Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fig_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A ND1 GLU 5.A OE2 no hydrogen 3.102 N/A GLU 5.A N ARG 1.A O no hydrogen 3.273 N/A GLN 6.A N VAL 2.A O no hydrogen 3.265 N/A PHE 7.A N SER 3.A O no hydrogen 3.212 N/A ARG 8.A N HIS 4.A O no hydrogen 2.805 N/A ALA 9.A N GLU 5.A O no hydrogen 2.986 N/A ALA 10.A N GLN 6.A O no hydrogen 3.136 N/A LEU 11.A N PHE 7.A O no hydrogen 3.026 N/A GLN 12.A N ARG 8.A O no hydrogen 2.917 N/A GLN 12.A NE2 GLN 12.A O no hydrogen 2.944 N/A LEU 13.A N ALA 9.A O no hydrogen 3.296 N/A LEU 13.A N ALA 10.A O no hydrogen 3.010 N/A VAL 14.A N ALA 10.A O no hydrogen 3.294 N/A VAL 15.A N LEU 11.A O no hydrogen 3.035 N/A ASP 16.A N SER 87.A O no hydrogen 2.821 N/A ARG 21.A N ASP 19.A OD1 no hydrogen 2.907 N/A ARG 21.A NE ASP 19.A OD1 no hydrogen 3.051 N/A ARG 21.A NE ASP 19.A OD2 no hydrogen 3.339 N/A ARG 21.A NH2 ASP 19.A OD2 no hydrogen 2.765 N/A SER 22.A N ASP 19.A O no hydrogen 3.241 N/A SER 22.A OG ASP 19.A O no hydrogen 3.048 N/A TYR 23.A N PRO 20.A O no hydrogen 2.898 N/A TYR 23.A OH TYR 88.A OH no hydrogen 2.882 N/A LEU 24.A N PRO 20.A O no hydrogen 2.870 N/A ASP 25.A N THR 42.A O no hydrogen 2.712 N/A ASN 26.A ND2 THR 42.A OG1 no hydrogen 3.074 N/A ILE 28.A N ILE 40.A O no hydrogen 3.155 N/A ILE 30.A N VAL 38.A O no hydrogen 2.811 N/A GLY 33.A N GLY 36.A O no hydrogen 2.850 N/A ILE 37.A N LYS 54.A O no hydrogen 3.063 N/A VAL 38.A N GLY 31.A O no hydrogen 2.803 N/A CYS 39.A N VAL 52.A O no hydrogen 2.882 N/A CYS 39.A SG VAL 52.A O no hydrogen 3.843 N/A ILE 40.A N ILE 28.A O no hydrogen 3.096 N/A ALA 41.A N VAL 50.A O no hydrogen 2.999 N/A THR 42.A N ASP 25.A O no hydrogen 2.746 N/A THR 42.A OG1 ASP 25.A O no hydrogen 3.127 N/A VAL 43.A N LYS 48.A O no hydrogen 2.834 N/A ARG 44.A N TYR 23.A O no hydrogen 2.921 N/A ARG 44.A NH2 ARG 21.A O no hydrogen 2.888 N/A GLY 47.A N VAL 43.A O no hydrogen 2.692 N/A VAL 50.A N ALA 41.A O no hydrogen 2.917 N/A ALA 51.A N MET 98.A O no hydrogen 2.833 N/A VAL 52.A N CYS 39.A O no hydrogen 2.677 N/A LYS 53.A N VAL 96.A O no hydrogen 3.028 N/A LYS 53.A NZ THR 35.A OG1 no hydrogen 3.424 N/A LYS 53.A NZ GLU 69.A OE2 no hydrogen 3.168 N/A LYS 54.A N ILE 37.A O no hydrogen 2.826 N/A MET 55.A N LEU 94.A O no hydrogen 2.902 N/A LEU 57.A N ASP 92.A O no hydrogen 3.127 N/A ARG 58.A N ASP 56.A OD1 no hydrogen 3.013 N/A ARG 58.A NE ASP 56.A OD1 no hydrogen 3.179 N/A LYS 59.A N ASP 56.A O no hydrogen 3.192 N/A GLN 60.A NE2 THR 35.A O no hydrogen 2.999 N/A GLN 60.A NE2 ASP 56.A O no hydrogen 2.837 N/A GLU 64.A N GLU 64.A OE2 no hydrogen 2.720 N/A LEU 65.A N ARG 62.A O no hydrogen 2.997 N/A LEU 66.A N ARG 63.A O no hydrogen 3.130 N/A PHE 67.A N GLU 64.A O no hydrogen 3.275 N/A ASN 68.A N LEU 65.A O no hydrogen 3.246 N/A ASN 68.A ND2 LEU 65.A O no hydrogen 3.320 N/A ASN 68.A ND2 GLY 163.A O no hydrogen 3.348 N/A ASN 68.A ND2 CYS 165.A O no hydrogen 2.959 N/A VAL 70.A N PHE 67.A O no hydrogen 3.231 N/A VAL 71.A N PHE 67.A O no hydrogen 2.903 N/A ILE 72.A N ASN 68.A O no hydrogen 3.044 N/A ARG 74.A N VAL 70.A O no hydrogen 3.299 N/A ARG 74.A NH1 VAL 14.A O no hydrogen 3.281 N/A ASP 75.A N VAL 71.A O no hydrogen 2.930 N/A TYR 76.A N ILE 72.A O no hydrogen 3.025 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 3.036 N/A ASN 80.A ND2 VAL 157.A O no hydrogen 3.229 N/A VAL 81.A N HIS 78.A O no hydrogen 3.043 N/A VAL 82.A N LEU 159.A O no hydrogen 3.294 N/A GLU 83.A N GLU 99.A OE2 no hydrogen 3.229 N/A TYR 85.A N VAL 97.A O no hydrogen 2.738 N/A ASN 86.A N VAL 97.A O no hydrogen 3.126 N/A ASN 86.A ND2 ASP 16.A OD2 no hydrogen 2.977 N/A SER 87.A N ASP 16.A OD2 no hydrogen 3.070 N/A TYR 88.A N TRP 95.A O no hydrogen 2.737 N/A TYR 88.A OH TYR 23.A OH no hydrogen 2.882 N/A VAL 90.A N GLU 93.A O no hydrogen 2.907 N/A GLU 93.A N VAL 90.A O no hydrogen 2.910 N/A LEU 94.A N MET 55.A O no hydrogen 2.772 N/A TRP 95.A N TYR 88.A O no hydrogen 2.811 N/A TRP 95.A NE1 GLU 93.A OE1 no hydrogen 2.772 N/A VAL 96.A N LYS 53.A O no hydrogen 2.917 N/A VAL 97.A N ASN 86.A O no hydrogen 2.736 N/A MET 98.A N ALA 51.A O no hydrogen 2.851 N/A GLU 99.A N GLU 83.A O no hydrogen 2.926 N/A GLY 103.A N LEU 151.A O no hydrogen 2.839 N/A GLY 104.A N LEU 101.A O no hydrogen 3.211 N/A LEU 106.A N ILE 149.A O no hydrogen 2.849 N/A THR 107.A OG1 SER 146.A OG no hydrogen 3.283 N/A ILE 109.A N LEU 106.A O no hydrogen 2.935 N/A VAL 110.A N LEU 106.A O no hydrogen 3.079 N/A THR 111.A N THR 107.A O no hydrogen 3.083 N/A THR 111.A OG1 THR 107.A O no hydrogen 2.738 N/A THR 111.A OG1 ASP 108.A O no hydrogen 3.318 N/A THR 111.A OG1 HIS 112.A ND1 no hydrogen 3.037 N/A HIS 112.A N ILE 109.A O no hydrogen 3.173 N/A HIS 112.A ND1 ASP 108.A O no hydrogen 2.809 N/A THR 113.A N ILE 109.A O no hydrogen 2.950 N/A THR 113.A OG1 ILE 109.A O no hydrogen 3.350 N/A ASN 116.A N GLN 119.A OE1 no hydrogen 3.018 N/A GLN 119.A N ASN 116.A OD1 no hydrogen 2.849 N/A GLN 119.A NE2 SER 282.A O no hydrogen 2.759 N/A ILE 120.A N ASN 116.A O no hydrogen 2.910 N/A ALA 121.A N GLU 117.A O no hydrogen 2.877 N/A ALA 122.A N GLU 118.A O no hydrogen 3.259 N/A VAL 123.A N GLN 119.A O no hydrogen 3.204 N/A CYS 124.A N ILE 120.A O no hydrogen 3.027 N/A CYS 124.A SG ILE 120.A O no hydrogen 3.396 N/A LEU 125.A N ALA 121.A O no hydrogen 2.889 N/A ALA 126.A N ALA 122.A O no hydrogen 3.321 N/A VAL 127.A N VAL 123.A O no hydrogen 3.012 N/A LEU 128.A N CYS 124.A O no hydrogen 2.874 N/A GLN 129.A N LEU 125.A O no hydrogen 2.962 N/A ALA 130.A N ALA 126.A O no hydrogen 3.189 N/A LEU 131.A N VAL 127.A O no hydrogen 2.827 N/A SER 132.A N LEU 128.A O no hydrogen 2.926 N/A SER 132.A OG LEU 128.A O no hydrogen 3.251 N/A SER 132.A OG GLN 129.A O no hydrogen 2.822 N/A LEU 134.A N ALA 130.A O no hydrogen 3.256 N/A HIS 135.A N LEU 131.A O no hydrogen 2.715 N/A HIS 135.A NE2 ASP 199.A OD2 no hydrogen 3.061 N/A ALA 136.A N SER 132.A O no hydrogen 3.018 N/A GLN 137.A N LEU 134.A O no hydrogen 3.179 N/A GLY 138.A N HIS 135.A O no hydrogen 2.967 N/A VAL 139.A N LEU 134.A O no hydrogen 2.792 N/A ILE 140.A N ALA 166.A O no hydrogen 2.860 N/A HIS 141.A N ASP 199.A OD2 no hydrogen 2.741 N/A HIS 141.A NE2 SER 160.A O no hydrogen 2.797 N/A ARG 142.A N ASP 199.A OD1 no hydrogen 2.876 N/A ARG 142.A NE TYR 194.A OH no hydrogen 3.060 N/A ARG 142.A NH1 PHE 164.A O no hydrogen 2.807 N/A ARG 142.A NH2 TYR 194.A OH no hydrogen 2.938 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 3.139 N/A LYS 145.A NZ ASP 143.A OD1 no hydrogen 2.849 N/A LYS 145.A NZ THR 180.A OG1 no hydrogen 3.260 N/A SER 146.A N GLU 209.A OE1 no hydrogen 3.130 N/A SER 146.A OG THR 107.A OG1 no hydrogen 3.283 N/A SER 146.A OG ASP 147.A OD2 no hydrogen 3.236 N/A SER 146.A OG GLU 209.A OE1 no hydrogen 3.375 N/A SER 146.A OG GLU 209.A OE2 no hydrogen 2.586 N/A SER 148.A N LYS 145.A O no hydrogen 2.829 N/A SER 148.A OG ASP 143.A O no hydrogen 2.715 N/A SER 148.A OG ASP 161.A OD2 no hydrogen 3.452 N/A ILE 149.A N SER 146.A O no hydrogen 3.192 N/A LEU 150.A N LYS 158.A O no hydrogen 2.899 N/A LEU 151.A N GLY 104.A O no hydrogen 2.854 N/A THR 152.A N ARG 156.A O no hydrogen 2.989 N/A THR 152.A OG1 ASP 154.A OD1 no hydrogen 2.678 N/A HIS 153.A N GLU 102.A OE1 no hydrogen 2.499 N/A HIS 153.A ND1 GLU 102.A OE1 no hydrogen 2.616 N/A GLY 155.A N THR 152.A O no hydrogen 3.219 N/A ARG 156.A N THR 152.A OG1 no hydrogen 2.935 N/A ARG 156.A NE ASP 154.A OD2 no hydrogen 2.781 N/A ARG 156.A NH2 ASP 154.A OD2 no hydrogen 3.345 N/A LYS 158.A N LEU 150.A O no hydrogen 2.868 N/A LYS 158.A NZ GLU 99.A OE2 no hydrogen 2.589 N/A LEU 159.A N ASN 80.A O no hydrogen 2.780 N/A SER 160.A N SER 148.A O no hydrogen 2.859 N/A SER 160.A OG ASP 161.A OD1 no hydrogen 3.500 N/A CYS 165.A N PHE 162.A O no hydrogen 3.206 N/A CYS 165.A SG ILE 140.A O no hydrogen 3.801 N/A CYS 165.A SG PHE 162.A O no hydrogen 3.296 N/A ALA 166.A N ILE 140.A O no hydrogen 3.000 N/A VAL 168.A N GLY 138.A O no hydrogen 2.732 N/A SER 169.A N VAL 172.A O no hydrogen 2.767 N/A GLU 171.A N SER 169.A OG no hydrogen 3.088 N/A VAL 172.A N SER 169.A OG no hydrogen 3.329 N/A ARG 175.A N TYR 194.A O no hydrogen 2.751 N/A THR 180.A OG1 ASP 143.A OD1 no hydrogen 3.202 N/A TYR 182.A OH GLU 220.A O no hydrogen 2.985 N/A TRP 183.A N THR 180.A O no hydrogen 3.010 N/A TRP 183.A NE1 GLU 209.A OE1 no hydrogen 2.875 N/A MET 184.A N PRO 181.A O no hydrogen 3.464 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.732 N/A ILE 189.A N ALA 185.A O no hydrogen 3.083 N/A SER 190.A N PRO 186.A O no hydrogen 3.042 N/A SER 190.A OG PRO 186.A O no hydrogen 2.955 N/A ARG 191.A N LEU 188.A O no hydrogen 3.033 N/A LEU 192.A N GLU 187.A O no hydrogen 3.097 N/A TYR 194.A N ARG 175.A O no hydrogen 2.801 N/A GLY 195.A N GLU 197.A OE1 no hydrogen 3.224 N/A ASP 199.A N PRO 196.A O no hydrogen 3.168 N/A TRP 201.A N GLU 197.A O no hydrogen 3.349 N/A SER 202.A N VAL 198.A O no hydrogen 3.200 N/A SER 202.A OG TRP 183.A O no hydrogen 2.633 N/A SER 202.A OG VAL 198.A O no hydrogen 3.074 N/A LEU 203.A N ASP 199.A O no hydrogen 2.938 N/A GLY 204.A N ILE 200.A O no hydrogen 3.086 N/A ILE 205.A N TRP 201.A O no hydrogen 3.023 N/A MET 206.A N SER 202.A O no hydrogen 2.900 N/A VAL 207.A N LEU 203.A O no hydrogen 2.945 N/A VAL 207.A N GLY 204.A O no hydrogen 3.287 N/A ILE 208.A N GLY 204.A O no hydrogen 3.346 N/A GLU 209.A N ILE 205.A O no hydrogen 3.028 N/A MET 210.A N MET 206.A O no hydrogen 3.098 N/A VAL 211.A N VAL 207.A O no hydrogen 2.875 N/A ASP 212.A N ILE 208.A O no hydrogen 2.656 N/A GLY 213.A N GLU 209.A O no hydrogen 2.826 N/A GLU 220.A N TYR 217.A O no hydrogen 3.083 N/A ALA 225.A N PRO 221.A O no hydrogen 2.988 N/A MET 226.A N PRO 222.A O no hydrogen 3.284 N/A LYS 227.A N LEU 223.A O no hydrogen 3.489 N/A MET 228.A N LYS 224.A O no hydrogen 3.432 N/A ILE 229.A N ALA 225.A O no hydrogen 3.071 N/A ARG 230.A N MET 226.A O no hydrogen 2.896 N/A ARG 230.A NE ASP 231.A OD1 no hydrogen 2.953 N/A ARG 230.A NH2 ASP 231.A OD1 no hydrogen 3.230 N/A ASP 231.A N LYS 227.A O no hydrogen 2.930 N/A ASN 232.A N MET 228.A O no hydrogen 2.961 N/A LYS 238.A N ASP 212.A OD2 no hydrogen 3.213 N/A SER 244.A N GLU 117.A OE2 no hydrogen 2.914 N/A SER 244.A OG GLU 117.A OE1 no hydrogen 2.649 N/A SER 244.A OG GLU 117.A OE2 no hydrogen 3.365 N/A LYS 248.A N SER 244.A O no hydrogen 3.098 N/A GLY 249.A N PRO 245.A O no hydrogen 2.836 N/A PHE 250.A N SER 246.A O no hydrogen 3.093 N/A LEU 251.A N LEU 247.A O no hydrogen 2.751 N/A ASP 252.A N LYS 248.A O no hydrogen 2.981 N/A ARG 253.A N PHE 250.A O no hydrogen 3.171 N/A ARG 253.A NH1 GLN 261.A O no hydrogen 2.983 N/A ARG 253.A NH2 GLN 261.A O no hydrogen 3.308 N/A LEU 254.A N LEU 251.A O no hydrogen 3.084 N/A LEU 255.A N LEU 251.A O no hydrogen 2.970 N/A ARG 257.A NE ASN 232.A O no hydrogen 3.230 N/A ARG 257.A NH2 ARG 230.A O no hydrogen 2.581 N/A ARG 257.A NH2 ASN 232.A O no hydrogen 3.093 N/A GLN 261.A N ASP 258.A O no hydrogen 3.169 N/A ARG 262.A N ASP 258.A O no hydrogen 3.212 N/A ARG 262.A NE VAL 256.A O no hydrogen 2.728 N/A ARG 262.A NH1 GLU 187.A OE2 no hydrogen 2.788 N/A ARG 262.A NH1 GLU 197.A O no hydrogen 2.826 N/A ARG 262.A NH2 GLU 187.A OE1 no hydrogen 3.015 N/A ARG 262.A NH2 GLU 187.A OE2 no hydrogen 3.530 N/A ARG 262.A NH2 VAL 256.A O no hydrogen 2.886 N/A ARG 262.A NH2 ARG 257.A O no hydrogen 3.122 N/A ALA 263.A N ARG 253.A O no hydrogen 3.258 N/A THR 264.A N GLU 267.A OE1 no hydrogen 3.321 N/A LEU 268.A N THR 264.A O no hydrogen 2.844 N/A LEU 269.A N ALA 265.A O no hydrogen 3.017 N/A LYS 270.A N GLU 267.A O no hydrogen 3.071 N/A HIS 271.A N LEU 268.A O no hydrogen 2.982 N/A PHE 273.A N HIS 271.A ND1 no hydrogen 3.185 N/A LEU 274.A N HIS 271.A O no hydrogen 2.978 N/A ALA 275.A N PRO 272.A O no hydrogen 3.219 N/A LYS 276.A N PHE 273.A O no hydrogen 3.060 N/A LYS 276.A NZ GLU 117.A OE1 no hydrogen 3.169 N/A LYS 276.A NZ SER 244.A OG no hydrogen 3.095 N/A ALA 277.A N LEU 274.A O no hydrogen 3.267 N/A GLY 278.A N GLU 118.A O no hydrogen 3.251 N/A SER 282.A N PRO 279.A O no hydrogen 2.990 N/A SER 282.A OG PRO 279.A O no hydrogen 2.920 N/A ILE 283.A N PRO 280.A O no hydrogen 3.010 N/A LEU 286.A N ILE 283.A O no hydrogen 2.993 N/A MET 287.A N VAL 284.A O no hydrogen 3.225 N/A ARG 288.A NH1 ASP 108.A OD2 no hydrogen 3.397 N/A ASN 290.A N MET 287.A O no hydrogen 2.885 N/A ARG 291.A N ARG 288.A O no hydrogen 3.224 N/A ARG 291.A NH1 ASP 108.A OD2 no hydrogen 2.989 N/A ARG 291.A NH1 LEU 286.A O no hydrogen 3.033 N/A