Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6tux_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 158.A OG no hydrogen 2.894 N/A TRP 7.A NE1 ASP 156.A O no hydrogen 2.986 N/A LEU 9.A N GLY 5.A O no hydrogen 3.155 N/A LEU 10.A N LEU 6.A O no hydrogen 2.901 N/A CYS 12.A SG LEU 9.A O no hydrogen 3.490 N/A SER 13.A N LEU 10.A O no hydrogen 2.977 N/A ARG 15.A N TYR 181.A O no hydrogen 2.909 N/A VAL 17.A N VAL 179.A O no hydrogen 2.869 N/A ALA 21.A N SER 18.A O no hydrogen 2.747 N/A LEU 22.A N PRO 19.A O no hydrogen 3.309 N/A GLU 23.A N GLU 20.A O no hydrogen 3.373 N/A GLY 24.A N ARG 69.A O no hydrogen 3.176 N/A LYS 25.A N LEU 22.A O no hydrogen 3.316 N/A LEU 27.A N ARG 71.A O no hydrogen 3.401 N/A ALA 28.A N GLY 152.A O no hydrogen 3.386 N/A VAL 29.A N ILE 73.A O no hydrogen 2.985 N/A ILE 31.A N VAL 75.A O no hydrogen 3.403 N/A SER 32.A N ASP 30.A OD1 no hydrogen 2.942 N/A TRP 34.A N ILE 31.A O no hydrogen 2.822 N/A LEU 35.A N ILE 31.A O no hydrogen 3.337 N/A ASN 36.A N SER 32.A O no hydrogen 3.170 N/A GLN 37.A N TRP 34.A O no hydrogen 3.303 N/A ALA 38.A N TRP 34.A O no hydrogen 3.029 N/A SER 49.A N ASN 48.A OD1 no hydrogen 2.484 N/A SER 49.A OG ASN 48.A OD1 no hydrogen 3.173 N/A HIS 54.A NE2 GLU 118.A OE1 no hydrogen 3.074 N/A LEU 56.A N ASN 52.A O no hydrogen 3.349 N/A THR 57.A N PRO 53.A O no hydrogen 2.919 N/A THR 57.A OG1 PRO 53.A O no hydrogen 2.841 N/A THR 57.A OG1 HIS 54.A O no hydrogen 2.952 N/A LEU 58.A N HIS 54.A O no hydrogen 2.902 N/A PHE 59.A N LEU 55.A O no hydrogen 2.866 N/A HIS 60.A N LEU 56.A O no hydrogen 2.972 N/A ARG 61.A N THR 57.A O no hydrogen 2.918 N/A LEU 62.A N LEU 58.A O no hydrogen 2.850 N/A CYS 63.A N PHE 59.A O no hydrogen 2.929 N/A CYS 63.A SG PHE 59.A O no hydrogen 3.425 N/A CYS 63.A SG SER 320.A O no hydrogen 3.893 N/A LYS 64.A N HIS 60.A O no hydrogen 2.954 N/A LYS 64.A NZ PHE 172.A O no hydrogen 2.794 N/A LEU 65.A N ARG 61.A O no hydrogen 2.864 N/A LEU 66.A N LEU 62.A O no hydrogen 2.939 N/A PHE 67.A N CYS 63.A O no hydrogen 2.897 N/A PHE 68.A N LYS 64.A O no hydrogen 3.331 N/A PHE 68.A N LEU 65.A O no hydrogen 3.236 N/A ARG 69.A N LEU 66.A O no hydrogen 3.178 N/A ILE 70.A N LEU 65.A O no hydrogen 3.199 N/A ARG 71.A N LYS 25.A O no hydrogen 3.319 N/A ARG 71.A NH2 GLY 24.A O no hydrogen 2.589 N/A ILE 73.A N LEU 27.A O no hydrogen 2.891 N/A PHE 74.A N PRO 129.A O no hydrogen 3.299 N/A VAL 75.A N VAL 29.A O no hydrogen 3.030 N/A PHE 76.A N ILE 131.A O no hydrogen 2.937 N/A ASP 77.A N SER 32.A OG no hydrogen 2.436 N/A GLY 78.A N MET 135.A O no hydrogen 2.695 N/A ASP 79.A N PRO 134.A O no hydrogen 3.124 N/A LYS 85.A N PRO 81.A O no hydrogen 3.182 N/A LYS 85.A NZ ALA 80.A O no hydrogen 3.111 N/A GLN 86.A N LEU 82.A O no hydrogen 2.925 N/A THR 87.A N LEU 83.A O no hydrogen 2.895 N/A THR 87.A OG1 LEU 83.A O no hydrogen 2.773 N/A THR 87.A OG1 ASP 208.A O no hydrogen 3.347 N/A LEU 88.A N LYS 84.A O no hydrogen 2.912 N/A VAL 89.A N LYS 85.A O no hydrogen 2.889 N/A VAL 89.A N GLN 86.A O no hydrogen 3.126 N/A LYS 90.A N GLN 86.A O no hydrogen 2.917 N/A ARG 91.A N THR 87.A O no hydrogen 2.918 N/A ARG 91.A NH2 SER 207.A O no hydrogen 3.452 N/A ARG 92.A N VAL 89.A O no hydrogen 3.147 N/A ARG 92.A NH2 GLN 104.A OE1 no hydrogen 3.224 N/A GLN 93.A N VAL 89.A O no hydrogen 2.792 N/A ALA 108.A N GLN 104.A O no hydrogen 2.979 N/A ALA 109.A N GLU 105.A O no hydrogen 2.859 N/A VAL 111.A N ILE 107.A O no hydrogen 3.025 N/A THR 112.A N ALA 108.A O no hydrogen 2.897 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.483 N/A THR 112.A OG1 ALA 109.A O no hydrogen 3.011 N/A GLY 113.A N ALA 109.A O no hydrogen 2.864 N/A GLN 114.A N THR 110.A O no hydrogen 2.954 N/A MET 115.A N VAL 111.A O no hydrogen 2.985 N/A PHE 116.A N THR 112.A O no hydrogen 2.791 N/A LEU 117.A N GLY 113.A O no hydrogen 2.979 N/A GLU 118.A N GLN 114.A O no hydrogen 2.962 N/A SER 119.A N MET 115.A O no hydrogen 2.882 N/A GLN 120.A N PHE 116.A O no hydrogen 2.863 N/A GLU 121.A N LEU 117.A O no hydrogen 2.933 N/A LEU 122.A N GLU 118.A O no hydrogen 3.000 N/A LEU 123.A N SER 119.A O no hydrogen 2.897 N/A ARG 124.A N GLN 120.A O no hydrogen 2.882 N/A ARG 124.A NH1 TYR 130.A OH no hydrogen 3.313 N/A LEU 125.A N GLU 121.A O no hydrogen 2.978 N/A PHE 126.A N LEU 122.A O no hydrogen 3.095 N/A GLY 127.A N ARG 124.A O no hydrogen 2.994 N/A ILE 128.A N LEU 123.A O no hydrogen 3.315 N/A ILE 131.A N PHE 74.A O no hydrogen 2.883 N/A GLN 132.A NE2 ASP 77.A O no hydrogen 2.486 N/A GLN 132.A NE2 ALA 133.A O no hydrogen 2.756 N/A ALA 133.A N PHE 76.A O no hydrogen 2.863 N/A ALA 137.A N ASP 77.A OD1 no hydrogen 3.085 N/A CYS 141.A N ALA 137.A O no hydrogen 2.893 N/A CYS 141.A SG ALA 137.A O no hydrogen 3.139 N/A ALA 142.A N GLU 138.A O no hydrogen 2.902 N/A ILE 143.A N ALA 139.A O no hydrogen 2.913 N/A ASP 145.A N CYS 141.A O no hydrogen 2.932 N/A LEU 146.A N ALA 142.A O no hydrogen 2.887 N/A THR 147.A N ILE 143.A O no hydrogen 3.145 N/A THR 147.A OG1 ILE 143.A O no hydrogen 2.615 N/A THR 147.A OG1 LEU 144.A O no hydrogen 3.225 N/A ASP 148.A N ASP 145.A O no hydrogen 3.272 N/A GLN 149.A N LEU 144.A O no hydrogen 2.969 N/A GLN 149.A NE2 THR 147.A OG1 no hydrogen 2.437 N/A THR 150.A OG1 GLY 152.A O no hydrogen 2.949 N/A SER 151.A N ILE 26.A O no hydrogen 2.675 N/A ILE 154.A N ALA 28.A O no hydrogen 2.850 N/A THR 155.A N TYR 169.A O no hydrogen 3.118 N/A THR 155.A OG1 GLU 138.A OE1 no hydrogen 2.671 N/A THR 155.A OG1 GLU 138.A OE2 no hydrogen 3.547 N/A ASP 157.A N THR 155.A OG1 no hydrogen 3.004 N/A SER 158.A OG VAL 3.A O no hydrogen 3.468 N/A ALA 159.A N ASP 157.A OD1 no hydrogen 3.026 N/A ILE 160.A N ASP 157.A O no hydrogen 3.222 N/A TRP 161.A N SER 158.A O no hydrogen 2.932 N/A LEU 162.A N ALA 159.A O no hydrogen 2.916 N/A PHE 163.A N ILE 160.A O no hydrogen 2.932 N/A GLY 164.A N TRP 161.A O no hydrogen 3.029 N/A ALA 165.A N ILE 160.A O no hydrogen 3.493 N/A ARG 166.A N ASP 145.A OD2 no hydrogen 3.303 N/A HIS 167.A N ASP 145.A OD2 no hydrogen 2.804 N/A VAL 168.A N TYR 182.A O no hydrogen 2.936 N/A TYR 169.A N THR 153.A O no hydrogen 3.012 N/A ARG 170.A N GLU 180.A O no hydrogen 2.875 N/A ARG 170.A NH1 GLU 11.A OE2 no hydrogen 3.330 N/A ARG 170.A NH1 TYR 182.A OH no hydrogen 3.156 N/A ASN 171.A N ASP 156.A OD1 no hydrogen 2.933 N/A ASN 176.A N ASN 174.A OD1 no hydrogen 3.304 N/A GLU 180.A N ARG 170.A O no hydrogen 2.903 N/A TYR 181.A N ARG 15.A O no hydrogen 2.900 N/A TYR 182.A N VAL 168.A O no hydrogen 2.890 N/A TYR 182.A OH GLU 180.A OE1 no hydrogen 2.717 N/A GLN 183.A NE2 TYR 181.A OH no hydrogen 2.896 N/A TYR 184.A N ARG 166.A O no hydrogen 2.726 N/A ASP 186.A N GLN 183.A O no hydrogen 3.178 N/A PHE 187.A N GLN 183.A O no hydrogen 3.362 N/A HIS 188.A N TYR 184.A O no hydrogen 2.879 N/A ASN 189.A N VAL 185.A O no hydrogen 2.936 N/A GLN 190.A N ASP 186.A O no hydrogen 2.894 N/A LEU 191.A N PHE 187.A O no hydrogen 2.886 N/A GLY 192.A N HIS 188.A O no hydrogen 2.962 N/A ARG 195.A NE LEU 162.A O no hydrogen 2.772 N/A ARG 195.A NH2 TYR 280.A O no hydrogen 2.585 N/A ASN 196.A N ASP 194.A OD2 no hydrogen 3.413 N/A LYS 197.A N ASP 194.A OD1 no hydrogen 3.095 N/A LYS 197.A NZ GLY 192.A O no hydrogen 3.336 N/A LEU 198.A N ASP 194.A O no hydrogen 3.264 N/A ILE 199.A N ARG 195.A O no hydrogen 2.915 N/A ASN 200.A N ASN 196.A O no hydrogen 2.941 N/A ASN 200.A ND2 GLY 232.A O no hydrogen 2.947 N/A LEU 201.A N LYS 197.A O no hydrogen 2.864 N/A ALA 202.A N LEU 198.A O no hydrogen 2.909 N/A TYR 203.A N ILE 199.A O no hydrogen 2.932 N/A TYR 203.A OH ASN 273.A O no hydrogen 2.306 N/A LEU 204.A N ASN 200.A O no hydrogen 2.974 N/A LEU 205.A N LEU 201.A O no hydrogen 2.823 N/A GLY 206.A N ALA 202.A O no hydrogen 2.934 N/A SER 207.A N THR 210.A O no hydrogen 2.626 N/A SER 207.A OG TYR 280.A OH no hydrogen 2.575 N/A TYR 209.A N SER 207.A OG no hydrogen 3.283 N/A TYR 209.A OH GLU 136.A OE2 no hydrogen 2.764 N/A THR 210.A N SER 207.A O no hydrogen 3.312 N/A THR 210.A OG1 GLU 211.A O no hydrogen 3.180 N/A ILE 213.A N LEU 204.A O no hydrogen 2.887 N/A VAL 216.A N ILE 213.A O no hydrogen 3.026 N/A ALA 221.A N GLY 217.A O no hydrogen 2.854 N/A MET 222.A N CYS 218.A O no hydrogen 2.912 N/A GLU 223.A N VAL 219.A O no hydrogen 2.920 N/A ILE 224.A N THR 220.A O no hydrogen 2.886 N/A LEU 225.A N ALA 221.A O no hydrogen 2.941 N/A ASN 226.A N MET 222.A O no hydrogen 2.898 N/A GLU 227.A N ILE 224.A O no hydrogen 2.798 N/A PHE 228.A N ILE 224.A O no hydrogen 3.109 N/A HIS 231.A N GLU 234.A OE1 no hydrogen 3.345 N/A GLU 234.A N HIS 231.A O no hydrogen 3.084 N/A LEU 237.A N LEU 233.A O no hydrogen 3.486 N/A LYS 238.A N GLU 234.A O no hydrogen 2.940 N/A LYS 238.A NZ PRO 229.A O no hydrogen 2.596 N/A PHE 239.A N PRO 235.A O no hydrogen 2.893 N/A SER 240.A N LEU 236.A O no hydrogen 2.872 N/A SER 240.A OG PHE 271.A O no hydrogen 3.008 N/A GLU 241.A N LEU 237.A O no hydrogen 2.948 N/A TRP 242.A N LYS 238.A O no hydrogen 2.901 N/A TRP 243.A N PHE 239.A O no hydrogen 2.862 N/A TRP 243.A NE1 LEU 265.A O no hydrogen 2.711 N/A HIS 244.A N SER 240.A O no hydrogen 2.901 N/A GLU 245.A N GLU 241.A O no hydrogen 3.012 N/A ALA 246.A N TRP 242.A O no hydrogen 2.846 N/A GLN 247.A N TRP 243.A O no hydrogen 2.948 N/A HIS 254.A N ASN 252.A O no hydrogen 2.733 N/A HIS 254.A ND1 HIS 254.A O no hydrogen 2.698 N/A LYS 260.A N THR 256.A O no hydrogen 2.909 N/A LYS 260.A NZ ASP 255.A O no hydrogen 3.153 N/A LYS 261.A N LYS 257.A O no hydrogen 2.930 N/A LYS 261.A N VAL 258.A O no hydrogen 3.095 N/A LEU 262.A N VAL 258.A O no hydrogen 2.890 N/A ARG 263.A N LYS 259.A O no hydrogen 3.369 N/A THR 264.A OG1 LYS 261.A O no hydrogen 2.688 N/A PHE 271.A N THR 268.A O no hydrogen 3.085 N/A ALA 275.A N ASN 273.A OD1 no hydrogen 3.159 N/A VAL 276.A N ASN 273.A O no hydrogen 3.025 N/A ALA 277.A N TYR 203.A OH no hydrogen 2.800 N/A GLU 278.A N PRO 274.A O no hydrogen 2.932 N/A ALA 279.A N ALA 275.A O no hydrogen 2.862 N/A TYR 280.A N VAL 276.A O no hydrogen 2.985 N/A TYR 280.A OH SER 207.A OG no hydrogen 2.575 N/A LEU 281.A N ALA 277.A O no hydrogen 2.881 N/A LYS 282.A N GLU 278.A O no hydrogen 2.867 N/A ASP 286.A N GLN 140.A OE1 no hydrogen 2.649 N/A SER 288.A N ASP 286.A OD1 no hydrogen 3.359 N/A SER 288.A OG ASP 286.A OD2 no hydrogen 3.007 N/A GLY 290.A N GLN 149.A OE1 no hydrogen 2.722 N/A TRP 294.A NE1 PRO 72.A O no hydrogen 2.951 N/A GLY 295.A N GLY 127.A O no hydrogen 2.730 N/A ILE 302.A N ASP 298.A O no hydrogen 3.306 N/A ARG 303.A N LEU 299.A O no hydrogen 2.864 N/A GLU 304.A N ASP 300.A O no hydrogen 2.931 N/A PHE 305.A N LYS 301.A O no hydrogen 2.908 N/A CYS 306.A N ILE 302.A O no hydrogen 2.877 N/A CYS 306.A SG ILE 302.A O no hydrogen 3.296 N/A GLN 307.A N ARG 303.A O no hydrogen 2.891 N/A ARG 308.A N GLU 304.A O no hydrogen 2.903 N/A TYR 309.A N PHE 305.A O no hydrogen 2.950 N/A TYR 309.A OH GLU 121.A OE2 no hydrogen 3.304 N/A PHE 310.A N CYS 306.A O no hydrogen 2.869 N/A GLY 311.A N CYS 306.A O no hydrogen 3.080 N/A GLY 311.A N GLN 307.A O no hydrogen 3.064 N/A LYS 316.A N ASN 313.A O no hydrogen 3.197 N/A LYS 316.A N ASN 313.A OD1 no hydrogen 3.265 N/A THR 317.A N ASN 313.A O no hydrogen 3.242 N/A ASP 318.A N ARG 314.A O no hydrogen 2.885 N/A GLU 319.A N THR 315.A O no hydrogen 2.957 N/A SER 320.A N LYS 316.A O no hydrogen 2.921 N/A SER 320.A OG LYS 316.A O no hydrogen 3.539 N/A LEU 321.A N ASP 318.A O no hydrogen 3.114 N/A PHE 322.A N GLU 319.A O no hydrogen 3.460 N/A LEU 325.A N LEU 321.A O no hydrogen 3.212 N/A LYS 326.A N PHE 322.A O no hydrogen 2.948 N/A GLN 327.A N PRO 323.A O no hydrogen 2.915 N/A LEU 328.A N VAL 324.A O no hydrogen 2.968 N/A ASP 329.A N GLN 327.A O no hydrogen 2.772 N/A