Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ddg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N ALA 2.A O no hydrogen 2.929 N/A ARG 7.A N MET 3.A O no hydrogen 2.893 N/A ARG 7.A NE GLU 11.A OE2 no hydrogen 3.065 N/A ARG 7.A NH1 GLU 11.A OE2 no hydrogen 3.518 N/A ARG 7.A NH1 PRO 97.A O no hydrogen 2.745 N/A ILE 8.A N ALA 4.A O no hydrogen 2.929 N/A HIS 9.A N LEU 5.A O no hydrogen 2.951 N/A LYS 10.A N LYS 6.A O no hydrogen 2.956 N/A GLU 11.A N ARG 7.A O no hydrogen 2.897 N/A LEU 12.A N ILE 8.A O no hydrogen 2.946 N/A ASN 13.A N HIS 9.A O no hydrogen 2.939 N/A ASP 14.A N LYS 10.A O no hydrogen 2.941 N/A LEU 15.A N GLU 11.A O no hydrogen 2.910 N/A ALA 16.A N LEU 12.A O no hydrogen 2.924 N/A ARG 17.A N ASN 13.A O no hydrogen 2.922 N/A ARG 17.A N ASP 14.A O no hydrogen 3.158 N/A ASP 18.A N ASP 14.A O no hydrogen 3.473 N/A SER 24.A N THR 38.A O no hydrogen 3.231 N/A GLY 26.A N GLN 36.A O no hydrogen 3.166 N/A VAL 28.A N HIS 34.A O no hydrogen 2.802 N/A ASP 31.A N VAL 28.A O no hydrogen 2.962 N/A PHE 33.A N ASP 31.A OD1 no hydrogen 3.248 N/A TRP 35.A N ILE 56.A O no hydrogen 2.875 N/A TRP 35.A NE1 MET 32.A O no hydrogen 2.734 N/A GLN 36.A N GLY 26.A O no hydrogen 2.821 N/A ALA 37.A N LEU 54.A O no hydrogen 2.890 N/A THR 38.A N SER 24.A O no hydrogen 2.807 N/A ILE 39.A N PHE 52.A O no hydrogen 2.895 N/A MET 40.A N GLN 22.A O no hydrogen 2.998 N/A GLY 41.A N GLY 50.A O no hydrogen 2.876 N/A ASP 44.A N GLN 48.A OE1 no hydrogen 3.277 N/A SER 45.A N PRO 42.A O no hydrogen 3.243 N/A SER 45.A OG PRO 42.A O no hydrogen 3.180 N/A TYR 47.A OH TYR 76.A O no hydrogen 2.528 N/A TYR 47.A OH TYR 136.A OH no hydrogen 2.428 N/A GLY 50.A N TYR 47.A O no hydrogen 3.059 N/A VAL 51.A N ALA 148.A O no hydrogen 3.180 N/A PHE 52.A N ILE 39.A O no hydrogen 2.892 N/A PHE 53.A N THR 73.A OG1 no hydrogen 3.058 N/A LEU 54.A N ALA 37.A O no hydrogen 2.880 N/A THR 55.A N ALA 70.A O no hydrogen 2.873 N/A THR 55.A OG1 ALA 70.A O no hydrogen 3.476 N/A ILE 56.A N TRP 35.A O no hydrogen 2.887 N/A HIS 57.A N LYS 68.A O no hydrogen 2.875 N/A PHE 58.A N PHE 33.A O no hydrogen 2.917 N/A ASP 61.A N ASP 61.A OD1 no hydrogen 2.470 N/A TYR 62.A OH GLU 11.A OE2 no hydrogen 2.603 N/A LYS 65.A NZ ASP 61.A OD2 no hydrogen 3.194 N/A LYS 68.A N HIS 57.A O no hydrogen 2.923 N/A ALA 70.A N THR 55.A O no hydrogen 2.973 N/A PHE 71.A N GLY 84.A O no hydrogen 2.924 N/A THR 72.A N PHE 53.A O no hydrogen 2.929 N/A THR 72.A OG1 PHE 53.A O no hydrogen 3.092 N/A HIS 77.A NE2 LEU 111.A O no hydrogen 2.935 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.816 N/A ASN 79.A ND2 ASN 116.A O no hydrogen 3.192 N/A ILE 80.A N HIS 77.A O no hydrogen 3.361 N/A GLY 84.A N ASN 81.A O no hydrogen 2.674 N/A SER 85.A N ASN 81.A OD1 no hydrogen 2.606 N/A SER 87.A N ASN 79.A O no hydrogen 3.052 N/A ARG 92.A N ASP 89.A O no hydrogen 3.182 N/A GLN 94.A N ASP 89.A O no hydrogen 2.955 N/A TRP 95.A NE1 PRO 63.A O no hydrogen 2.782 N/A ALA 98.A N SER 96.A OG no hydrogen 2.999 N/A LEU 99.A N SER 96.A O no hydrogen 3.240 N/A ILE 101.A N GLU 11.A OE1 no hydrogen 2.553 N/A LYS 103.A N THR 100.A OG1 no hydrogen 3.042 N/A VAL 104.A N THR 100.A O no hydrogen 3.250 N/A LEU 105.A N ILE 101.A O no hydrogen 2.922 N/A LEU 106.A N SER 102.A O no hydrogen 2.941 N/A SER 107.A N LYS 103.A O no hydrogen 2.905 N/A ILE 108.A N VAL 104.A O no hydrogen 2.943 N/A CYS 109.A N LEU 105.A O no hydrogen 2.895 N/A CYS 109.A SG LEU 105.A O no hydrogen 3.394 N/A SER 110.A N LEU 106.A O no hydrogen 2.920 N/A LEU 111.A N SER 107.A O no hydrogen 2.917 N/A LEU 112.A N ILE 108.A O no hydrogen 2.962 N/A CYS 113.A SG CYS 109.A O no hydrogen 3.835 N/A ASP 114.A N SER 110.A O no hydrogen 3.068 N/A ASN 116.A N ASN 79.A OD1 no hydrogen 2.838 N/A LEU 121.A N PRO 78.A O no hydrogen 2.940 N/A VAL 122.A N PRO 78.A O no hydrogen 2.866 N/A ALA 126.A N VAL 122.A O no hydrogen 3.024 N/A ARG 127.A N PRO 123.A O no hydrogen 2.919 N/A ARG 127.A NE GLU 124.A OE2 no hydrogen 3.441 N/A ARG 127.A NH2 GLU 124.A OE1 no hydrogen 3.435 N/A ILE 128.A N GLU 124.A O no hydrogen 2.911 N/A TYR 129.A N ILE 125.A O no hydrogen 2.892 N/A LYS 130.A N ALA 126.A O no hydrogen 2.897 N/A THR 131.A N ARG 127.A O no hydrogen 2.918 N/A THR 131.A OG1 ARG 127.A O no hydrogen 2.843 N/A THR 131.A OG1 ILE 128.A O no hydrogen 3.545 N/A ARG 133.A NE TYR 129.A O no hydrogen 3.428 N/A ASN 137.A N ARG 133.A O no hydrogen 2.885 N/A ARG 138.A N GLU 134.A O no hydrogen 2.925 N/A ILE 139.A N LYS 135.A O no hydrogen 2.897 N/A ALA 140.A N TYR 136.A O no hydrogen 2.885 N/A ARG 141.A N ASN 137.A O no hydrogen 2.912 N/A GLU 142.A N ARG 138.A O no hydrogen 2.941 N/A TRP 143.A N ILE 139.A O no hydrogen 2.868 N/A THR 144.A N ALA 140.A O no hydrogen 2.928 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.723 N/A GLN 145.A N ARG 141.A O no hydrogen 2.891 N/A LYS 146.A N GLU 142.A O no hydrogen 2.928 N/A TYR 147.A N TRP 143.A O no hydrogen 2.909 N/A ALA 148.A N THR 144.A O no hydrogen 3.049 N/A ALA 157.A N ALA 153.A O no hydrogen 3.036 N/A ILE 158.A N TYR 154.A O no hydrogen 2.958 N/A MET 159.A N ASP 155.A O no hydrogen 2.916 N/A ALA 160.A N GLU 156.A O no hydrogen 2.947 N/A GLN 161.A N ALA 157.A O no hydrogen 2.942 N/A GLN 162.A N ILE 158.A O no hydrogen 2.931 N/A ASP 163.A N MET 159.A O no hydrogen 2.947 N/A ARG 164.A N ALA 160.A O no hydrogen 2.928 N/A ILE 165.A N GLN 161.A O no hydrogen 2.956 N/A GLN 166.A N GLN 162.A O no hydrogen 2.970 N/A GLN 167.A N ASP 163.A O no hydrogen 2.936 N/A GLN 167.A N ARG 164.A O no hydrogen 3.171 N/A GLU 168.A N ARG 164.A O no hydrogen 2.992 N/A ILE 169.A N ILE 165.A O no hydrogen 2.945 N/A ALA 170.A N GLN 166.A O no hydrogen 2.919 N/A VAL 171.A N GLN 167.A O no hydrogen 2.935 N/A GLN 172.A N GLU 168.A O no hydrogen 2.953 N/A GLN 172.A N ILE 169.A O no hydrogen 3.080 N/A ASN 173.A N ILE 169.A O no hydrogen 2.997 N/A VAL 176.A N ASN 291.A OD1 no hydrogen 2.984 N/A SER 177.A N LYS 212.A O no hydrogen 2.995 N/A SER 177.A OG GLU 178.A O no hydrogen 3.265 N/A SER 177.A OG LYS 212.A O no hydrogen 3.243 N/A LEU 180.A N ILE 210.A O no hydrogen 2.885 N/A VAL 184.A N GLU 181.A O no hydrogen 3.284 N/A LEU 185.A N LEU 182.A O no hydrogen 2.928 N/A TYR 186.A N SER 183.A O no hydrogen 2.935 N/A LYS 187.A N VAL 184.A O no hydrogen 2.938 N/A GLU 188.A N LEU 185.A O no hydrogen 2.932 N/A ASP 193.A N ALA 190.A O no hydrogen 3.052 N/A TYR 196.A N ASP 193.A OD1 no hydrogen 3.503 N/A GLN 197.A NE2 TYR 186.A O no hydrogen 3.467 N/A GLN 198.A N ASN 194.A O no hydrogen 2.898 N/A LYS 199.A N ILE 195.A O no hydrogen 2.945 N/A LYS 199.A NZ GLY 370.A O no hydrogen 3.315 N/A LYS 199.A NZ THR 371.A O no hydrogen 2.630 N/A ILE 200.A N TYR 196.A O no hydrogen 2.882 N/A LYS 201.A N GLN 197.A O no hydrogen 2.955 N/A ASP 202.A N GLN 198.A O no hydrogen 2.928 N/A LEU 203.A N LYS 199.A O no hydrogen 2.914 N/A HIS 204.A N ILE 200.A O no hydrogen 2.864 N/A HIS 204.A ND1 HIS 204.A O no hydrogen 3.128 N/A LYS 205.A N LYS 201.A O no hydrogen 2.969 N/A LYS 206.A NZ THR 372.A O no hydrogen 2.633 N/A TYR 207.A N LEU 203.A O no hydrogen 3.034 N/A TYR 207.A OH GLU 362.A OE2 no hydrogen 3.213 N/A SER 208.A OG LYS 399.A OXT no hydrogen 3.182 N/A TYR 209.A N TYR 398.A O no hydrogen 2.929 N/A ILE 210.A N LEU 180.A O no hydrogen 2.587 N/A ARG 211.A N ILE 396.A O no hydrogen 2.882 N/A ARG 211.A NE TYR 398.A OH no hydrogen 2.494 N/A ARG 211.A NH2 SER 177.A O no hydrogen 3.320 N/A LYS 212.A N SER 177.A OG no hydrogen 2.811 N/A LYS 212.A NZ GLU 188.A OE2 no hydrogen 3.041 N/A THR 213.A N ASP 395.A OD1 no hydrogen 3.458 N/A THR 213.A OG1 TYR 394.A O no hydrogen 3.055 N/A ARG 214.A N LEU 175.A O no hydrogen 3.194 N/A ARG 214.A NH1 ASN 173.A O no hydrogen 2.843 N/A ASN 218.A N ASP 216.A OD1 no hydrogen 3.348 N/A ARG 222.A N ASN 218.A O no hydrogen 3.049 N/A ARG 222.A NH1 ASP 297.A OD1 no hydrogen 3.365 N/A ARG 222.A NH2 ASP 297.A OD1 no hydrogen 3.295 N/A ALA 223.A N SER 219.A O no hydrogen 2.925 N/A PHE 224.A N PHE 220.A O no hydrogen 2.877 N/A GLY 225.A N TYR 221.A O no hydrogen 2.932 N/A PHE 226.A N ARG 222.A O no hydrogen 2.971 N/A SER 227.A N ALA 223.A O no hydrogen 2.924 N/A SER 227.A OG ALA 223.A O no hydrogen 2.844 N/A SER 227.A OG PHE 224.A O no hydrogen 3.227 N/A HIS 228.A N PHE 224.A O no hydrogen 2.945 N/A LEU 229.A N GLY 225.A O no hydrogen 2.977 N/A GLU 230.A N PHE 226.A O no hydrogen 2.907 N/A ALA 231.A N SER 227.A O no hydrogen 2.920 N/A LEU 233.A N GLU 230.A O no hydrogen 3.284 N/A ASP 235.A N ASP 234.A OD1 no hydrogen 2.936 N/A LYS 237.A N ASP 235.A OD1 no hydrogen 3.218 N/A GLU 238.A N ASP 235.A OD1 no hydrogen 3.323 N/A ARG 241.A N LYS 237.A O no hydrogen 2.939 N/A ARG 241.A NH1 SER 356.A O no hydrogen 3.081 N/A PHE 242.A N GLU 238.A O no hydrogen 2.907 N/A LYS 243.A N LEU 239.A O no hydrogen 2.910 N/A LYS 243.A NZ GLU 278.A OE1 no hydrogen 3.138 N/A LYS 243.A NZ GLU 278.A OE2 no hydrogen 2.962 N/A ALA 244.A N GLN 240.A O no hydrogen 2.915 N/A VAL 245.A N ARG 241.A O no hydrogen 2.912 N/A SER 246.A N PHE 242.A O no hydrogen 2.928 N/A SER 246.A OG PHE 242.A O no hydrogen 2.949 N/A SER 246.A OG LYS 243.A O no hydrogen 2.802 N/A ALA 247.A N LYS 243.A O no hydrogen 2.923 N/A LYS 248.A N ALA 244.A O no hydrogen 2.938 N/A SER 249.A N VAL 245.A O no hydrogen 2.906 N/A SER 249.A OG SER 246.A O no hydrogen 2.326 N/A SER 249.A OG TYR 302.A OH no hydrogen 2.704 N/A ASP 252.A N LYS 248.A O no hydrogen 2.967 N/A LEU 253.A N SER 249.A O no hydrogen 2.890 N/A VAL 254.A N LYS 250.A O no hydrogen 2.866 N/A SER 255.A N GLU 251.A O no hydrogen 2.862 N/A SER 255.A OG GLU 251.A O no hydrogen 3.021 N/A SER 255.A OG ASP 252.A O no hydrogen 2.554 N/A GLN 256.A N LEU 253.A O no hydrogen 2.798 N/A GLN 256.A NE2 GLY 309.A O no hydrogen 2.775 N/A GLY 257.A N VAL 254.A O no hydrogen 3.226 N/A PHE 258.A N LEU 253.A O no hydrogen 3.339 N/A THR 262.A OG1 THR 259.A O no hydrogen 2.751 N/A HIS 267.A N ILE 263.A O no hydrogen 2.909 N/A HIS 267.A ND1 TYR 302.A OH no hydrogen 3.127 N/A ASN 268.A N GLU 264.A O no hydrogen 2.904 N/A THR 269.A N ASP 265.A O no hydrogen 2.929 N/A PHE 270.A N PHE 266.A O no hydrogen 2.939 N/A MET 271.A N HIS 267.A O no hydrogen 2.878 N/A ASP 272.A N ASN 268.A O no hydrogen 2.899 N/A LEU 273.A N THR 269.A O no hydrogen 2.931 N/A ILE 274.A N PHE 270.A O no hydrogen 2.938 N/A GLU 275.A N ASP 272.A O no hydrogen 2.965 N/A GLN 276.A N ASP 272.A O no hydrogen 2.929 N/A GLU 278.A N GLU 275.A O no hydrogen 3.150 N/A ASP 285.A N SER 282.A O no hydrogen 3.006 N/A LEU 287.A N VAL 283.A O no hydrogen 2.918 N/A ALA 288.A N ALA 284.A O no hydrogen 2.909 N/A SER 289.A N ASP 285.A O no hydrogen 2.945 N/A SER 289.A OG GLN 276.A OE1 no hydrogen 2.498 N/A SER 289.A OG ASP 285.A O no hydrogen 3.496 N/A PHE 290.A N LEU 286.A O no hydrogen 2.917 N/A ASN 291.A N LEU 287.A O no hydrogen 3.015 N/A ASN 291.A ND2 VAL 176.A O no hydrogen 3.131 N/A ASN 291.A ND2 LEU 287.A O no hydrogen 3.003 N/A ASP 292.A N SER 289.A O no hydrogen 3.243 N/A GLN 293.A NE2 ASP 297.A OD2 no hydrogen 2.979 N/A SER 294.A OG ASP 292.A OD1 no hydrogen 3.504 N/A THR 295.A N ASP 292.A OD1 no hydrogen 2.861 N/A THR 295.A OG1 ASP 292.A OD1 no hydrogen 2.999 N/A SER 296.A N ASP 292.A O no hydrogen 3.281 N/A ASP 297.A N GLN 293.A O no hydrogen 2.924 N/A TYR 298.A N SER 294.A O no hydrogen 2.891 N/A LEU 299.A N THR 295.A O no hydrogen 2.968 N/A VAL 300.A N SER 296.A O no hydrogen 2.918 N/A VAL 301.A N ASP 297.A O no hydrogen 2.905 N/A TYR 302.A N TYR 298.A O no hydrogen 2.976 N/A TYR 302.A OH SER 249.A OG no hydrogen 2.704 N/A LEU 303.A N LEU 299.A O no hydrogen 2.925 N/A ARG 304.A N VAL 300.A O no hydrogen 2.918 N/A ARG 304.A NH1 VAL 336.A O no hydrogen 3.080 N/A ARG 304.A NH1 LYS 341.A O no hydrogen 3.335 N/A ARG 304.A NH2 ASN 218.A OD1 no hydrogen 2.668 N/A ARG 304.A NH2 LYS 341.A O no hydrogen 2.793 N/A LEU 305.A N VAL 301.A O no hydrogen 2.900 N/A LEU 306.A N TYR 302.A O no hydrogen 2.882 N/A THR 307.A N LEU 303.A O no hydrogen 2.935 N/A THR 307.A OG1 LEU 303.A O no hydrogen 2.585 N/A SER 308.A N ARG 304.A O no hydrogen 2.895 N/A SER 308.A OG GLU 337.A OE2 no hydrogen 2.920 N/A GLY 309.A N LEU 305.A O no hydrogen 2.866 N/A TYR 310.A N LEU 306.A O no hydrogen 2.913 N/A LEU 311.A N THR 307.A O no hydrogen 2.931 N/A GLN 312.A N SER 308.A O no hydrogen 2.918 N/A GLN 312.A NE2 SER 308.A OG no hydrogen 3.097 N/A ARG 313.A N GLY 309.A O no hydrogen 2.913 N/A GLU 314.A N TYR 310.A O no hydrogen 3.113 N/A SER 315.A N GLN 312.A O no hydrogen 3.332 N/A SER 315.A OG GLN 312.A O no hydrogen 3.075 N/A PHE 317.A N GLU 314.A O no hydrogen 2.639 N/A GLU 319.A N SER 315.A O no hydrogen 2.938 N/A PHE 321.A N PHE 318.A O no hydrogen 2.636 N/A ARG 326.A NH1 GLN 334.A OE1 no hydrogen 2.990 N/A ARG 326.A NH1 GLU 335.A OE2 no hydrogen 3.525 N/A THR 327.A N GLU 330.A OE1 no hydrogen 3.154 N/A GLU 330.A N THR 327.A OG1 no hydrogen 3.347 N/A PHE 331.A N THR 327.A O no hydrogen 3.073 N/A CYS 332.A N VAL 328.A O no hydrogen 2.915 N/A CYS 332.A SG SER 308.A O no hydrogen 3.677 N/A CYS 332.A SG VAL 328.A O no hydrogen 3.544 N/A GLN 333.A N LYS 329.A O no hydrogen 2.915 N/A GLN 334.A N GLU 330.A O no hydrogen 2.922 N/A GLU 335.A N PHE 331.A O no hydrogen 2.866 N/A VAL 336.A N CYS 332.A O no hydrogen 3.281 N/A GLU 337.A N CYS 332.A O no hydrogen 2.827 N/A CYS 340.A N ASN 218.A OD1 no hydrogen 2.996 N/A CYS 340.A SG ASP 216.A O no hydrogen 3.881 N/A LYS 341.A NZ GLN 334.A O no hydrogen 3.545 N/A ASP 344.A N HIS 347.A ND1 no hydrogen 2.965 N/A HIS 347.A NE2 GLU 335.A O no hydrogen 2.893 N/A ILE 348.A N ASP 344.A O no hydrogen 3.258 N/A ILE 349.A N HIS 345.A O no hydrogen 2.960 N/A ALA 350.A N ILE 346.A O no hydrogen 2.935 N/A LEU 351.A N HIS 347.A O no hydrogen 2.906 N/A ALA 352.A N ILE 348.A O no hydrogen 2.922 N/A GLN 353.A N ILE 349.A O no hydrogen 2.908 N/A ALA 354.A N ALA 350.A O no hydrogen 2.885 N/A LEU 355.A N LEU 351.A O no hydrogen 2.948 N/A SER 356.A OG LEU 355.A O no hydrogen 2.556 N/A VAL 357.A N ALA 352.A O no hydrogen 2.990 N/A GLN 360.A N VAL 385.A O no hydrogen 3.141 N/A VAL 361.A N HIS 375.A O no hydrogen 2.885 N/A GLU 362.A N LEU 387.A O no hydrogen 2.830 N/A TYR 363.A N ASN 373.A O no hydrogen 3.168 N/A MET 364.A N TYR 389.A O no hydrogen 3.035 N/A THR 372.A N ASP 202.A OD1 no hydrogen 3.200 N/A THR 372.A OG1 ASP 202.A OD1 no hydrogen 3.248 N/A THR 372.A OG1 GLU 362.A OE1 no hydrogen 2.982 N/A HIS 375.A N VAL 361.A O no hydrogen 2.878 N/A PHE 377.A N ILE 359.A O no hydrogen 3.135 N/A LEU 387.A N GLN 360.A O no hydrogen 2.890 N/A LEU 388.A N ASP 395.A O no hydrogen 2.848 N/A TYR 389.A N GLU 362.A O no hydrogen 2.883 N/A ARG 390.A N HIS 393.A O no hydrogen 2.950 N/A ARG 390.A NH1 GLU 188.A OE1 no hydrogen 3.387 N/A ARG 390.A NH1 TYR 189.A OH no hydrogen 3.538 N/A ARG 390.A NH2 ASP 395.A OD2 no hydrogen 2.871 N/A HIS 393.A N ARG 390.A O no hydrogen 2.884 N/A ASP 395.A N LEU 388.A O no hydrogen 2.900 N/A ILE 396.A N ARG 211.A O no hydrogen 2.907 N/A LEU 397.A N TYR 386.A O no hydrogen 2.991 N/A TYR 398.A N TYR 209.A O no hydrogen 2.894 N/A TYR 398.A OH GLU 230.A OE1 no hydrogen 2.331 N/A TYR 398.A OH GLU 230.A OE2 no hydrogen 3.285 N/A