 N/A SER 45.A N GLY 49.A O no hydrogen 3.067 N/A SER 45.A OG GLY 49.A O no hydrogen 2.607 N/A ILE 46.A N ASP 44.A OD1 no hydrogen 2.918 N/A TYR 48.A N SER 45.A OG no hydrogen 2.890 N/A ALA 51.A N TYR 43.A O no hydrogen 2.634 N/A GLN 55.A N MET 39.A O no hydrogen 3.074 N/A PHE 56.A N PRO 53.A O no hydrogen 2.976 N/A LYS 57.A N PRO 54.A O no hydrogen 3.364 N/A ARG 59.A N PHE 56.A O no hydrogen 2.690 N/A ARG 59.A NE GLU 2.A OE1 no hydrogen 3.165 N/A ARG 59.A NH2 GLU 2.A OE2 no hydrogen 2.540 N/A TYR 60.A N LYS 57.A O no hydrogen 3.283 N/A TYR 60.A OH CYS 5.A O no hydrogen 2.830 N/A ASN 61.A N MET 69.A O no hydrogen 3.072 N/A ASN 61.A ND2 ASN 70.A OD1 no hydrogen 2.738 N/A THR 62.A N ASN 65.A O no hydrogen 3.008 N/A ASN 65.A N THR 62.A O no hydrogen 3.520 N/A GLY 68.A N ASN 61.A OD1 no hydrogen 2.542 N/A MET 69.A N ARG 59.A O no hydrogen 2.747 N/A ASN 70.A N LEU 175.A O no hydrogen 2.930 N/A ASN 70.A ND2 GLN 174.A O no hydrogen 3.041 N/A PHE 71.A N MET 69.A O no hydrogen 3.016 N/A THR 73.A N ASN 70.A O no hydrogen 3.127 N/A THR 73.A OG1 ASN 70.A O no hydrogen 2.997 N/A PHE 76.A N THR 73.A O no hydrogen 3.213 N/A LYS 78.A N ILE 74.A O no hydrogen 2.942 N/A LYS 78.A NZ GLU 118.A OE1 no hydrogen 2.780 N/A VAL 79.A N MET 75.A O no hydrogen 2.836 N/A ALA 80.A N PHE 76.A O no hydrogen 2.889 N/A MET 81.A N THR 77.A O no hydrogen 2.809 N/A LEU 82.A N LYS 78.A O no hydrogen 3.036 N/A ILE 83.A N VAL 79.A O no hydrogen 3.104 N/A CYS 84.A N ALA 80.A O no hydrogen 2.923 N/A CYS 84.A SG PHE 18.A O no hydrogen 3.243 N/A CYS 84.A SG ALA 80.A O no hydrogen 3.429 N/A GLU 85.A N MET 81.A O no hydrogen 2.870 N/A ALA 86.A N LEU 82.A O no hydrogen 3.203 N/A LEU 87.A N ILE 83.A O no hydrogen 2.972 N/A ASN 88.A N CYS 84.A O no hydrogen 2.831 N/A SER 89.A N ALA 86.A O no hydrogen 3.100 N/A SER 89.A OG ALA 86.A O no hydrogen 2.769 N/A LEU 90.A N LEU 87.A O no hydrogen 3.017 N/A ASN 96.A N THR 93.A O no hydrogen 2.984 N/A VAL 97.A N THR 93.A O no hydrogen 3.295 N/A VAL 100.A N ASN 96.A O no hydrogen 2.675 N/A LEU 101.A N VAL 97.A O no hydrogen 3.116 N/A SER 102.A N SER 98.A O no hydrogen 3.023 N/A SER 102.A OG SER 98.A O no hydrogen 3.135 N/A SER 102.A OG ASN 99.A O no hydrogen 3.040 N/A ARG 103.A N VAL 100.A O no hydrogen 3.263 N/A VAL 105.A N ALA 1.A O no hydrogen 3.054 N/A HIS 109.A N SER 106.A OG no hydrogen 3.283 N/A HIS 109.A NE2 GLU 146.A OE1 no hydrogen 3.097 N/A LEU 110.A N SER 106.A O no hydrogen 3.212 N/A GLU 111.A N ILE 107.A O no hydrogen 2.916 N/A ASN 112.A N ARG 108.A O no hydrogen 3.037 N/A ASN 112.A ND2 GLU 152.A OE1 no hydrogen 2.830 N/A LEU 113.A N HIS 109.A O no hydrogen 3.223 N/A VAL 114.A N LEU 110.A O no hydrogen 2.983 N/A ILE 115.A N GLU 111.A O no hydrogen 3.134 N/A ARG 116.A N ASN 112.A O no hydrogen 3.266 N/A ARG 116.A NE ASP 122.A OD1 no hydrogen 3.241 N/A ARG 116.A NE ASP 122.A OD2 no hydrogen 2.873 N/A ARG 116.A NH1 ILE 149.A O no hydrogen 3.013 N/A ARG 116.A NH1 ALA 151.A O no hydrogen 2.542 N/A ARG 116.A NH2 ASP 122.A OD1 no hydrogen 3.025 N/A ARG 116.A NH2 ILE 149.A O no hydrogen 2.981 N/A LYS 117.A N LEU 113.A O no hydrogen 2.831 N/A GLU 118.A N VAL 114.A O no hydrogen 2.983 N/A ASN 119.A N ARG 116.A O no hydrogen 3.217 N/A GLN 121.A N ASN 119.A OD1 no hydrogen 2.870 N/A ASP 122.A N ASN 119.A O no hydrogen 3.021 N/A LEU 124.A N ASP 122.A OD1 no hydrogen 2.965 N/A PHE 125.A N ASP 122.A O no hydrogen 3.034 N/A HIS 126.A N ILE 123.A O no hydrogen 2.885 N/A HIS 126.A NE2 PRO 120.A O no hydrogen 2.878 N/A SER 127.A N ILE 123.A O no hydrogen 3.063 N/A LEU 130.A N SER 127.A OG no hydrogen 2.891 N/A LEU 131.A N SER 127.A O no hydrogen 2.805 N/A LEU 132.A N LYS 128.A O no hydrogen 2.990 N/A LYS 133.A N ASP 129.A O no hydrogen 3.018 N/A LYS 133.A NZ ASP 129.A OD1 no hydrogen 2.376 N/A SER 134.A N LEU 130.A O no hydrogen 2.905 N/A SER 134.A OG LEU 130.A O no hydrogen 3.036 N/A THR 135.A N LEU 131.A O no hydrogen 2.970 N/A THR 135.A OG1 LEU 131.A O no hydrogen 2.817 N/A LEU 136.A N LEU 132.A O no hydrogen 2.840 N/A ILE 137.A N LYS 133.A O no hydrogen 3.145 N/A ALA 138.A N SER 134.A O no hydrogen 3.300 N/A ILE 139.A N THR 135.A O no hydrogen 2.808 N/A GLY 140.A N ILE 137.A O no hydrogen 3.107 N/A GLN 141.A N LEU 136.A O no hydrogen 2.850 N/A GLU 144.A N SER 142.A OG no hydrogen 3.349 N/A THR 147.A N THR 150.A OG1 no hydrogen 3.155 N/A THR 147.A OG1 THR 150.A OG1 no hydrogen 3.420 N/A THR 148.A N LEU 190.A O no hydrogen 3.113 N/A THR 148.A OG1 THR 189.A OG1 no hydrogen 3.167 N/A THR 148.A OG1 ASN 191.A OD1 no hydrogen 2.579 N/A THR 150.A OG1 THR 147.A O no hydrogen 3.461 N/A THR 150.A OG1 THR 147.A OG1 no hydrogen 3.420 N/A ALA 151.A N THR 148.A O no hydrogen 3.332 N/A GLU 152.A N GLU 146.A OE2 no hydrogen 3.032 N/A GLU 155.A N LYS 167.A O no hydrogen 3.216 N/A VAL 157.A N MET 165.A O no hydrogen 2.859 N/A GLN 159.A NE2 THR 164.A OG1 no hydrogen 2.599 N/A ASN 160.A N PHE 163.A O no hydrogen 2.738 N/A ASN 160.A ND2 GLU 203.A OE1 no hydrogen 2.524 N/A THR 164.A N THR 189.A O no hydrogen 3.143 N/A THR 164.A OG1 ASN 191.A OD1 no hydrogen 2.815 N/A MET 165.A N PHE 158.A O no hydrogen 2.789 N/A TRP 166.A N LYS 187.A O no hydrogen 2.749 N/A TRP 166.A NE1 THR 189.A OG1 no hydrogen 2.990 N/A LYS 167.A N GLU 155.A O no hydrogen 2.760 N/A LEU 168.A N GLU 185.A O no hydrogen 2.906 N/A TYR 170.A OH GLU 152.A OE1 no hydrogen 2.884 N/A TYR 170.A OH GLU 152.A OE2 no hydrogen 3.417 N/A GLU 172.A N THR 169.A O no hydrogen 3.078 N/A HIS 173.A N TYR 170.A O no hydrogen 3.025 N/A HIS 173.A NE2 ASN 112.A OD1 no hydrogen 3.055 N/A GLN 174.A N GLU 111.A OE2 no hydrogen 2.786 N/A LEU 175.A N GLU 111.A OE1 no hydrogen 2.834 N/A GLN 181.A NE2 LEU 179.A O no hydrogen 2.836 N/A ASN 182.A N ASP 180.A OD1 no hydrogen 2.628 N/A PHE 183.A N ASP 180.A O no hydrogen 3.131 N/A TYR 186.A N ILE 227.A O no hydrogen 3.014 N/A LYS 187.A N TRP 166.A O no hydrogen 2.787 N/A LYS 187.A NZ GLU 146.A OE1 no hydrogen 2.969 N/A LYS 187.A NZ GLU 146.A OE2 no hydrogen 2.874 N/A LYS 187.A NZ GLU 152.A OE2 no hydrogen 2.697 N/A VAL 188.A N TYR 225.A O no hydrogen 2.885 N/A THR 189.A N THR 164.A O no hydrogen 3.000 N/A THR 189.A OG1 THR 148.A OG1 no hydrogen 3.167 N/A THR 189.A OG1 THR 164.A O no hydrogen 3.463 N/A ASN 191.A N ALA 162.A O no hydrogen 2.758 N/A ASN 191.A ND2 ASN 160.A O no hydrogen 2.765 N/A VAL 201.A N ASP 198.A O no hydrogen 3.116 N/A LYS 202.A N ASP 198.A O no hydrogen 2.820 N/A GLU 203.A N VAL 199.A O no hydrogen 3.032 N/A VAL 205.A N VAL 201.A O no hydrogen 2.851 N/A ALA 206.A N LYS 202.A O no hydrogen 2.977 N/A GLU 207.A N GLU 203.A O no hydrogen 3.308 N/A LEU 208.A N LEU 204.A O no hydrogen 2.895 N/A ARG 209.A N VAL 205.A O no hydrogen 3.124 N/A ARG 209.A NH1 PHE 294.A O no hydrogen 3.207 N/A ARG 209.A NH2 ASN 292.A OD1 no hydrogen 3.450 N/A ARG 209.A NH2 PHE 294.A O no hydrogen 3.351 N/A TRP 210.A N ALA 206.A O no hydrogen 3.161 N/A GLN 211.A N GLU 207.A O no hydrogen 2.887 N/A TYR 212.A N LEU 208.A O no hydrogen 3.236 N/A LYS 214.A NZ ASN 213.A OD1 no hydrogen 3.471 N/A PHE 215.A N TYR 212.A O no hydrogen 3.044 N/A ALA 216.A N VAL 228.A O no hydrogen 2.730 N/A ILE 218.A N ARG 226.A O no hydrogen 2.943 N/A THR 219.A OG1 ALA 224.A O no hydrogen 3.140 N/A HIS 220.A NE2 HIS 236.A ND1 no hydrogen 2.902 N/A GLY 221.A N THR 219.A OG1 no hydrogen 2.777 N/A TYR 225.A N VAL 188.A O no hydrogen 3.000 N/A ARG 226.A N ILE 218.A O no hydrogen 2.770 N/A ARG 226.A NE GLU 185.A OE2 no hydrogen 2.713 N/A ARG 226.A NH2 GLU 185.A OE2 no hydrogen 3.222 N/A ILE 227.A N TYR 186.A O no hydrogen 2.702 N/A VAL 228.A N ALA 216.A O no hydrogen 3.345 N/A LYS 229.A NZ ASN 182.A O no hydrogen 2.578 N/A TYR 230.A OH PHE 215.A O no hydrogen 3.396 N/A VAL 233.A N TYR 230.A O no hydrogen 3.253 N/A HIS 236.A N SER 232.A O no hydrogen 3.321 N/A HIS 236.A ND1 HIS 220.A NE2 no hydrogen 2.902 N/A ALA 237.A N VAL 233.A O no hydrogen 2.781 N/A ASP 238.A N ALA 234.A O no hydrogen 3.035 N/A ARG 239.A N ASN 235.A O no hydrogen 3.102 N/A VAL 240.A N HIS 236.A O no hydrogen 2.983 N/A TYR 241.A N ALA 237.A O no hydrogen 3.057 N/A TYR 241.A OH ASN 274.A O no hydrogen 2.645 N/A ALA 242.A N ASP 238.A O no hydrogen 2.862 N/A THR 243.A N ARG 239.A O no hydrogen 3.189 N/A THR 243.A OG1 ARG 239.A O no hydrogen 2.694 N/A PHE 244.A N VAL 240.A O no hydrogen 2.995 N/A LYS 245.A N TYR 241.A O no hydrogen 2.752 N/A SER 246.A N THR 243.A O no hydrogen 3.010 N/A SER 246.A OG ALA 242.A O no hydrogen 3.357 N/A ASN 247.A N LYS 245.A O no hydrogen 2.772 N/A ASN 249.A ND2 PHE 244.A O no hydrogen 3.345 N/A ASN 252.A N GLY 221.A O no hydrogen 3.002 N/A LEU 254.A N ASN 252.A OD1 no hydrogen 2.859 N/A ASP 255.A N TYR 225.A OH no hydrogen 3.264 N/A ARG 257.A N ASP 255.A OD1 no hydrogen 2.667 N/A ARG 257.A NE ASP 255.A OD1 no hydrogen 3.209 N/A ARG 257.A NE ASP 255.A OD2 no hydrogen 3.471 N/A ARG 257.A NH1 ASP 198.A OD1 no hydrogen 3.292 N/A ARG 257.A NH1 ASP 198.A OD2 no hydrogen 3.329 N/A ARG 257.A NH2 ASP 255.A OD2 no hydrogen 2.844 N/A ILE 258.A N ASP 255.A O no hydrogen 3.141 N/A ILE 259.A N ASP 255.A O no hydrogen 3.142 N/A TRP 260.A N VAL 217.A O no hydrogen 2.739 N/A GLN 261.A NE2 LYS 288.A O no hydrogen 3.004 N/A TYR 264.A N TRP 260.A O no hydrogen 3.028 N/A ALA 265.A N GLN 261.A O no hydrogen 3.152 N/A PHE 266.A N ASN 262.A O no hydrogen 2.863 N/A THR 267.A N TRP 263.A O no hydrogen 2.869 N/A THR 267.A OG1 TRP 263.A O no hydrogen 2.632 N/A THR 267.A OG1 TYR 264.A O no hydrogen 2.849 N/A SER 268.A N TYR 264.A O no hydrogen 2.886 N/A SER 268.A OG TYR 264.A O no hydrogen 3.307 N/A SER 269.A N ALA 265.A O no hydrogen 2.915 N/A MET 270.A N PHE 266.A O no hydrogen 3.236 N/A LYS 271.A N THR 267.A O no hydrogen 2.814 N/A LYS 271.A NZ PHE 251.A O no hydrogen 3.057 N/A GLN 272.A N SER 269.A O no hydrogen 3.375 N/A GLY 273.A N MET 270.A O no hydrogen 2.934 N/A ASN 274.A N SER 269.A O no hydrogen 3.185 N/A ASN 274.A ND2 SER 269.A O no hydrogen 2.709 N/A ASN 274.A ND2 SER 269.A OG no hydrogen 2.757 N/A VAL 278.A N THR 275.A OG1 no hydrogen 3.010 N/A CYS 279.A N THR 275.A O no hydrogen 3.317 N/A CYS 279.A SG PHE 266.A O no hydrogen 3.490 N/A CYS 279.A SG THR 275.A O no hydrogen 3.315 N/A LYS 280.A N LEU 276.A O no hydrogen 2.731 N/A LYS 280.A NZ ASP 238.A OD1 no hydrogen 3.389 N/A ARG 281.A N ASP 277.A O no hydrogen 2.991 N/A LEU 283.A N CYS 279.A O no hydrogen 3.409 N/A PHE 284.A N ARG 281.A O no hydrogen 3.018 N/A GLN 285.A N ARG 281.A O no hydrogen 3.344 N/A MET 287.A N GLN 285.A O no hydrogen 2.629 N/A GLU 290.A N GLN 261.A OE1 no hydrogen 3.362 N/A ASP 300.A N GLY 296.A O no hydrogen 3.039 N/A ARG 301.A N LEU 297.A O no hydrogen 3.200 N/A ARG 301.A NE GLU 305.A OE2 no hydrogen 3.026 N/A ARG 301.A NH1 GLU 207.A OE1 no hydrogen 3.569 N/A ARG 301.A NH2 GLU 305.A OE2 no hydrogen 3.529 N/A LYS 302.A N SER 298.A O no hydrogen 3.009 N/A MET 303.A N THR 299.A O no hydrogen 2.840 N/A ASP 304.A N ASP 300.A O no hydrogen 2.871 N/A GLU 305.A N ARG 301.A O no hydrogen 3.002 N/A VAL 306.A N LYS 302.A O no hydrogen 3.187 N/A SER 307.A N ASP 304.A O no hydrogen 2.868 N/A SER 307.A OG MET 303.A O no hydrogen 3.395 N/A