Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2v91_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ILE 299.A O no hydrogen 2.759 N/A ILE 5.A N VAL 297.A O no hydrogen 2.758 N/A ALA 7.A N GLY 295.A O no hydrogen 3.124 N/A ALA 11.A N HIS 294.A O no hydrogen 2.880 N/A ASN 13.A N SER 27.A O no hydrogen 3.003 N/A SER 14.A OG SER 27.A OG no hydrogen 2.547 N/A THR 16.A N TYR 25.A O no hydrogen 3.070 N/A ASN 21.A N ASP 18.A O no hydrogen 2.951 N/A ASN 21.A N ASP 18.A OD1 no hydrogen 2.824 N/A ASN 21.A ND2 ASP 284.A OD2 no hydrogen 3.390 N/A PHE 24.A N TYR 36.A O no hydrogen 3.236 N/A TYR 25.A N THR 16.A O no hydrogen 2.818 N/A TYR 25.A OH ASP 18.A OD2 no hydrogen 2.887 N/A THR 26.A N ILE 34.A O no hydrogen 2.923 N/A THR 26.A OG1 SER 14.A O no hydrogen 2.835 N/A SER 27.A OG ASN 13.A OD1 no hydrogen 2.871 N/A SER 27.A OG SER 14.A OG no hydrogen 2.547 N/A SER 27.A OG THR 73.A O no hydrogen 3.382 N/A VAL 28.A N ARG 32.A O no hydrogen 3.358 N/A GLN 29.A N TYR 10.A O no hydrogen 2.778 N/A ASP 30.A N SER 9.A OG no hydrogen 2.982 N/A GLY 31.A N VAL 28.A O no hydrogen 3.242 N/A ARG 32.A N ASP 30.A OD1 no hydrogen 3.111 N/A ARG 32.A NE ASP 30.A OD1 no hydrogen 3.071 N/A ARG 32.A NE ASP 30.A OD2 no hydrogen 2.972 N/A ARG 32.A NH1 ASP 45.A OD1 no hydrogen 2.759 N/A ARG 32.A NH2 ASP 30.A OD2 no hydrogen 3.010 N/A VAL 33.A N ALA 47.A O no hydrogen 2.846 N/A ILE 34.A N THR 26.A O no hydrogen 2.782 N/A LYS 35.A N VAL 44.A O no hydrogen 2.781 N/A LYS 35.A NZ GLU 37.A OE2 no hydrogen 3.073 N/A TYR 36.A N PHE 24.A O no hydrogen 2.874 N/A GLU 37.A N GLY 42.A O no hydrogen 3.034 N/A ASN 40.A ND2 GLU 37.A O no hydrogen 3.483 N/A SER 41.A N GLY 38.A O no hydrogen 2.714 N/A GLY 42.A N GLY 38.A O no hydrogen 2.905 N/A VAL 44.A N LYS 35.A O no hydrogen 2.949 N/A PHE 46.A N VAL 33.A O no hydrogen 3.157 N/A ALA 47.A N VAL 33.A O no hydrogen 2.947 N/A TYR 48.A N GLY 102.A O no hydrogen 3.236 N/A TYR 48.A OH ASP 45.A OD2 no hydrogen 2.707 N/A SER 50.A OG LEU 69.A O no hydrogen 2.601 N/A TYR 52.A N SER 50.A OG no hydrogen 2.985 N/A TRP 53.A N SER 50.A O no hydrogen 3.471 N/A TRP 53.A NE1 ASP 30.A O no hydrogen 2.525 N/A LYS 55.A NZ GLU 59.A OE2 no hydrogen 3.298 N/A CYS 58.A N ASN 54.A O no hydrogen 2.715 N/A GLU 59.A N LYS 55.A O no hydrogen 2.847 N/A ASN 60.A N ASP 30.A OD2 no hydrogen 2.939 N/A SER 61.A N CYS 58.A O no hydrogen 2.914 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.393 N/A LYS 66.A N ASP 63.A O no hydrogen 2.972 N/A LYS 66.A NZ PHE 57.A O no hydrogen 2.720 N/A ARG 67.A N ALA 64.A O no hydrogen 2.910 N/A ARG 67.A NH1 ASP 142.A OD1 no hydrogen 2.867 N/A CYS 70.A N LYS 66.A O no hydrogen 2.972 N/A GLY 71.A N ARG 67.A O no hydrogen 2.653 N/A ARG 72.A N ASP 89.A OD2 no hydrogen 3.223 N/A ARG 72.A NH1 ASN 13.A OD1 no hydrogen 2.897 N/A ARG 72.A NH1 THR 73.A O no hydrogen 3.051 N/A ARG 72.A NH2 ALA 11.A O no hydrogen 2.961 N/A ARG 72.A NH2 GLN 29.A OE1 no hydrogen 2.773 N/A THR 73.A OG1 ASP 89.A OD1 no hydrogen 2.877 N/A TYR 74.A N VAL 88.A O no hydrogen 2.853 N/A TYR 74.A OH ASP 142.A OD1 no hydrogen 2.983 N/A TYR 74.A OH ASP 142.A OD2 no hydrogen 2.490 N/A ILE 76.A N ASP 75.A OD1 no hydrogen 2.924 N/A SER 77.A N TYR 86.A O no hydrogen 2.769 N/A TYR 78.A N THR 16.A OG1 no hydrogen 2.939 N/A ASN 79.A N GLN 84.A O no hydrogen 2.842 N/A GLN 81.A NE2 GLN 126.A OE1 no hydrogen 3.015 N/A ASN 82.A N ASN 79.A OD1 no hydrogen 3.151 N/A ASN 83.A ND2 TYR 78.A OH no hydrogen 2.665 N/A LEU 85.A N VAL 97.A O no hydrogen 2.958 N/A TYR 86.A N SER 77.A O no hydrogen 3.012 N/A ILE 87.A N SER 95.A O no hydrogen 2.750 N/A VAL 88.A N ASP 75.A O no hydrogen 3.001 N/A ASP 89.A N HIS 93.A O no hydrogen 3.042 N/A CYS 90.A N ARG 72.A O no hydrogen 3.020 N/A CYS 90.A SG LYS 117.A O no hydrogen 3.595 N/A TYR 91.A N ASP 89.A OD2 no hydrogen 2.936 N/A TYR 92.A N ASP 89.A OD2 no hydrogen 2.871 N/A TYR 92.A OH PRO 68.A O no hydrogen 2.199 N/A TYR 92.A OH LEU 69.A O no hydrogen 3.366 N/A HIS 93.A N ASP 89.A O no hydrogen 2.613 N/A LEU 94.A N ALA 108.A O no hydrogen 3.194 N/A SER 95.A N ILE 87.A O no hydrogen 2.905 N/A VAL 96.A N THR 105.A O no hydrogen 2.681 N/A VAL 97.A N LEU 85.A O no hydrogen 2.867 N/A GLY 101.A N GLY 98.A O no hydrogen 3.332 N/A GLY 102.A N PHE 46.A O no hydrogen 2.833 N/A HIS 103.A ND1 SER 50.A O no hydrogen 2.832 N/A ALA 104.A N TYR 48.A O no hydrogen 2.868 N/A THR 105.A N VAL 96.A O no hydrogen 2.777 N/A GLN 106.A NE2 TYR 92.A O no hydrogen 2.741 N/A LEU 107.A N LEU 94.A O no hydrogen 2.734 N/A ALA 108.A N LEU 94.A O no hydrogen 3.278 N/A VAL 111.A N VAL 114.A O no hydrogen 3.463 N/A VAL 114.A N VAL 111.A O no hydrogen 2.807 N/A PHE 116.A N THR 109.A O no hydrogen 2.851 N/A LYS 117.A N ASP 135.A OD1 no hydrogen 3.143 N/A TRP 118.A N ASP 135.A OD1 no hydrogen 2.874 N/A TYR 120.A N THR 134.A O no hydrogen 3.024 N/A TYR 120.A OH GLU 278.A OE1 no hydrogen 2.657 N/A VAL 122.A N ASP 75.A OD2 no hydrogen 2.994 N/A THR 123.A N TYR 132.A O no hydrogen 2.830 N/A THR 123.A OG1 GLU 182.A OE2 no hydrogen 2.638 N/A ASP 125.A N ILE 130.A O no hydrogen 2.902 N/A GLN 126.A NE2 TYR 78.A O no hydrogen 2.689 N/A ARG 127.A N ASP 125.A OD1 no hydrogen 3.029 N/A ARG 127.A NH1 ALA 185.A O no hydrogen 2.989 N/A ARG 127.A NH2 ALA 185.A O no hydrogen 3.426 N/A THR 128.A N ASP 125.A O no hydrogen 2.843 N/A THR 128.A N ASP 125.A OD1 no hydrogen 3.381 N/A GLY 129.A N ASP 125.A O no hydrogen 2.659 N/A ILE 130.A N THR 128.A OG1 no hydrogen 3.146 N/A VAL 131.A N TYR 161.A O no hydrogen 2.761 N/A TYR 132.A N THR 123.A O no hydrogen 3.003 N/A PHE 133.A N ILE 159.A O no hydrogen 2.980 N/A THR 134.A N ALA 121.A O no hydrogen 2.946 N/A THR 134.A OG1 GLY 179.A O no hydrogen 3.249 N/A ASP 135.A N ARG 157.A O no hydrogen 3.016 N/A VAL 136.A N TRP 118.A O no hydrogen 2.843 N/A SER 137.A OG ASP 153.A OD2 no hydrogen 2.599 N/A SER 137.A OG THR 155.A OG1 no hydrogen 3.339 N/A THR 138.A N THR 155.A OG1 no hydrogen 2.932 N/A LEU 139.A N SER 137.A OG no hydrogen 2.970 N/A TYR 140.A N SER 137.A OG no hydrogen 3.085 N/A ARG 143.A N ASP 141.A OD1 no hydrogen 3.025 N/A ARG 143.A NH1 TYR 91.A OH no hydrogen 2.889 N/A GLY 144.A N ASP 141.A O no hydrogen 2.735 N/A ILE 148.A N GLY 144.A O no hydrogen 2.920 N/A MET 149.A N VAL 145.A O no hydrogen 2.861 N/A ASP 150.A N GLN 146.A O no hydrogen 2.728 N/A THR 151.A N GLN 147.A O no hydrogen 2.674 N/A THR 151.A OG1 GLN 147.A O no hydrogen 2.842 N/A SER 152.A N MET 149.A O no hydrogen 3.101 N/A ASP 153.A N ILE 148.A O no hydrogen 3.064 N/A LYS 154.A NZ GLU 174.A O no hydrogen 3.523 N/A THR 155.A OG1 ASP 153.A OD2 no hydrogen 2.867 N/A GLY 156.A N LEU 175.A O no hydrogen 2.901 N/A ARG 157.A N ASP 135.A O no hydrogen 3.011 N/A ARG 157.A NH1 VAL 114.A O no hydrogen 3.063 N/A ARG 157.A NH2 VAL 114.A O no hydrogen 3.523 N/A ARG 157.A NH2 PRO 115.A O no hydrogen 3.104 N/A ARG 157.A NH2 ASP 135.A OD2 no hydrogen 2.916 N/A LEU 158.A N LEU 172.A O no hydrogen 2.894 N/A ILE 159.A N PHE 133.A O no hydrogen 2.955 N/A LYS 160.A N THR 169.A O no hydrogen 2.885 N/A TYR 161.A N VAL 131.A O no hydrogen 2.521 N/A ASP 162.A N GLU 167.A O no hydrogen 3.219 N/A SER 164.A OG ASP 162.A OD1 no hydrogen 2.884 N/A THR 165.A N ASP 162.A O no hydrogen 2.817 N/A THR 165.A OG1 ASP 162.A O no hydrogen 3.457 N/A LYS 166.A N ASP 162.A O no hydrogen 2.842 N/A THR 169.A N LYS 160.A O no hydrogen 2.878 N/A LEU 171.A N LEU 158.A O no hydrogen 2.950 N/A LEU 172.A N LEU 158.A O no hydrogen 3.190 N/A LEU 175.A N GLY 156.A O no hydrogen 2.907 N/A HIS 176.A N GLU 194.A OE1 no hydrogen 2.554 N/A HIS 176.A ND1 ASP 153.A O no hydrogen 2.985 N/A VAL 177.A N LEU 175.A O no hydrogen 2.995 N/A GLY 179.A N ALA 193.A O no hydrogen 2.924 N/A GLY 180.A N GLY 223.A O no hydrogen 2.850 N/A GLU 182.A N LEU 191.A O no hydrogen 2.851 N/A VAL 183.A N GLU 182.A OE2 no hydrogen 2.885 N/A SER 184.A N PHE 189.A O no hydrogen 2.893 N/A SER 184.A OG ASP 186.A OD1 no hydrogen 3.119 N/A SER 184.A OG PHE 189.A O no hydrogen 3.101 N/A SER 187.A N SER 184.A O no hydrogen 3.261 N/A SER 187.A OG ASP 125.A OD1 no hydrogen 3.427 N/A SER 187.A OG ASP 125.A OD2 no hydrogen 2.939 N/A SER 188.A OG ASP 186.A OD1 no hydrogen 2.682 N/A SER 188.A OG ASP 186.A OD2 no hydrogen 3.227 N/A PHE 189.A N SER 184.A OG no hydrogen 3.185 N/A VAL 190.A N TYR 203.A O no hydrogen 2.848 N/A LEU 191.A N GLU 182.A O no hydrogen 2.648 N/A VAL 192.A N VAL 201.A O no hydrogen 2.920 N/A ALA 193.A N GLY 180.A O no hydrogen 2.917 N/A GLU 194.A N GLN 199.A O no hydrogen 2.805 N/A PHE 195.A N VAL 177.A O no hydrogen 2.835 N/A LEU 196.A N HIS 176.A O no hydrogen 3.069 N/A SER 197.A N GLU 194.A O no hydrogen 3.285 N/A ILE 200.A N VAL 217.A O no hydrogen 2.960 N/A VAL 201.A N VAL 192.A O no hydrogen 2.766 N/A LYS 202.A N GLU 214.A O no hydrogen 2.961 N/A LYS 202.A NZ GLU 258.A O no hydrogen 2.713 N/A TYR 203.A N VAL 190.A O no hydrogen 2.767 N/A TRP 204.A N THR 212.A O no hydrogen 3.097 N/A LEU 205.A N SER 188.A O no hydrogen 2.629 N/A LYS 209.A NZ GLU 214.A OE1 no hydrogen 3.488 N/A LYS 210.A N GLY 207.A O no hydrogen 3.211 N/A GLY 211.A N TRP 204.A O no hydrogen 2.695 N/A THR 212.A N LYS 209.A O no hydrogen 3.119 N/A GLU 214.A N LYS 202.A O no hydrogen 3.098 N/A LEU 216.A N ILE 200.A O no hydrogen 2.901 N/A ILE 219.A N HIS 198.A O no hydrogen 2.947 N/A GLY 223.A N SER 236.A O no hydrogen 2.990 N/A ASN 224.A N GLU 278.A O no hydrogen 3.010 N/A ASN 224.A ND2 ASP 75.A OD2 no hydrogen 2.956 N/A ILE 225.A N ASN 224.A OD1 no hydrogen 2.947 N/A LYS 226.A N TRP 234.A O no hydrogen 2.777 N/A LYS 226.A NZ ASP 75.A OD2 no hydrogen 2.900 N/A ARG 227.A N GLU 182.A OE1 no hydrogen 2.747 N/A ARG 227.A NH1 VAL 183.A O no hydrogen 2.931 N/A ASN 228.A N HIS 232.A O no hydrogen 2.819 N/A ASN 228.A ND2 GLU 282.A OE1 no hydrogen 2.943 N/A ASP 230.A N ASN 228.A OD1 no hydrogen 2.957 N/A GLY 231.A N ASN 228.A O no hydrogen 2.661 N/A HIS 232.A N ASN 228.A OD1 no hydrogen 3.049 N/A PHE 233.A N PHE 256.A O no hydrogen 2.864 N/A TRP 234.A N LYS 226.A O no hydrogen 3.123 N/A TRP 234.A NE1 GLU 282.A OE1 no hydrogen 2.850 N/A VAL 235.A N ILE 254.A O no hydrogen 2.869 N/A SER 236.A N ASN 224.A O no hydrogen 3.459 N/A SER 236.A OG GLU 278.A O no hydrogen 2.619 N/A SER 237.A N LYS 252.A O no hydrogen 2.630 N/A SER 237.A OG PRO 220.A O no hydrogen 2.649 N/A SER 238.A N ASN 221.A O no hydrogen 2.779 N/A SER 238.A OG PHE 277.A O no hydrogen 3.204 N/A LEU 241.A N ARG 248.A O no hydrogen 3.032 N/A GLY 243.A N GLU 240.A O no hydrogen 3.229 N/A GLY 247.A N ASN 244.A O no hydrogen 3.375 N/A ARG 248.A N ASP 242.A OD2 no hydrogen 2.974 N/A ARG 248.A NE ASP 242.A OD1 no hydrogen 3.199 N/A ARG 248.A NE ASP 242.A OD2 no hydrogen 3.307 N/A ARG 248.A NH2 ASP 242.A OD1 no hydrogen 2.974 N/A ASP 250.A N GLU 239.A O no hydrogen 2.913 N/A LYS 252.A N SER 237.A O no hydrogen 2.885 N/A LYS 252.A NZ GLU 239.A OE1 no hydrogen 3.141 N/A GLY 253.A N ILE 266.A O no hydrogen 2.844 N/A ILE 254.A N VAL 235.A O no hydrogen 2.950 N/A LYS 255.A N GLU 264.A O no hydrogen 2.854 N/A LYS 255.A NZ GLU 264.A OE2 no hydrogen 3.543 N/A LYS 255.A NZ TYR 302.A OH no hydrogen 3.203 N/A PHE 256.A N PHE 233.A O no hydrogen 2.789 N/A ASP 257.A N ASN 261.A O no hydrogen 3.164 N/A PHE 259.A N ASP 257.A OD1 no hydrogen 2.917 N/A GLY 260.A N ASP 257.A O no hydrogen 2.873 N/A ASN 261.A N ASP 257.A OD1 no hydrogen 3.114 N/A LEU 263.A N LYS 255.A O no hydrogen 2.660 N/A GLU 264.A N LYS 255.A O no hydrogen 3.179 N/A ILE 266.A N GLY 253.A O no hydrogen 2.831 N/A LEU 268.A N PRO 251.A O no hydrogen 3.176 N/A PHE 272.A N PRO 269.A O no hydrogen 2.826 N/A ALA 273.A N PRO 270.A O no hydrogen 3.201 N/A GLU 275.A N PHE 272.A O no hydrogen 3.122 N/A HIS 276.A NE2 GLU 240.A OE1 no hydrogen 3.037 N/A PHE 277.A N SER 238.A OG no hydrogen 2.850 N/A GLU 278.A N GLY 290.A O no hydrogen 2.989 N/A GLN 279.A N GLY 290.A O no hydrogen 3.245 N/A GLN 279.A NE2 GLN 281.A OE1 no hydrogen 2.881 N/A GLN 281.A N TYR 288.A O no hydrogen 2.969 N/A HIS 283.A N LEU 286.A O no hydrogen 2.786 N/A HIS 283.A NE2 ASN 21.A OD1 no hydrogen 2.576 N/A LEU 286.A N HIS 283.A O no hydrogen 2.895 N/A LEU 287.A N LEU 300.A O no hydrogen 2.902 N/A TYR 288.A N GLN 281.A O no hydrogen 2.722 N/A ILE 289.A N GLY 298.A O no hydrogen 2.749 N/A GLY 290.A N GLN 279.A O no hydrogen 2.803 N/A THR 291.A N PRO 12.A O no hydrogen 3.090 N/A PHE 293.A N THR 291.A OG1 no hydrogen 2.995 N/A HIS 294.A NE2 GLU 275.A OE2 no hydrogen 2.572 N/A VAL 297.A N ILE 5.A O no hydrogen 2.787 N/A ILE 299.A N ILE 3.A O no hydrogen 2.774 N/A LEU 300.A N LEU 287.A O no hydrogen 2.802 N/A VAL 301.A N LYS 1.A O no hydrogen 3.181 N/A TYR 302.A OH GLU 282.A OE1 no hydrogen 2.696 N/A