Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLN 3.A OE1 no hydrogen 3.381 N/A TYR 6.A N TRP 2.A O no hydrogen 2.719 N/A TYR 6.A OH GLU 158.A OE2 no hydrogen 2.539 N/A ARG 7.A N GLN 3.A O no hydrogen 2.861 N/A GLN 8.A N GLU 4.A O no hydrogen 3.083 N/A ARG 9.A N TYR 6.A O no hydrogen 3.333 N/A ARG 9.A NE LEU 153.A O no hydrogen 3.122 N/A CYS 11.A N ILE 156.A O no hydrogen 2.978 N/A CYS 11.A SG SER 12.A O no hydrogen 3.771 N/A SER 12.A N GLU 15.A OE1 no hydrogen 2.467 N/A GLU 15.A N SER 12.A OG no hydrogen 2.719 N/A ALA 16.A N SER 12.A O no hydrogen 2.996 N/A VAL 17.A N ALA 13.A O no hydrogen 2.762 N/A VAL 18.A N ASP 14.A O no hydrogen 2.811 N/A ASP 19.A N GLU 15.A O no hydrogen 2.943 N/A SER 20.A N ALA 16.A O no hydrogen 2.824 N/A SER 20.A OG ALA 16.A O no hydrogen 2.695 N/A LEU 21.A N VAL 17.A O no hydrogen 2.947 N/A THR 25.A N LYS 22.A O no hydrogen 2.934 N/A THR 25.A OG1 LYS 22.A O no hydrogen 2.291 N/A LYS 26.A N ASP 97.A OD2 no hydrogen 3.512 N/A VAL 27.A N THR 54.A O no hydrogen 2.798 N/A VAL 28.A N VAL 98.A O no hydrogen 3.101 N/A PHE 29.A N PHE 56.A O no hydrogen 2.974 N/A GLY 30.A N VAL 100.A O no hydrogen 2.978 N/A ALA 32.A N LEU 59.A O no hydrogen 2.630 N/A ALA 34.A N HIS 31.A O no hydrogen 3.316 N/A VAL 37.A N ALA 35.A O no hydrogen 3.075 N/A ARG 38.A NE GLU 134.A OE2 no hydrogen 3.044 N/A ARG 38.A NH1 GLU 134.A OE2 no hydrogen 3.145 N/A PHE 39.A N GLU 134.A OE1 no hydrogen 2.923 N/A SER 40.A N PRO 36.A O no hydrogen 2.981 N/A SER 40.A OG PRO 65.A O no hydrogen 3.128 N/A GLN 41.A N VAL 37.A O no hydrogen 2.700 N/A ALA 42.A N ARG 38.A O no hydrogen 2.706 N/A MET 43.A N PHE 39.A O no hydrogen 2.948 N/A TYR 44.A N SER 40.A O no hydrogen 2.899 N/A ARG 45.A N GLN 41.A O no hydrogen 3.158 N/A ARG 45.A NE ASP 14.A OD1 no hydrogen 3.050 N/A ARG 45.A NE ASP 14.A OD2 no hydrogen 3.332 N/A ARG 45.A NH2 ASP 14.A OD1 no hydrogen 3.412 N/A ARG 45.A NH2 ASP 14.A OD2 no hydrogen 2.709 N/A GLN 46.A N ALA 42.A O no hydrogen 3.020 N/A GLN 46.A NE2 ASP 14.A OD1 no hydrogen 2.859 N/A ARG 47.A N TYR 44.A O no hydrogen 3.007 N/A LYS 49.A N GLN 46.A O no hydrogen 3.006 N/A LEU 50.A N ARG 47.A O no hydrogen 3.159 N/A ILE 53.A N GLU 51.A O no hydrogen 3.142 N/A ILE 53.A N HIS 74.A O no hydrogen 3.119 N/A THR 54.A N THR 25.A O no hydrogen 3.130 N/A VAL 55.A N HIS 76.A O no hydrogen 2.773 N/A PHE 56.A N VAL 27.A O no hydrogen 2.863 N/A PHE 61.A N ALA 32.A O no hydrogen 3.127 N/A MET 71.A N ALA 68.A O no hydrogen 3.037 N/A ARG 72.A N PRO 69.A O no hydrogen 2.896 N/A SER 73.A OG ARG 72.A O no hydrogen 2.842 N/A HIS 74.A N MET 71.A O no hydrogen 2.465 N/A HIS 74.A ND1 LEU 50.A O no hydrogen 2.807 N/A VAL 75.A N MET 71.A O no hydrogen 2.931 N/A HIS 76.A N ILE 53.A O no hydrogen 2.974 N/A THR 78.A N VAL 55.A O no hydrogen 2.829 N/A THR 78.A OG1 VAL 55.A O no hydrogen 3.448 N/A HIS 83.A N ASP 303.A OD1 no hydrogen 2.872 N/A GLU 84.A N HIS 81.A O no hydrogen 2.971 N/A VAL 85.A N PHE 82.A O no hydrogen 3.232 N/A LEU 88.A N VAL 85.A O no hydrogen 2.568 N/A ARG 90.A N PRO 86.A O no hydrogen 3.242 N/A GLY 92.A N PHE 89.A O no hydrogen 3.025 N/A PHE 94.A N LEU 88.A O no hydrogen 2.965 N/A LEU 96.A N PHE 94.A O no hydrogen 2.564 N/A ASP 97.A N LYS 26.A O no hydrogen 3.158 N/A VAL 98.A N LYS 26.A O no hydrogen 3.503 N/A ALA 99.A N VAL 130.A O no hydrogen 2.976 N/A VAL 100.A N VAL 28.A O no hydrogen 2.818 N/A VAL 101.A N VAL 132.A O no hydrogen 3.014 N/A SER 104.A N SER 113.A O no hydrogen 3.025 N/A SER 104.A OG THR 105.A O no hydrogen 2.952 N/A ASN 107.A N TYR 111.A O no hydrogen 2.982 N/A GLU 109.A N ASN 107.A OD1 no hydrogen 2.493 N/A GLY 110.A N ASN 107.A O no hydrogen 2.925 N/A CYS 112.A N ILE 148.A O no hydrogen 2.875 N/A CYS 112.A SG SER 104.A O no hydrogen 3.246 N/A SER 113.A OG ILE 142.A O no hydrogen 2.836 N/A SER 113.A OG ASN 146.A O no hydrogen 3.550 N/A PHE 114.A N ASN 146.A O no hydrogen 2.802 N/A GLY 115.A N SER 113.A OG no hydrogen 2.645 N/A SER 117.A OG HIS 31.A O no hydrogen 2.843 N/A SER 117.A OG VAL 116.A O no hydrogen 3.333 N/A SER 117.A OG ASP 119.A OD2 no hydrogen 3.088 N/A CYS 118.A N SER 246.A O no hydrogen 3.108 N/A CYS 118.A SG GLU 145.A O no hydrogen 3.734 N/A CYS 118.A SG ASN 146.A OD1 no hydrogen 3.648 N/A ASP 119.A N SER 246.A O no hydrogen 3.209 N/A TYR 120.A N ASP 119.A OD1 no hydrogen 2.477 N/A TYR 120.A OH PHE 29.A O no hydrogen 2.943 N/A THR 121.A N ASP 119.A OD1 no hydrogen 3.138 N/A LYS 122.A N CYS 118.A O no hydrogen 2.848 N/A LYS 122.A NZ GLU 126.A OE1 no hydrogen 2.872 N/A ALA 124.A N TYR 120.A O no hydrogen 3.032 N/A ALA 125.A N THR 121.A O no hydrogen 3.201 N/A GLU 126.A N LYS 122.A O no hydrogen 2.887 N/A CYS 127.A N ALA 124.A O no hydrogen 2.731 N/A VAL 130.A N ASP 97.A O no hydrogen 3.318 N/A VAL 131.A N THR 154.A OG1 no hydrogen 3.098 N/A VAL 132.A N ALA 99.A O no hydrogen 2.878 N/A ALA 133.A N HIS 155.A O no hydrogen 3.119 N/A GLU 134.A N VAL 101.A O no hydrogen 2.850 N/A VAL 135.A N ILE 157.A O no hydrogen 3.030 N/A ASN 136.A N VAL 103.A O no hydrogen 2.817 N/A ASN 136.A ND2 GLU 161.A O no hydrogen 2.942 N/A LYS 137.A N VAL 159.A O no hydrogen 2.987 N/A GLN 138.A N ASN 136.A OD1 no hydrogen 2.817 N/A MET 139.A N ASN 136.A O no hydrogen 3.090 N/A PHE 141.A N ASN 259.A OD1 no hydrogen 2.824 N/A ILE 142.A N SER 113.A OG no hydrogen 3.327 N/A ASN 146.A ND2 GLY 115.A O no hydrogen 2.975 N/A ASN 146.A ND2 ILE 142.A O no hydrogen 3.252 N/A ILE 148.A N CYS 112.A O no hydrogen 2.511 N/A ILE 150.A N GLY 110.A O no hydrogen 2.886 N/A LYS 152.A N HIS 149.A O no hydrogen 2.993 N/A LEU 153.A N ILE 150.A O no hydrogen 3.245 N/A THR 154.A N VAL 131.A O no hydrogen 3.068 N/A ILE 156.A N ARG 9.A O no hydrogen 2.857 N/A ILE 157.A N ALA 133.A O no hydrogen 3.155 N/A VAL 159.A N VAL 135.A O no hydrogen 2.735 N/A VAL 166.A N GLY 250.A O no hydrogen 2.895 N/A SER 170.A OG ASP 171.A OD2 no hydrogen 3.044 N/A SER 170.A OG GLU 173.A OE1 no hydrogen 3.480 N/A GLU 173.A N SER 170.A OG no hydrogen 3.177 N/A LEU 174.A N SER 170.A O no hydrogen 2.974 N/A ARG 175.A N ASP 171.A O no hydrogen 3.446 N/A ILE 176.A N LEU 172.A O no hydrogen 3.150 N/A GLY 177.A N GLU 173.A O no hydrogen 2.925 N/A GLN 178.A N LEU 174.A O no hydrogen 2.836 N/A ASN 179.A N ARG 175.A O no hydrogen 2.939 N/A CYS 180.A N ILE 176.A O no hydrogen 3.166 N/A CYS 180.A N GLY 177.A O no hydrogen 3.206 N/A CYS 180.A SG ILE 176.A O no hydrogen 3.778 N/A ALA 181.A N GLY 177.A O no hydrogen 3.415 N/A SER 182.A OG ASN 179.A O no hydrogen 2.710 N/A LEU 183.A N CYS 180.A O no hydrogen 2.719 N/A ILE 184.A N ALA 181.A O no hydrogen 3.248 N/A LYS 185.A N ASP 188.A OD1 no hydrogen 2.749 N/A GLY 187.A N LYS 209.A O no hydrogen 3.263 N/A THR 189.A N ARG 283.A O no hydrogen 2.985 N/A LEU 190.A N GLY 212.A O no hydrogen 3.000 N/A GLN 191.A N VAL 285.A O no hydrogen 2.972 N/A GLN 191.A NE2 ASN 288.A OD1 no hydrogen 3.651 N/A ASP 199.A N GLY 195.A O no hydrogen 3.041 N/A ALA 200.A N GLY 196.A O no hydrogen 2.683 N/A VAL 201.A N ILE 197.A O no hydrogen 2.724 N/A LEU 202.A N PRO 198.A O no hydrogen 2.994 N/A ARG 203.A N ASP 199.A O no hydrogen 3.135 N/A ARG 203.A NH1 GLU 206.A OE1 no hydrogen 2.984 N/A ALA 204.A N ALA 200.A O no hydrogen 2.852 N/A LEU 205.A N LEU 202.A O no hydrogen 3.067 N/A GLU 206.A N ARG 203.A O no hydrogen 3.384 N/A HIS 208.A N LEU 205.A O no hydrogen 2.898 N/A LEU 211.A N ILE 230.A O no hydrogen 3.027 N/A GLY 212.A N ASP 188.A O no hydrogen 3.116 N/A HIS 214.A N LEU 190.A O no hydrogen 3.103 N/A HIS 214.A NE2 ILE 272.A O no hydrogen 3.277 N/A THR 215.A N VAL 244.A O no hydrogen 3.170 N/A THR 215.A OG1 MET 217.A O no hydrogen 3.059 N/A PHE 218.A N LEU 247.A O no hydrogen 3.228 N/A VAL 222.A N THR 219.A O no hydrogen 3.137 N/A ARG 224.A N ASP 220.A O no hydrogen 3.339 N/A ARG 224.A NH2 ASP 199.A OD1 no hydrogen 3.325 N/A MET 225.A N GLY 221.A O no hydrogen 3.175 N/A ILE 226.A N VAL 222.A O no hydrogen 2.893 N/A ARG 227.A N MET 223.A O no hydrogen 2.631 N/A LYS 228.A N ARG 224.A O no hydrogen 2.828 N/A GLY 229.A N ILE 226.A O no hydrogen 2.924 N/A ILE 231.A N MET 225.A O no hydrogen 3.173 N/A ASN 232.A N LEU 211.A O no hydrogen 2.832 N/A ASN 232.A ND2 ASP 210.A OD1 no hydrogen 3.454 N/A GLY 233.A N LEU 211.A O no hydrogen 2.672 N/A LYS 236.A NZ ILE 213.A O no hydrogen 2.478 N/A THR 237.A OG1 LYS 280.A O no hydrogen 2.804 N/A THR 237.A OG1 ASP 282.A OD2 no hydrogen 3.552 N/A HIS 239.A NE2 TYR 271.A OH no hydrogen 2.655 N/A GLU 241.A N GLY 233.A O no hydrogen 2.673 N/A LYS 242.A N HIS 239.A O no hydrogen 3.254 N/A LYS 242.A NZ PRO 262.A O no hydrogen 3.077 N/A VAL 243.A N VAL 263.A O no hydrogen 2.846 N/A VAL 244.A N ILE 213.A O no hydrogen 3.376 N/A THR 245.A OG1 LEU 247.A O no hydrogen 3.157 N/A SER 246.A OG TYR 267.A O no hydrogen 3.035 N/A ILE 248.A N VAL 116.A O no hydrogen 3.116 N/A PHE 249.A N PHE 218.A O no hydrogen 3.372 N/A GLY 250.A N TYR 255.A OH no hydrogen 2.768 N/A SER 251.A N ASP 220.A OD2 no hydrogen 3.013 N/A SER 251.A OG ASP 220.A OD1 no hydrogen 2.633 N/A LYS 252.A N GLU 165.A OE2 no hydrogen 3.295 N/A LYS 252.A NZ ASP 256.A OD1 no hydrogen 3.203 N/A LYS 252.A NZ ASP 256.A OD2 no hydrogen 3.501 N/A LEU 254.A N SER 251.A OG no hydrogen 3.265 N/A TYR 255.A N SER 251.A O no hydrogen 3.067 N/A TYR 255.A OH ALA 164.A O no hydrogen 2.819 N/A ASP 256.A N LYS 252.A O no hydrogen 2.788 N/A PHE 257.A N GLU 253.A O no hydrogen 2.850 N/A VAL 258.A N LEU 254.A O no hydrogen 2.828 N/A ASN 259.A N TYR 255.A O no hydrogen 3.072 N/A ASN 260.A N PHE 141.A O no hydrogen 2.640 N/A ASN 261.A ND2 PHE 257.A O no hydrogen 3.464 N/A VAL 263.A N ASN 261.A OD1 no hydrogen 2.765 N/A ILE 264.A N ASN 261.A O no hydrogen 3.131 N/A GLU 265.A N VAL 243.A O no hydrogen 3.303 N/A CYS 266.A N GLY 143.A O no hydrogen 2.792 N/A CYS 266.A SG GLY 115.A O no hydrogen 3.753 N/A TYR 267.A N THR 245.A O no hydrogen 2.667 N/A TYR 267.A OH GLU 265.A OE1 no hydrogen 3.289 N/A VAL 269.A N ASP 119.A O no hydrogen 3.147 N/A TYR 271.A OH HIS 239.A NE2 no hydrogen 2.655 N/A ILE 272.A N PRO 268.A O no hydrogen 2.974 N/A ASN 273.A N VAL 269.A O no hydrogen 3.155 N/A ASN 273.A ND2 GLU 216.A OE2 no hydrogen 2.855 N/A ASN 273.A ND2 ASP 303.A OD1 no hydrogen 2.970 N/A ASN 274.A N TYR 271.A O no hydrogen 2.872 N/A ASP 276.A N ASN 274.A OD1 no hydrogen 2.958 N/A ILE 278.A N ASN 274.A O no hydrogen 2.809 N/A GLY 279.A N PRO 275.A O no hydrogen 2.644 N/A LYS 280.A N VAL 277.A O no hydrogen 2.934 N/A ASN 281.A N ILE 278.A O no hydrogen 2.989 N/A ASP 282.A N THR 237.A OG1 no hydrogen 3.417 N/A ARG 283.A N LYS 312.A O no hydrogen 2.943 N/A MET 284.A N SER 311.A OG no hydrogen 2.824 N/A VAL 285.A N THR 189.A O no hydrogen 3.338 N/A SER 286.A N ILE 315.A O no hydrogen 3.459 N/A SER 286.A OG PHE 304.A O no hydrogen 3.246 N/A ILE 287.A N GLN 191.A O no hydrogen 2.505 N/A ASN 288.A N ILE 317.A O no hydrogen 3.071 N/A SER 289.A OG ALA 319.A O no hydrogen 2.896 N/A MET 293.A N ARG 331.A O no hydrogen 2.707 N/A LEU 295.A N VAL 333.A O no hydrogen 2.759 N/A MET 296.A N ASP 294.A OD1 no hydrogen 3.041 N/A GLY 297.A N ASP 294.A O no hydrogen 3.262 N/A GLY 297.A N ASP 294.A OD1 no hydrogen 2.859 N/A GLN 298.A N ASP 294.A OD1 no hydrogen 2.989 N/A PHE 304.A N GLY 300.A O no hydrogen 3.169 N/A ARG 306.A N VAL 302.A O no hydrogen 3.170 N/A GLY 307.A N ASP 303.A O no hydrogen 2.961 N/A ALA 308.A N PHE 304.A O no hydrogen 2.717 N/A LYS 309.A N ARG 306.A O no hydrogen 3.075 N/A LYS 309.A NZ ASP 344.A OD1 no hydrogen 3.119 N/A ARG 310.A N GLY 307.A O no hydrogen 3.217 N/A ARG 310.A NH1 ARG 306.A O no hydrogen 3.291 N/A GLY 314.A N SER 311.A O no hydrogen 3.149 N/A ILE 315.A N MET 284.A O no hydrogen 3.194 N/A SER 316.A N ASP 344.A OD2 no hydrogen 3.073 N/A ILE 317.A N SER 286.A O no hydrogen 3.003 N/A MET 318.A N TYR 345.A O no hydrogen 3.112 N/A ALA 319.A N ASN 288.A O no hydrogen 2.954 N/A PHE 320.A N VAL 347.A O no hydrogen 3.161 N/A SER 322.A N GLU 349.A OE2 no hydrogen 3.084 N/A SER 322.A OG GLU 349.A OE1 no hydrogen 2.507 N/A ALA 324.A N GLU 329.A O no hydrogen 2.548 N/A GLY 327.A N ALA 324.A O no hydrogen 3.127 N/A THR 328.A N ALA 324.A O no hydrogen 3.115 N/A THR 328.A N LYS 325.A O no hydrogen 3.387 N/A THR 328.A OG1 ALA 324.A O no hydrogen 3.475 N/A THR 328.A OG1 LYS 325.A O no hydrogen 2.197 N/A GLU 329.A N ALA 324.A O no hydrogen 3.071 N/A SER 330.A OG ILE 332.A O no hydrogen 2.759 N/A ARG 331.A N SER 322.A O no hydrogen 3.231 N/A ARG 331.A NE THR 323.A O no hydrogen 2.798 N/A ARG 331.A NH1 THR 323.A O no hydrogen 3.382 N/A ARG 331.A NH2 LEU 291.A O no hydrogen 3.219 N/A ILE 332.A N SER 330.A OG no hydrogen 3.329 N/A VAL 333.A N MET 293.A O no hydrogen 2.722 N/A LYS 337.A N GLU 292.A OE1 no hydrogen 3.249 N/A THR 338.A OG1 THR 338.A O no hydrogen 2.273 N/A GLU 342.A N ARG 340.A O no hydrogen 2.504 N/A ASP 344.A N SER 316.A O no hydrogen 3.245 N/A TYR 345.A N SER 316.A O no hydrogen 3.169 N/A VAL 346.A N ALA 353.A O no hydrogen 3.091 N/A VAL 347.A N MET 318.A O no hydrogen 3.081 N/A THR 348.A N GLY 351.A O no hydrogen 2.957 N/A THR 348.A OG1 PHE 320.A O no hydrogen 3.085 N/A GLU 349.A N GLU 349.A OE2 no hydrogen 2.721 N/A TYR 350.A OH HIS 372.A ND1 no hydrogen 3.236 N/A GLY 351.A N THR 348.A O no hydrogen 2.671 N/A ALA 353.A N VAL 346.A O no hydrogen 2.818 N/A LEU 355.A N ASP 344.A O no hydrogen 2.792 N/A ARG 356.A N ASP 344.A O no hydrogen 3.443 N/A THR 359.A N GLN 362.A OE1 no hydrogen 2.898 N/A ARG 361.A NE THR 359.A OG1 no hydrogen 3.014 N/A ARG 363.A N THR 359.A O no hydrogen 3.142 N/A ARG 363.A NH1 ALA 358.A O no hydrogen 3.526 N/A ALA 364.A N LEU 360.A O no hydrogen 3.364 N/A GLU 365.A N ARG 361.A O no hydrogen 3.376 N/A ALA 366.A N GLN 362.A O no hydrogen 2.627 N/A LEU 367.A N ARG 363.A O no hydrogen 3.223 N/A THR 368.A N ALA 364.A O no hydrogen 3.198 N/A THR 368.A OG1 ALA 364.A O no hydrogen 3.061 N/A ALA 369.A N GLU 365.A O no hydrogen 3.100 N/A ILE 370.A N LEU 367.A O no hydrogen 2.571 N/A ALA 371.A N LEU 367.A O no hydrogen 3.130 N/A ALA 371.A N THR 368.A O no hydrogen 3.342 N/A HIS 372.A NE2 ASP 374.A OD1 no hydrogen 3.006 N/A ARG 376.A N HIS 372.A O no hydrogen 3.122 N/A ARG 376.A NE ALA 371.A O no hydrogen 2.936 N/A ARG 376.A NH1 ALA 371.A O no hydrogen 3.207 N/A LEU 379.A N PHE 375.A O no hydrogen 2.782 N/A GLU 380.A N ARG 376.A O no hydrogen 2.736 N/A GLU 381.A N PRO 377.A O no hydrogen 2.941 N/A GLU 382.A N ALA 378.A O no hydrogen 3.189 N/A ILE 383.A N LEU 379.A O no hydrogen 3.408 N/A ARG 384.A N GLU 380.A O no hydrogen 3.295 N/A ARG 385.A N GLU 381.A O no hydrogen 3.319 N/A ARG 385.A NH2 ARG 385.A O no hydrogen 3.072 N/A ARG 386.A N ARG 384.A O no hydrogen 2.867 N/A PHE 387.A N ARG 384.A O no hydrogen 2.993 N/A