Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8x51_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 76.A O no hydrogen 3.370 N/A MET 1.A N LEU 77.A O no hydrogen 3.370 N/A SER 4.A N THR 74.A O no hydrogen 3.009 N/A SER 4.A OG ASN 5.A OD1 no hydrogen 3.115 N/A SER 4.A OG THR 74.A O no hydrogen 2.514 N/A ASN 5.A N THR 74.A O no hydrogen 3.084 N/A ILE 6.A N ILE 19.A O no hydrogen 2.939 N/A THR 7.A N ILE 72.A O no hydrogen 2.853 N/A THR 7.A OG1 ASN 18.A OD1 no hydrogen 3.082 N/A ILE 8.A N VAL 17.A O no hydrogen 2.948 N/A LYS 9.A N GLU 70.A O no hydrogen 2.999 N/A ASN 10.A ND2 SER 66.A O no hydrogen 2.934 N/A ARG 12.A NH1 ASP 59.A OD1 no hydrogen 3.374 N/A ARG 12.A NH2 ASN 37.A OD1 no hydrogen 2.882 N/A PHE 14.A N PHE 11.A O no hydrogen 3.482 N/A VAL 17.A N ILE 8.A O no hydrogen 2.977 N/A ILE 19.A N ILE 6.A O no hydrogen 2.914 N/A LEU 21.A N SER 4.A O no hydrogen 2.701 N/A ASP 22.A N ASN 25.A OD1 no hydrogen 3.144 N/A ASN 25.A N PHE 191.A O no hydrogen 2.917 N/A ASN 25.A ND2 ASP 22.A O no hydrogen 2.665 N/A VAL 26.A N ARG 208.A O no hydrogen 3.158 N/A ILE 27.A N LEU 193.A O no hydrogen 2.817 N/A PHE 28.A N ILE 210.A O no hydrogen 3.037 N/A ASP 32.A N ASP 32.A OD1 no hydrogen 2.585 N/A LYS 35.A NZ HIS 196.A NE2 no hydrogen 3.120 N/A THR 36.A N ASP 32.A O no hydrogen 3.014 N/A THR 36.A OG1 ASP 32.A O no hydrogen 3.108 N/A THR 36.A OG1 ILE 33.A O no hydrogen 2.739 N/A THR 36.A OG1 ASN 37.A OD1 no hydrogen 3.569 N/A ASN 37.A N ILE 33.A O no hydrogen 2.906 N/A PHE 38.A N GLY 34.A O no hydrogen 2.909 N/A LEU 39.A N LYS 35.A O no hydrogen 3.110 N/A TYR 40.A N THR 36.A O no hydrogen 2.853 N/A ALA 41.A N ASN 37.A O no hydrogen 2.915 N/A LEU 42.A N PHE 38.A O no hydrogen 3.120 N/A ARG 43.A N LEU 39.A O no hydrogen 2.915 N/A PHE 44.A N TYR 40.A O no hydrogen 2.883 N/A LEU 45.A N ALA 41.A O no hydrogen 3.019 N/A LEU 46.A N LEU 42.A O no hydrogen 2.979 N/A ASP 47.A N ARG 43.A O no hydrogen 3.088 N/A GLU 49.A N ASP 47.A OD1 no hydrogen 3.035 N/A ARG 51.A N ASP 47.A O no hydrogen 3.280 N/A ARG 51.A NH2 ASP 146.A OD1 no hydrogen 3.216 N/A LYS 52.A N LYS 48.A O no hydrogen 2.920 N/A GLY 54.A N ARG 51.A O no hydrogen 3.282 N/A ASN 56.A N ASP 59.A OD2 no hydrogen 3.047 N/A LYS 57.A N ASN 56.A OD1 no hydrogen 2.796 N/A SER 66.A N THR 65.A OG1 no hydrogen 2.541 N/A SER 66.A OG THR 65.A O no hydrogen 2.738 N/A LYS 67.A NZ ASP 114.A OD2 no hydrogen 3.392 N/A LYS 68.A N SER 66.A O no hydrogen 2.931 N/A ILE 69.A N SER 111.A O no hydrogen 2.943 N/A ILE 71.A N LEU 109.A O no hydrogen 2.962 N/A ILE 72.A N THR 7.A O no hydrogen 2.895 N/A LEU 73.A N ILE 107.A O no hydrogen 2.844 N/A THR 74.A N ASN 5.A O no hydrogen 2.929 N/A LEU 75.A N PHE 105.A O no hydrogen 3.294 N/A SER 78.A OG LEU 77.A O no hydrogen 2.788 N/A LYS 82.A NZ ASP 83.A O no hydrogen 2.763 N/A ASP 85.A N ASP 83.A OD1 no hydrogen 2.975 N/A THR 86.A N ASP 83.A OD1 no hydrogen 3.494 N/A LEU 89.A N ASP 85.A O no hydrogen 2.997 N/A ILE 90.A N THR 86.A O no hydrogen 2.906 N/A SER 91.A N LYS 87.A O no hydrogen 2.915 N/A SER 91.A OG LYS 88.A O no hydrogen 2.818 N/A VAL 92.A N LYS 88.A O no hydrogen 2.993 N/A LYS 94.A N ILE 90.A O no hydrogen 3.267 N/A LYS 94.A NZ VAL 92.A O no hydrogen 3.188 N/A ARG 97.A NH2 ALA 102.A O no hydrogen 3.171 N/A THR 98.A OG1 SER 128.A OG no hydrogen 3.250 N/A SER 99.A OG ASN 101.A OD1 no hydrogen 3.133 N/A TYR 106.A N GLY 127.A O no hydrogen 2.883 N/A ILE 107.A N LEU 73.A O no hydrogen 2.960 N/A ALA 108.A N LYS 125.A O no hydrogen 2.910 N/A LEU 109.A N ILE 71.A O no hydrogen 2.857 N/A GLU 110.A N ILE 123.A O no hydrogen 2.893 N/A SER 111.A N ILE 69.A O no hydrogen 2.903 N/A SER 111.A OG TYR 60.A OH no hydrogen 2.618 N/A LYS 116.A NZ GLU 117.A OE2 no hydrogen 2.738 N/A ILE 123.A N GLU 110.A O no hydrogen 2.919 N/A LYS 125.A N ALA 108.A O no hydrogen 2.871 N/A GLY 127.A N TYR 106.A O no hydrogen 2.958 N/A ILE 134.A N TRP 126.A O no hydrogen 2.999 N/A ILE 136.A N LEU 124.A O no hydrogen 3.318 N/A ASN 143.A N ASP 146.A OD2 no hydrogen 3.313 N/A VAL 148.A N LEU 145.A O no hydrogen 3.152 N/A PHE 149.A N LEU 145.A O no hydrogen 3.392 N/A LYS 150.A N ILE 158.A O no hydrogen 2.882 N/A ILE 152.A N ILE 160.A O no hydrogen 2.939 N/A TYR 153.A OH GLU 164.A OE1 no hydrogen 3.289 N/A ILE 154.A N LEU 162.A O no hydrogen 2.893 N/A LYS 157.A NZ ASP 146.A O no hydrogen 2.923 N/A ILE 158.A N VAL 148.A O no hydrogen 2.891 N/A ILE 160.A N LYS 150.A O no hydrogen 2.856 N/A TYR 161.A N TYR 190.A O no hydrogen 3.192 N/A LEU 162.A N ILE 152.A O no hydrogen 2.906 N/A ILE 163.A N PHE 192.A O no hydrogen 3.141 N/A GLU 164.A N ILE 154.A O no hydrogen 2.912 N/A GLU 165.A N SER 194.A O no hydrogen 2.896 N/A GLN 175.A N HIS 171.A O no hydrogen 3.089 N/A GLN 175.A NE2 LEU 170.A O no hydrogen 3.549 N/A ILE 176.A N ARG 172.A O no hydrogen 2.963 N/A ALA 177.A N SER 173.A O no hydrogen 2.894 N/A LEU 178.A N MET 174.A O no hydrogen 2.872 N/A SER 179.A N GLN 175.A O no hydrogen 2.890 N/A SER 179.A OG LEU 200.A O no hydrogen 3.119 N/A LYS 180.A N ILE 176.A O no hydrogen 2.970 N/A GLN 181.A N ALA 177.A O no hydrogen 2.980 N/A LEU 182.A N LEU 178.A O no hydrogen 2.910 N/A PHE 183.A N LYS 180.A O no hydrogen 3.233 N/A GLU 184.A N LYS 180.A O no hydrogen 2.970 N/A TYR 190.A OH ASP 85.A OD2 no hydrogen 3.337 N/A PHE 192.A N TYR 161.A O no hydrogen 3.129 N/A LEU 193.A N ASN 25.A O no hydrogen 2.919 N/A SER 194.A N ILE 163.A O no hydrogen 2.915 N/A THR 195.A OG1 GLU 167.A OE1 no hydrogen 2.960 N/A HIS 196.A N GLU 167.A OE2 no hydrogen 3.066 N/A SER 197.A N THR 195.A OG1 no hydrogen 3.137 N/A SER 197.A OG GLU 167.A OE1 no hydrogen 3.506 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.982 N/A LEU 201.A N PRO 198.A O no hydrogen 3.174 N/A THR 207.A N TYR 225.A O no hydrogen 2.988 N/A THR 207.A OG1 ASP 205.A O no hydrogen 3.084 N/A ARG 208.A N ASP 22.A OD1 no hydrogen 3.273 N/A LEU 209.A N HIS 223.A O no hydrogen 2.801 N/A ILE 210.A N VAL 26.A O no hydrogen 2.936 N/A ARG 211.A N SER 221.A O no hydrogen 2.879 N/A VAL 212.A N PHE 28.A O no hydrogen 3.106 N/A VAL 218.A N THR 215.A O no hydrogen 3.349 N/A SER 221.A N ARG 211.A O no hydrogen 2.919 N/A HIS 223.A N LEU 209.A O no hydrogen 2.963 N/A TYR 225.A N THR 207.A O no hydrogen 2.847 N/A ASN 226.A ND2 ASN 206.A OD1 no hydrogen 3.075 N/A VAL 227.A N ASP 205.A OD1 no hydrogen 3.345 N/A SER 232.A OG LYS 229.A O no hydrogen 3.186 N/A ALA 234.A N LEU 231.A O no hydrogen 3.134 N/A ALA 237.A N ALA 234.A O no hydrogen 3.472 N/A GLU 238.A N GLY 267.A O no hydrogen 3.254 N/A ARG 239.A N GLY 267.A O no hydrogen 3.160 N/A ARG 239.A NE LEU 437.A O no hydrogen 2.510 N/A ARG 239.A NH2 LEU 437.A O no hydrogen 3.365 N/A VAL 240.A N THR 291.A O no hydrogen 2.895 N/A LEU 241.A N PHE 269.A O no hydrogen 2.924 N/A LEU 242.A N ILE 293.A O no hydrogen 2.521 N/A ILE 243.A N LEU 271.A O no hydrogen 3.007 N/A SER 247.A OG LYS 406.A O no hydrogen 3.387 N/A ILE 250.A N PRO 246.A O no hydrogen 2.983 N/A PHE 252.A N GLU 248.A O no hydrogen 2.991 N/A GLU 253.A N LYS 249.A O no hydrogen 2.855 N/A LYS 254.A N ILE 250.A O no hydrogen 3.017 N/A VAL 255.A N LEU 251.A O no hydrogen 2.952 N/A LEU 256.A N PHE 252.A O no hydrogen 2.889 N/A GLU 258.A N VAL 255.A O no hydrogen 3.148 N/A VAL 259.A N VAL 255.A O no hydrogen 2.995 N/A ASN 266.A N GLU 262.A O no hydrogen 3.407 N/A GLY 268.A N TYR 263.A O no hydrogen 3.010 N/A LEU 271.A N LEU 241.A O no hydrogen 2.948 N/A VAL 273.A N ILE 243.A O no hydrogen 3.216 N/A GLY 274.A N GLU 244.A O no hydrogen 3.198 N/A TYR 281.A N PHE 278.A O no hydrogen 3.113 N/A VAL 282.A N PHE 278.A O no hydrogen 2.947 N/A CYS 283.A SG ASN 279.A O no hydrogen 3.355 N/A CYS 283.A SG HIS 280.A O no hydrogen 3.700 N/A THR 284.A OG1 HIS 280.A O no hydrogen 3.556 N/A LEU 285.A N TYR 281.A O no hydrogen 2.987 N/A ASN 286.A N VAL 282.A O no hydrogen 2.855 N/A ILE 290.A N LEU 285.A O no hydrogen 3.085 N/A THR 291.A N GLU 238.A O no hydrogen 2.635 N/A ILE 293.A N VAL 240.A O no hydrogen 2.657 N/A ILE 294.A N ARG 369.A O no hydrogen 2.814 N/A LYS 295.A N LEU 242.A O no hydrogen 3.081 N/A THR 296.A N TYR 371.A O no hydrogen 3.005 N/A THR 296.A OG1 GLU 244.A OE2 no hydrogen 3.042 N/A ASP 297.A N GLU 244.A OE2 no hydrogen 3.320 N/A LYS 301.A N GLU 311.A O no hydrogen 3.040 N/A LYS 303.A N VAL 309.A O no hydrogen 3.290 N/A LYS 303.A NZ GLU 329.A OE2 no hydrogen 3.059 N/A TYR 310.A N ILE 330.A O no hydrogen 3.094 N/A GLU 311.A N LYS 301.A O no hydrogen 2.825 N/A LEU 313.A N ASP 299.A O no hydrogen 3.219 N/A GLY 314.A N ASP 299.A O no hydrogen 3.214 N/A ASN 316.A N LEU 312.A O no hydrogen 3.203 N/A ARG 317.A N LEU 313.A O no hydrogen 3.000 N/A ARG 317.A NH1 THR 296.A OG1 no hydrogen 2.764 N/A ARG 317.A NH1 ASP 297.A O no hydrogen 2.705 N/A ARG 317.A NH1 ASP 299.A OD2 no hydrogen 3.187 N/A ARG 317.A NH2 ASP 299.A OD2 no hydrogen 2.446 N/A CYS 318.A N LEU 315.A O no hydrogen 3.236 N/A CYS 318.A SG GLY 314.A O no hydrogen 3.303 N/A LEU 319.A N LEU 315.A O no hydrogen 3.008 N/A ASN 320.A N ASN 316.A O no hydrogen 2.920 N/A ARG 324.A N LEU 319.A O no hydrogen 2.843 N/A LEU 327.A N ASN 316.A OD1 no hydrogen 3.167 N/A ASP 328.A N ASP 328.A OD1 no hydrogen 2.658 N/A ILE 330.A N TYR 310.A O no hydrogen 3.094 N/A ILE 332.A N GLY 308.A O no hydrogen 2.878 N/A LYS 342.A NZ GLU 345.A OE1 no hydrogen 3.454 N/A LYS 344.A NZ HIS 400.A ND1 no hydrogen 3.162 N/A GLU 345.A N LYS 341.A O no hydrogen 3.109 N/A ARG 346.A N LYS 342.A O no hydrogen 2.977 N/A LEU 347.A N LYS 343.A O no hydrogen 3.008 N/A ASN 348.A N LYS 344.A O no hydrogen 2.878 N/A ARG 350.A N ARG 346.A O no hydrogen 3.071 N/A ARG 350.A NH2 THR 331.A O no hydrogen 3.415 N/A LYS 351.A N LEU 347.A O no hydrogen 3.450 N/A LYS 351.A NZ ASN 298.A O no hydrogen 3.052 N/A LYS 352.A N ASN 348.A O no hydrogen 3.032 N/A LYS 352.A NZ GLU 349.A OE1 no hydrogen 3.554 N/A LYS 352.A NZ GLU 349.A OE2 no hydrogen 2.913 N/A ILE 354.A N ARG 350.A O no hydrogen 2.991 N/A PHE 355.A N LYS 351.A O no hydrogen 2.916 N/A LYS 356.A N LYS 352.A O no hydrogen 2.975 N/A GLN 357.A N ILE 354.A O no hydrogen 2.992 N/A TYR 358.A N ILE 354.A O no hydrogen 3.060 N/A GLU 361.A N TYR 358.A O no hydrogen 3.128 N/A VAL 362.A N TYR 358.A O no hydrogen 2.952 N/A GLY 363.A N LYS 359.A O no hydrogen 2.947 N/A GLU 364.A N ASN 360.A O no hydrogen 3.390 N/A PHE 365.A N GLU 361.A O no hydrogen 2.958 N/A LEU 366.A N VAL 362.A O no hydrogen 2.900 N/A GLY 367.A N GLY 363.A O no hydrogen 2.895 N/A GLU 368.A N PHE 365.A O no hydrogen 3.215 N/A ILE 370.A N PHE 365.A O no hydrogen 3.386 N/A TYR 371.A N ILE 294.A O no hydrogen 2.801 N/A SER 373.A N THR 296.A O no hydrogen 3.028 N/A SER 373.A OG ASP 297.A OD1 no hydrogen 2.989 N/A SER 373.A OG ASP 380.A OD2 no hydrogen 3.564 N/A GLU 378.A N GLU 378.A OE1 no hydrogen 2.887 N/A LEU 381.A N LEU 377.A O no hydrogen 2.896 N/A ILE 385.A N LEU 381.A O no hydrogen 3.254 N/A GLU 387.A N GLU 387.A OE1 no hydrogen 2.817 N/A SER 388.A N ILE 385.A O no hydrogen 2.905 N/A SER 388.A OG ASP 421.A OD2 no hydrogen 3.269 N/A GLU 396.A N ASN 395.A OD1 no hydrogen 2.841 N/A TYR 401.A N ASP 397.A O no hydrogen 3.336 N/A LEU 402.A N PRO 398.A O no hydrogen 2.900 N/A SER 405.A OG ASN 409.A OD1 no hydrogen 2.674 N/A VAL 411.A N LEU 407.A O no hydrogen 3.004 N/A VAL 414.A N MET 410.A O no hydrogen 2.866 N/A ASN 415.A N VAL 411.A O no hydrogen 2.923 N/A ASN 416.A N GLU 412.A O no hydrogen 3.369 N/A CYS 422.A SG LYS 254.A O no hydrogen 3.845 N/A CYS 422.A SG SER 418.A O no hydrogen 3.769 N/A VAL 425.A N ASP 421.A O no hydrogen 2.966 N/A PHE 426.A N CYS 422.A O no hydrogen 2.887 N/A GLU 427.A N PHE 423.A O no hydrogen 2.938 N/A HIS 428.A N VAL 425.A O no hydrogen 3.381 N/A GLU 429.A N GLU 429.A OE1 no hydrogen 2.838 N/A LEU 437.A N LEU 434.A O no hydrogen 2.973 N/A VAL 438.A N LEU 434.A O no hydrogen 3.271 N/A