Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6x3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N ASN 2.A O no hydrogen 3.202 N/A LYS 7.A N MET 3.A O no hydrogen 2.933 N/A GLU 8.A N SER 4.A O no hydrogen 2.931 N/A THR 9.A N LEU 5.A O no hydrogen 2.912 N/A THR 9.A OG1 LEU 5.A O no hydrogen 2.795 N/A VAL 10.A N VAL 6.A O no hydrogen 2.961 N/A ASP 11.A N LYS 7.A O no hydrogen 2.943 N/A ARG 12.A N GLU 8.A O no hydrogen 2.883 N/A LEU 13.A N THR 9.A O no hydrogen 2.930 N/A LEU 14.A N VAL 10.A O no hydrogen 2.994 N/A LYS 15.A N ARG 12.A O no hydrogen 3.425 N/A TYR 17.A OH ASP 63.A OD2 no hydrogen 2.991 N/A ARG 20.A NE ASP 18.A OD1 no hydrogen 2.946 N/A ARG 22.A NE ASP 157.A OD1 no hydrogen 2.997 N/A ARG 22.A NH1 PRO 23.A O no hydrogen 2.878 N/A ARG 22.A NH2 ASP 157.A OD1 no hydrogen 2.518 N/A VAL 30.A N ASP 157.A O no hydrogen 3.503 N/A VAL 32.A N GLU 159.A O no hydrogen 2.849 N/A GLY 33.A N ALA 60.A O no hydrogen 2.881 N/A MET 34.A N TYR 161.A O no hydrogen 3.173 N/A ASN 35.A N GLN 58.A O no hydrogen 3.020 N/A ILE 36.A N ALA 168.A O no hydrogen 2.978 N/A ASP 37.A N TYR 56.A O no hydrogen 2.941 N/A ILE 38.A N THR 170.A O no hydrogen 3.424 N/A ALA 39.A N THR 54.A O no hydrogen 2.828 N/A SER 40.A N THR 54.A O no hydrogen 3.471 N/A SER 40.A OG ASP 42.A OD1 no hydrogen 2.437 N/A ASP 42.A N THR 52.A O no hydrogen 2.699 N/A SER 45.A N ASP 50.A O no hydrogen 2.983 N/A ASN 48.A N SER 45.A OG no hydrogen 3.104 N/A ASP 50.A N SER 45.A O no hydrogen 3.389 N/A TYR 51.A N ALA 128.A O no hydrogen 3.019 N/A LEU 53.A N THR 126.A O no hydrogen 2.907 N/A THR 54.A N SER 40.A O no hydrogen 3.130 N/A MET 55.A N ILE 124.A O no hydrogen 2.907 N/A TYR 56.A N ASP 37.A O no hydrogen 2.788 N/A PHE 57.A N LEU 122.A O no hydrogen 2.705 N/A GLN 58.A N ASN 35.A O no hydrogen 3.002 N/A GLN 59.A N TYR 120.A O no hydrogen 2.723 N/A ALA 60.A N GLY 33.A O no hydrogen 2.954 N/A TRP 61.A N VAL 118.A O no hydrogen 3.266 N/A ASP 63.A N GLY 116.A O no hydrogen 3.188 N/A ARG 65.A N ASP 63.A OD1 no hydrogen 3.070 N/A ARG 65.A NE ASP 63.A OD1 no hydrogen 3.281 N/A ARG 65.A NH1 ASP 18.A O no hydrogen 3.216 N/A ARG 65.A NH2 LEU 21.A O no hydrogen 3.061 N/A ARG 65.A NH2 ASP 63.A OD2 no hydrogen 3.457 N/A LEU 66.A N ASP 63.A O no hydrogen 3.383 N/A SER 67.A OG LYS 64.A O no hydrogen 3.467 N/A TYR 68.A OH LEU 73.A O no hydrogen 3.370 N/A TYR 68.A OH LEU 112.A O no hydrogen 3.355 N/A LEU 75.A N LEU 112.A O no hydrogen 2.939 N/A LEU 77.A N ILE 110.A O no hydrogen 3.149 N/A VAL 81.A N ASP 78.A O no hydrogen 3.092 N/A ALA 82.A N ASN 79.A O no hydrogen 3.137 N/A GLN 84.A N VAL 81.A O no hydrogen 3.038 N/A TRP 86.A NE1 TYR 153.A OH no hydrogen 2.913 N/A TYR 91.A N GLU 149.A O no hydrogen 2.817 N/A TYR 91.A OH GLU 149.A OE2 no hydrogen 3.189 N/A LEU 93.A N GLU 147.A O no hydrogen 3.355 N/A ASN 94.A ND2 THR 145.A O no hydrogen 2.568 N/A LYS 96.A N THR 127.A O no hydrogen 2.925 N/A LYS 96.A NZ ASP 50.A OD2 no hydrogen 2.908 N/A HIS 101.A NE2 THR 125.A OG1 no hydrogen 2.442 N/A ASN 107.A N HIS 101.A O no hydrogen 2.952 N/A ASN 107.A ND2 VAL 103.A O no hydrogen 3.127 N/A ARG 108.A NH2 ASN 79.A O no hydrogen 3.474 N/A ARG 108.A NH2 ASP 83.A OD1 no hydrogen 2.843 N/A MET 109.A N GLY 121.A O no hydrogen 3.016 N/A ARG 111.A N LEU 119.A O no hydrogen 2.957 N/A LEU 112.A N LEU 75.A O no hydrogen 2.843 N/A HIS 113.A N THR 117.A O no hydrogen 3.063 N/A HIS 113.A ND1 THR 117.A O no hydrogen 2.937 N/A GLY 116.A N HIS 113.A O no hydrogen 3.125 N/A THR 117.A OG1 ASP 115.A OD2 no hydrogen 2.331 N/A VAL 118.A N TRP 61.A O no hydrogen 2.977 N/A LEU 119.A N ARG 111.A O no hydrogen 2.910 N/A TYR 120.A N GLN 59.A O no hydrogen 2.896 N/A GLY 121.A N MET 109.A O no hydrogen 3.031 N/A LEU 122.A N PHE 57.A O no hydrogen 2.638 N/A ARG 123.A NH2 ASN 107.A OD1 no hydrogen 3.314 N/A ILE 124.A N MET 55.A O no hydrogen 2.980 N/A THR 125.A N PHE 99.A O no hydrogen 3.341 N/A THR 125.A OG1 HIS 101.A NE2 no hydrogen 2.442 N/A THR 126.A N LEU 53.A O no hydrogen 2.880 N/A ALA 129.A N ASN 94.A O no hydrogen 2.817 N/A CYS 130.A N MET 49.A O no hydrogen 3.388 N/A ASP 133.A N GLN 142.A OE1 no hydrogen 3.275 N/A ARG 135.A NE ASP 133.A OD1 no hydrogen 3.441 N/A ARG 136.A NH1 TYR 333.A O no hydrogen 3.207 N/A TYR 137.A N LEU 134.A O no hydrogen 3.328 N/A GLN 142.A N LEU 208.A O no hydrogen 2.838 N/A GLN 142.A NE2 ASP 133.A O no hydrogen 2.957 N/A GLN 142.A NE2 ASP 140.A OD2 no hydrogen 2.793 N/A THR 145.A OG1 GLU 147.A OE2 no hydrogen 3.156 N/A LEU 146.A N LEU 204.A O no hydrogen 3.261 N/A ILE 148.A N LEU 202.A O no hydrogen 2.929 N/A GLU 149.A N TYR 91.A O no hydrogen 2.935 N/A TYR 151.A N ASP 89.A O no hydrogen 3.297 N/A THR 154.A OG1 ASP 156.A OD2 no hydrogen 3.054 N/A THR 155.A N SER 198.A O no hydrogen 2.914 N/A ASP 157.A N THR 154.A O no hydrogen 3.077 N/A ILE 158.A N THR 154.A O no hydrogen 3.156 N/A TYR 161.A N VAL 32.A O no hydrogen 3.335 N/A ARG 163.A N MET 34.A O no hydrogen 3.260 N/A THR 170.A N ILE 36.A O no hydrogen 3.301 N/A VAL 183.A N LYS 207.A O no hydrogen 3.213 N/A TYR 185.A OH ASP 166.A O no hydrogen 3.295 N/A LYS 186.A N SER 205.A O no hydrogen 3.235 N/A ILE 188.A N SER 203.A O no hydrogen 2.914 N/A LYS 190.A N ARG 201.A O no hydrogen 3.116 N/A LYS 191.A NZ THR 155.A OG1 no hydrogen 3.392 N/A VAL 192.A N TYR 199.A O no hydrogen 2.949 N/A PHE 194.A N GLY 197.A O no hydrogen 2.942 N/A THR 196.A OG1 TYR 199.A OH no hydrogen 2.757 N/A GLY 197.A N PHE 194.A O no hydrogen 3.085 N/A TYR 199.A N VAL 192.A O no hydrogen 2.881 N/A TYR 199.A OH THR 196.A OG1 no hydrogen 2.757 N/A ARG 201.A N LYS 190.A O no hydrogen 3.073 N/A ARG 201.A NE GLU 149.A OE1 no hydrogen 3.095 N/A ARG 201.A NH2 GLU 149.A OE1 no hydrogen 2.453 N/A LEU 202.A N ILE 148.A O no hydrogen 2.860 N/A SER 203.A N ILE 188.A O no hydrogen 2.934 N/A SER 203.A OG GLU 147.A OE2 no hydrogen 3.081 N/A LEU 204.A N LEU 146.A O no hydrogen 3.395 N/A SER 205.A N LYS 186.A O no hydrogen 2.977 N/A PHE 206.A N CYS 144.A O no hydrogen 3.460 N/A LYS 207.A N ASP 184.A O no hydrogen 3.397 N/A LYS 207.A NZ GLU 141.A OE1 no hydrogen 2.737 N/A LYS 207.A NZ GLU 141.A OE2 no hydrogen 3.392 N/A LEU 208.A N GLN 142.A O no hydrogen 2.921 N/A LYS 209.A N SER 181.A O no hydrogen 3.416 N/A ARG 210.A N ASP 140.A O no hydrogen 3.300 N/A ARG 210.A NE ASP 140.A OD1 no hydrogen 2.812 N/A ARG 210.A NH1 GLU 46.A OE2 no hydrogen 2.455 N/A ARG 210.A NH2 ASP 140.A OD2 no hydrogen 3.188 N/A ASN 211.A N GLN 179.A O no hydrogen 3.281 N/A ILE 216.A N ILE 212.A O no hydrogen 3.033 N/A GLN 218.A N TYR 214.A O no hydrogen 2.992 N/A THR 219.A N PHE 215.A O no hydrogen 2.924 N/A THR 219.A N ILE 216.A O no hydrogen 3.396 N/A TYR 220.A N ILE 216.A O no hydrogen 2.983 N/A TYR 220.A OH TYR 329.A OH no hydrogen 2.686 N/A MET 221.A N ILE 216.A O no hydrogen 3.429 N/A SER 223.A OG TYR 220.A O no hydrogen 2.822 N/A ILE 224.A N TYR 220.A O no hydrogen 3.270 N/A LEU 225.A N MET 221.A O no hydrogen 3.015 N/A ILE 226.A N PRO 222.A O no hydrogen 2.918 N/A THR 227.A N SER 223.A O no hydrogen 2.931 N/A THR 227.A OG1 SER 223.A O no hydrogen 2.623 N/A ILE 228.A N ILE 224.A O no hydrogen 2.927 N/A LEU 229.A N LEU 225.A O no hydrogen 2.929 N/A SER 230.A N ILE 226.A O no hydrogen 2.900 N/A SER 230.A N THR 227.A O no hydrogen 3.228 N/A TRP 231.A N THR 227.A O no hydrogen 2.910 N/A VAL 232.A N ILE 228.A O no hydrogen 2.958 N/A PHE 234.A N TRP 231.A O no hydrogen 3.079 N/A TRP 235.A N VAL 232.A O no hydrogen 3.355 N/A ILE 236.A N SER 233.A O no hydrogen 3.275 N/A ALA 240.A N ASN 237.A OD1 no hydrogen 3.468 N/A ARG 244.A NE SER 233.A OG no hydrogen 2.723 N/A VAL 245.A N SER 241.A O no hydrogen 2.959 N/A ALA 246.A N ALA 242.A O no hydrogen 2.953 N/A LEU 247.A N ALA 243.A O no hydrogen 2.982 N/A GLY 248.A N ARG 244.A O no hydrogen 2.954 N/A ILE 249.A N VAL 245.A O no hydrogen 2.895 N/A THR 250.A N ALA 246.A O no hydrogen 2.919 N/A THR 250.A OG1 ALA 246.A O no hydrogen 2.679 N/A THR 250.A OG1 LEU 247.A O no hydrogen 3.088 N/A THR 251.A N LEU 247.A O no hydrogen 2.923 N/A THR 251.A OG1 LEU 247.A O no hydrogen 2.971 N/A THR 251.A OG1 GLY 248.A O no hydrogen 2.423 N/A VAL 252.A N GLY 248.A O no hydrogen 3.018 N/A LEU 253.A N ILE 249.A O no hydrogen 2.909 N/A THR 254.A N THR 250.A O no hydrogen 2.813 N/A THR 254.A OG1 THR 250.A O no hydrogen 3.063 N/A THR 254.A OG1 THR 251.A O no hydrogen 2.539 N/A MET 255.A N THR 251.A O no hydrogen 2.875 N/A THR 256.A N VAL 252.A O no hydrogen 2.989 N/A THR 256.A OG1 VAL 252.A O no hydrogen 3.034 N/A THR 256.A OG1 LEU 253.A O no hydrogen 2.429 N/A THR 257.A N LEU 253.A O no hydrogen 2.895 N/A THR 257.A OG1 LEU 253.A O no hydrogen 3.272 N/A ILE 258.A N THR 254.A O no hydrogen 2.919 N/A ASN 259.A N MET 255.A O no hydrogen 2.989 N/A THR 260.A N THR 256.A O no hydrogen 2.942 N/A THR 260.A OG1 THR 256.A O no hydrogen 2.776 N/A THR 260.A OG1 THR 257.A O no hydrogen 2.946 N/A HIS 261.A N THR 257.A O no hydrogen 2.942 N/A LEU 262.A N ILE 258.A O no hydrogen 2.946 N/A LEU 262.A N ASN 259.A O no hydrogen 3.292 N/A ARG 263.A N ASN 259.A O no hydrogen 2.969 N/A ARG 263.A NE ASP 276.A OD1 no hydrogen 3.273 N/A ARG 263.A NE ASP 276.A OD2 no hydrogen 3.149 N/A ARG 263.A NH2 ASP 276.A OD2 no hydrogen 2.838 N/A THR 265.A OG1 LEU 262.A O no hydrogen 3.038 N/A ILE 269.A N PRO 267.A O no hydrogen 3.250 N/A ALA 274.A N TYR 137.A O no hydrogen 3.311 N/A MET 277.A N LYS 273.A O no hydrogen 3.194 N/A TYR 278.A N ALA 274.A O no hydrogen 2.963 N/A TYR 278.A OH ASN 326.A OD1 no hydrogen 2.960 N/A LEU 279.A N ILE 275.A O no hydrogen 2.951 N/A MET 280.A N ASP 276.A O no hydrogen 2.918 N/A GLY 281.A N MET 277.A O no hydrogen 2.916 N/A CYS 282.A N TYR 278.A O no hydrogen 2.973 N/A CYS 282.A SG THR 227.A OG1 no hydrogen 3.707 N/A CYS 282.A SG TYR 278.A O no hydrogen 3.716 N/A PHE 283.A N LEU 279.A O no hydrogen 2.908 N/A VAL 284.A N MET 280.A O no hydrogen 2.907 N/A PHE 285.A N GLY 281.A O no hydrogen 2.992 N/A VAL 286.A N CYS 282.A O no hydrogen 2.985 N/A PHE 287.A N PHE 283.A O no hydrogen 2.877 N/A MET 288.A N VAL 284.A O no hydrogen 2.893 N/A ALA 289.A N PHE 285.A O no hydrogen 2.980 N/A LEU 290.A N VAL 286.A O no hydrogen 2.989 N/A LEU 291.A N PHE 287.A O no hydrogen 2.950 N/A GLU 292.A N MET 288.A O no hydrogen 2.895 N/A TYR 293.A N ALA 289.A O no hydrogen 2.995 N/A ALA 294.A N LEU 290.A O no hydrogen 2.963 N/A LEU 295.A N LEU 291.A O no hydrogen 2.955 N/A VAL 296.A N GLU 292.A O no hydrogen 2.877 N/A ASN 297.A N TYR 293.A O no hydrogen 2.911 N/A TYR 298.A N ALA 294.A O no hydrogen 2.955 N/A TYR 298.A N LEU 295.A O no hydrogen 3.190 N/A ILE 299.A N LEU 295.A O no hydrogen 2.956 N/A SER 302.A OG ILE 299.A O no hydrogen 3.455 N/A GLN 303.A N ILE 299.A O no hydrogen 3.378 N/A ARG 306.A N GLN 303.A OE1 no hydrogen 2.889 N/A ALA 309.A N ALA 305.A O no hydrogen 2.938 N/A ILE 310.A N ARG 306.A O no hydrogen 2.887 N/A ASP 311.A N ALA 307.A O no hydrogen 2.935 N/A ARG 312.A N ALA 308.A O no hydrogen 2.888 N/A TRP 313.A N ALA 309.A O no hydrogen 2.917 N/A SER 314.A N ILE 310.A O no hydrogen 2.867 N/A ARG 315.A N ASP 311.A O no hydrogen 2.905 N/A ARG 315.A NH2 PHE 234.A O no hydrogen 3.298 N/A ILE 316.A N ARG 312.A O no hydrogen 2.951 N/A PHE 317.A N TRP 313.A O no hydrogen 2.924 N/A PHE 318.A N SER 314.A O no hydrogen 2.913 N/A VAL 321.A N PHE 317.A O no hydrogen 3.481 N/A PHE 322.A N PHE 318.A O no hydrogen 2.967 N/A SER 323.A N PRO 319.A O no hydrogen 2.901 N/A SER 323.A OG PRO 319.A O no hydrogen 3.329 N/A PHE 324.A N VAL 320.A O no hydrogen 2.896 N/A PHE 325.A N VAL 321.A O no hydrogen 2.938 N/A ASN 326.A N PHE 322.A O no hydrogen 2.912 N/A ILE 327.A N SER 323.A O no hydrogen 2.898 N/A VAL 328.A N PHE 324.A O no hydrogen 2.914 N/A TYR 329.A N PHE 325.A O no hydrogen 2.905 N/A TYR 329.A OH TYR 220.A OH no hydrogen 2.686 N/A TYR 329.A OH ALA 274.A O no hydrogen 2.991 N/A TRP 330.A N ASN 326.A O no hydrogen 2.979 N/A LEU 331.A N ILE 327.A O no hydrogen 2.905 N/A TYR 332.A N VAL 328.A O no hydrogen 2.855 N/A TYR 332.A N TYR 329.A O no hydrogen 3.240 N/A TYR 333.A N TYR 329.A O no hydrogen 3.018 N/A