Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1g4u_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ASP 7.A OD1 no hydrogen 3.124 N/A LEU 5.A N SER 1.A O no hydrogen 3.178 N/A LEU 6.A N LYS 2.A O no hydrogen 3.220 N/A LEU 6.A N GLN 3.A O no hydrogen 3.188 N/A ASP 7.A N GLN 3.A O no hydrogen 3.222 N/A ILE 8.A N PRO 4.A O no hydrogen 3.019 N/A ALA 9.A N LEU 5.A O no hydrogen 3.237 N/A LEU 10.A N LEU 6.A O no hydrogen 3.112 N/A LYS 11.A N ASP 7.A O no hydrogen 3.229 N/A GLY 12.A N ILE 8.A O no hydrogen 3.054 N/A LEU 13.A N ALA 9.A O no hydrogen 3.037 N/A LYS 14.A N LEU 10.A O no hydrogen 3.104 N/A LYS 14.A NZ GLU 122.A OE2 no hydrogen 3.519 N/A THR 16.A N GLY 12.A O no hydrogen 2.902 N/A LEU 17.A N LEU 13.A O no hydrogen 3.079 N/A GLN 19.A N THR 16.A O no hydrogen 2.905 N/A LEU 20.A N THR 16.A O no hydrogen 3.301 N/A GLU 21.A N LEU 17.A O no hydrogen 3.233 N/A GLN 22.A N GLN 19.A O no hydrogen 3.045 N/A MET 23.A N LEU 20.A O no hydrogen 3.293 N/A LEU 28.A N ASP 24.A O no hydrogen 3.044 N/A ARG 29.A N GLY 25.A O no hydrogen 2.815 N/A ARG 29.A NH1 ASP 93.A O no hydrogen 3.524 N/A ARG 29.A NH1 ALA 95.A O no hydrogen 2.879 N/A ARG 29.A NH2 ALA 95.A O no hydrogen 2.922 N/A GLU 30.A N ASN 26.A O no hydrogen 3.411 N/A ASN 31.A N LEU 28.A O no hydrogen 2.773 N/A ASN 31.A ND2 SER 27.A O no hydrogen 2.934 N/A GLN 33.A NE2 GLU 89.A OE2 no hydrogen 3.145 N/A GLU 34.A N GLU 34.A OE2 no hydrogen 2.814 N/A MET 35.A N ASN 31.A O no hydrogen 3.198 N/A ALA 36.A N PHE 32.A O no hydrogen 2.900 N/A SER 37.A N GLU 34.A O no hydrogen 3.235 N/A SER 37.A OG GLN 33.A O no hydrogen 2.525 N/A GLY 40.A N SER 37.A O no hydrogen 3.066 N/A ARG 43.A N MET 35.A O no hydrogen 3.145 N/A ARG 43.A NH1 GLY 82.A O no hydrogen 2.852 N/A ARG 43.A NH1 THR 83.A OG1 no hydrogen 3.368 N/A SER 44.A N GLY 40.A O no hydrogen 2.900 N/A LEU 45.A N PRO 41.A O no hydrogen 2.877 N/A MET 46.A N LEU 42.A O no hydrogen 3.228 N/A THR 47.A N ARG 43.A O no hydrogen 3.047 N/A THR 47.A OG1 ARG 43.A O no hydrogen 3.219 N/A ASN 48.A N SER 44.A O no hydrogen 3.157 N/A LEU 49.A N LEU 45.A O no hydrogen 3.244 N/A GLN 50.A N MET 46.A O no hydrogen 3.286 N/A ASN 51.A N ASN 48.A O no hydrogen 3.119 N/A ASN 51.A ND2 LEU 5.A O no hydrogen 2.977 N/A LEU 52.A N LEU 49.A O no hydrogen 3.236 N/A ASN 53.A N GLN 50.A O no hydrogen 2.989 N/A LYS 54.A N ASN 51.A O no hydrogen 3.130 N/A ILE 55.A N LEU 52.A O no hydrogen 3.335 N/A ALA 58.A N ILE 55.A O no hydrogen 2.809 N/A LYS 59.A N PRO 56.A O no hydrogen 3.351 N/A LYS 59.A NZ ASP 63.A OD2 no hydrogen 2.751 N/A ASN 62.A N ALA 58.A O no hydrogen 2.817 N/A ASN 62.A ND2 ASN 53.A OD1 no hydrogen 2.911 N/A ASP 63.A N LYS 59.A O no hydrogen 2.992 N/A TYR 64.A N GLN 60.A O no hydrogen 3.339 N/A TYR 64.A OH GLU 113.A OE2 no hydrogen 2.465 N/A VAL 65.A N LEU 61.A O no hydrogen 3.064 N/A THR 66.A N ASN 62.A O no hydrogen 2.919 N/A THR 66.A OG1 ASN 62.A O no hydrogen 2.914 N/A THR 67.A N ASP 63.A O no hydrogen 3.084 N/A THR 67.A OG1 ASP 63.A O no hydrogen 3.186 N/A LEU 68.A N TYR 64.A O no hydrogen 3.268 N/A THR 69.A N VAL 65.A O no hydrogen 2.912 N/A THR 69.A OG1 VAL 65.A O no hydrogen 3.212 N/A THR 69.A OG1 THR 66.A O no hydrogen 3.364 N/A ASN 70.A N THR 67.A O no hydrogen 3.239 N/A ILE 71.A N LEU 68.A O no hydrogen 3.389 N/A GLN 72.A N ASP 161.A O no hydrogen 3.214 N/A VAL 73.A N ALA 76.A O no hydrogen 2.904 N/A PHE 78.A N ILE 71.A O no hydrogen 2.840 N/A SER 79.A N THR 69.A O no hydrogen 3.149 N/A GLN 80.A N ARG 77.A O no hydrogen 2.865 N/A GLN 80.A NE2 SER 79.A OG no hydrogen 2.930 N/A TRP 81.A N PHE 78.A O no hydrogen 2.973 N/A GLY 82.A N SER 79.A O no hydrogen 3.452 N/A THR 83.A OG1 CYS 84.A O no hydrogen 3.536 N/A GLY 85.A N GLU 89.A OE1 no hydrogen 2.616 N/A ARG 90.A N GLY 86.A O no hydrogen 3.200 N/A TRP 91.A N GLU 87.A O no hydrogen 2.980 N/A VAL 92.A N VAL 88.A O no hydrogen 2.699 N/A ASP 93.A N GLU 89.A O no hydrogen 3.049 N/A ALA 95.A N VAL 92.A O no hydrogen 3.361 N/A SER 96.A N GLU 99.A OE2 no hydrogen 3.031 N/A SER 96.A OG GLU 99.A OE2 no hydrogen 2.954 N/A GLU 99.A N SER 96.A OG no hydrogen 3.260 N/A LEU 100.A N SER 96.A O no hydrogen 2.864 N/A THR 101.A N THR 97.A O no hydrogen 2.829 N/A THR 101.A OG1 THR 97.A O no hydrogen 2.898 N/A GLN 102.A N HIS 98.A O no hydrogen 3.307 N/A ALA 103.A N GLU 99.A O no hydrogen 3.235 N/A VAL 104.A N LEU 100.A O no hydrogen 3.062 N/A LYS 105.A N THR 101.A O no hydrogen 3.268 N/A LYS 106.A N GLN 102.A O no hydrogen 3.383 N/A ILE 107.A N ALA 103.A O no hydrogen 3.255 N/A HIS 108.A N VAL 104.A O no hydrogen 3.066 N/A HIS 108.A NE2 MET 23.A O no hydrogen 3.039 N/A VAL 109.A N LYS 105.A O no hydrogen 3.090 N/A ILE 110.A N LYS 106.A O no hydrogen 2.929 N/A ALA 111.A N ILE 107.A O no hydrogen 2.866 N/A LYS 112.A N HIS 108.A O no hydrogen 3.084 N/A LYS 112.A NZ HIS 108.A O no hydrogen 3.275 N/A GLU 113.A N VAL 109.A O no hydrogen 3.028 N/A LEU 114.A N ILE 110.A O no hydrogen 3.004 N/A LYS 115.A N LYS 112.A O no hydrogen 3.027 N/A LYS 115.A NZ GLU 21.A OE1 no hydrogen 3.015 N/A ASN 116.A N GLU 113.A O no hydrogen 3.021 N/A ASN 116.A ND2 GLU 113.A O no hydrogen 3.323 N/A ASN 116.A ND2 GLU 113.A OE2 no hydrogen 3.456 N/A VAL 117.A N LEU 114.A O no hydrogen 3.259 N/A ALA 119.A N LYS 115.A O no hydrogen 3.094 N/A GLU 120.A N ASN 116.A O no hydrogen 3.204 N/A LEU 121.A N VAL 117.A O no hydrogen 2.957 N/A GLU 122.A N THR 118.A O no hydrogen 2.972 N/A LYS 123.A N ALA 119.A O no hydrogen 3.318 N/A ILE 124.A N GLU 120.A O no hydrogen 3.218 N/A GLU 125.A N LEU 121.A O no hydrogen 3.097 N/A ALA 126.A N LYS 123.A O no hydrogen 2.966 N/A THR 133.A OG1 GLN 132.A O no hydrogen 3.035 N/A GLY 136.A N ILE 151.A O no hydrogen 2.926 N/A THR 138.A N GLU 113.A OE1 no hydrogen 3.431 N/A LEU 139.A N GLU 113.A OE1 no hydrogen 3.203 N/A LEU 141.A N THR 138.A O no hydrogen 2.748 N/A SER 148.A N ALA 145.A O no hydrogen 3.051 N/A ILE 149.A N ALA 145.A O no hydrogen 2.980 N/A ILE 151.A N SER 135.A OG no hydrogen 3.119 N/A ASN 152.A N ARG 337.A O no hydrogen 3.161 N/A GLN 153.A NE2 GLN 60.A O no hydrogen 3.375 N/A GLN 153.A NE2 GLN 60.A OE1 no hydrogen 3.336 N/A GLN 154.A NE2 GLN 60.A OE1 no hydrogen 3.673 N/A THR 155.A N ASN 152.A OD1 no hydrogen 3.121 N/A THR 155.A OG1 SER 336.A O no hydrogen 2.526 N/A GLN 156.A NE2 PRO 137.A O no hydrogen 3.051 N/A GLN 156.A NE2 VAL 165.A O no hydrogen 3.015 N/A VAL 157.A N VAL 167.A O no hydrogen 2.888 N/A LEU 159.A N MET 163.A O no hydrogen 2.900 N/A SER 160.A N GLU 200.A OE1 no hydrogen 2.842 N/A SER 160.A OG GLU 200.A OE1 no hydrogen 3.378 N/A GLY 162.A N LEU 159.A O no hydrogen 2.949 N/A MET 163.A N ASP 161.A OD1 no hydrogen 2.831 N/A VAL 165.A N VAL 157.A O no hydrogen 3.130 N/A VAL 167.A N VAL 165.A O no hydrogen 2.855 N/A ASN 168.A N ALA 180.A O no hydrogen 2.776 N/A ASN 168.A ND2 THR 155.A OG1 no hydrogen 3.138 N/A THR 169.A N THR 155.A O no hydrogen 3.215 N/A LEU 170.A N ALA 178.A O no hydrogen 2.873 N/A THR 171.A N SER 336.A OG no hydrogen 3.309 N/A THR 171.A OG1 SER 336.A OG no hydrogen 3.379 N/A PHE 172.A N LYS 175.A O no hydrogen 2.843 N/A ASP 173.A N ASP 332.A OD2 no hydrogen 2.995 N/A LYS 175.A N PHE 172.A O no hydrogen 2.905 N/A VAL 177.A N LEU 170.A O no hydrogen 2.772 N/A LEU 179.A N PRO 298.A O no hydrogen 3.017 N/A ALA 180.A N ASN 168.A O no hydrogen 2.797 N/A GLY 181.A N ILE 300.A O no hydrogen 3.411 N/A TYR 183.A N LEU 303.A O no hydrogen 3.072 N/A TYR 183.A OH PRO 221.A O no hydrogen 2.855 N/A LYS 185.A NZ GLY 140.A O no hydrogen 2.548 N/A THR 187.A N LYS 185.A O no hydrogen 2.676 N/A LEU 191.A N THR 187.A O no hydrogen 2.623 N/A GLU 192.A N PRO 188.A O no hydrogen 2.884 N/A ALA 193.A N ASP 189.A O no hydrogen 3.316 N/A HIS 194.A N ALA 190.A O no hydrogen 3.317 N/A HIS 194.A NE2 TYR 223.A OH no hydrogen 3.010 N/A MET 195.A N LEU 191.A O no hydrogen 3.287 N/A LYS 196.A N GLU 192.A O no hydrogen 3.009 N/A LYS 196.A NZ GLU 192.A OE1 no hydrogen 2.896 N/A MET 197.A N ALA 193.A O no hydrogen 3.091 N/A LEU 198.A N HIS 194.A O no hydrogen 3.263 N/A LEU 199.A N MET 195.A O no hydrogen 3.490 N/A GLU 200.A N LYS 196.A O no hydrogen 3.191 N/A LYS 201.A N MET 197.A O no hydrogen 2.886 N/A GLU 202.A N LEU 199.A O no hydrogen 3.155 N/A CYS 203.A N LEU 198.A O no hydrogen 3.141 N/A CYS 203.A SG LEU 198.A O no hydrogen 3.949 N/A SER 204.A N LEU 297.A O no hydrogen 3.025 N/A CYS 205.A SG VAL 292.A O no hydrogen 4.030 N/A LEU 206.A N PRO 266.A O no hydrogen 3.220 N/A VAL 207.A N MET 299.A O no hydrogen 2.836 N/A VAL 208.A N LEU 268.A O no hydrogen 3.018 N/A LEU 209.A N HIS 301.A O no hydrogen 3.121 N/A SER 211.A OG LYS 271.A O no hydrogen 3.563 N/A MET 215.A N SER 211.A O no hydrogen 3.150 N/A GLN 216.A N GLU 212.A O no hydrogen 2.999 N/A GLN 216.A N ASP 213.A O no hydrogen 3.104 N/A ALA 217.A N ASP 213.A O no hydrogen 3.018 N/A LYS 218.A N GLN 214.A O no hydrogen 3.014 N/A GLN 219.A N GLN 216.A O no hydrogen 2.630 N/A LEU 220.A N MET 215.A O no hydrogen 2.544 N/A TYR 223.A OH HIS 301.A NE2 no hydrogen 3.097 N/A ARG 225.A NH2 GLU 212.A OE2 no hydrogen 2.656 N/A SER 227.A OG THR 235.A O no hydrogen 2.774 N/A SER 227.A OG ASN 236.A OD1 no hydrogen 2.794 N/A TYR 228.A OH PRO 222.A O no hydrogen 3.301 N/A THR 229.A OG1 VAL 233.A O no hydrogen 3.352 N/A PHE 230.A N VAL 233.A O no hydrogen 2.684 N/A VAL 233.A N PHE 230.A O no hydrogen 2.831 N/A THR 235.A N TYR 228.A O no hydrogen 2.885 N/A ASN 236.A N GLN 255.A O no hydrogen 3.221 N/A ASN 236.A ND2 GLN 255.A OE1 no hydrogen 2.997 N/A GLN 238.A N ASN 253.A O no hydrogen 3.197 N/A GLN 238.A NE2 ASN 253.A O no hydrogen 2.917 N/A GLN 238.A NE2 GLN 255.A OE1 no hydrogen 3.410 N/A LYS 239.A NZ SER 241.A O no hydrogen 2.966 N/A LYS 239.A NZ SER 242.A O no hydrogen 3.126 N/A VAL 240.A N GLN 251.A O no hydrogen 2.839 N/A SER 241.A N GLN 251.A O no hydrogen 3.328 N/A ALA 248.A N GLY 246.A O no hydrogen 2.832 N/A ASP 250.A N HIS 269.A O no hydrogen 3.333 N/A GLN 251.A N SER 241.A OG no hydrogen 3.229 N/A TYR 252.A N VAL 267.A O no hydrogen 2.844 N/A ASN 253.A N GLN 238.A O no hydrogen 3.156 N/A MET 254.A N ILE 265.A O no hydrogen 2.800 N/A GLN 255.A N ASN 236.A O no hydrogen 2.918 N/A LEU 256.A N TYR 263.A O no hydrogen 2.724 N/A CYS 258.A N LYS 261.A O no hydrogen 2.890 N/A CYS 258.A SG GLU 232.A OE2 no hydrogen 2.964 N/A LYS 261.A N CYS 258.A O no hydrogen 3.370 N/A TYR 263.A N LEU 256.A O no hydrogen 2.915 N/A TYR 263.A OH CYS 203.A O no hydrogen 3.189 N/A ILE 265.A N MET 254.A O no hydrogen 2.707 N/A VAL 267.A N TYR 252.A O no hydrogen 3.167 N/A LEU 268.A N LEU 206.A O no hydrogen 3.033 N/A HIS 269.A N ASP 250.A O no hydrogen 3.033 N/A HIS 269.A NE2 THR 210.A O no hydrogen 2.842 N/A VAL 270.A N VAL 208.A O no hydrogen 2.858 N/A LYS 271.A N ALA 248.A O no hydrogen 3.350 N/A LYS 271.A NZ GLU 212.A OE1 no hydrogen 2.926 N/A ASN 272.A ND2 GLN 284.A OE1 no hydrogen 3.020 N/A TRP 273.A NE1 GLN 277.A O no hydrogen 2.689 N/A HIS 276.A ND1 ASP 344.A OD1 no hydrogen 3.252 N/A GLN 277.A N PRO 274.A O no hydrogen 3.082 N/A GLN 277.A NE2 HIS 276.A O no hydrogen 2.368 N/A LEU 279.A N GLN 350.A OE1 no hydrogen 2.881 N/A GLU 286.A N THR 282.A O no hydrogen 3.072 N/A TYR 287.A N ASP 283.A O no hydrogen 2.872 N/A LEU 288.A N GLN 284.A O no hydrogen 2.956 N/A ALA 289.A N LEU 285.A O no hydrogen 3.146 N/A ASP 290.A N GLU 286.A O no hydrogen 3.373 N/A ARG 291.A N TYR 287.A O no hydrogen 2.954 N/A ARG 291.A NH1 GLN 251.A OE1 no hydrogen 2.860 N/A ARG 291.A NH2 GLN 251.A OE1 no hydrogen 2.758 N/A VAL 292.A N LEU 288.A O no hydrogen 2.957 N/A LYS 293.A N ALA 289.A O no hydrogen 2.914 N/A LYS 293.A NZ ASP 320.A OD2 no hydrogen 2.962 N/A ASN 294.A N ASP 290.A O no hydrogen 2.955 N/A ASN 294.A ND2 ASP 290.A OD2 no hydrogen 3.055 N/A HIS 296.A N LYS 201.A O no hydrogen 3.423 N/A MET 299.A N CYS 205.A O no hydrogen 2.918 N/A ILE 300.A N LEU 179.A O no hydrogen 3.020 N/A HIS 301.A N VAL 207.A O no hydrogen 3.231 N/A HIS 301.A ND1 CYS 302.A O no hydrogen 3.278 N/A HIS 301.A NE2 TYR 223.A OH no hydrogen 3.097 N/A CYS 302.A SG THR 309.A OG1 no hydrogen 3.035 N/A ARG 308.A NH1 GLN 214.A OE1 no hydrogen 3.403 N/A ARG 308.A NH1 TRP 273.A O no hydrogen 3.220 N/A ARG 308.A NH2 GLN 214.A OE1 no hydrogen 2.934 N/A THR 311.A N GLY 307.A O no hydrogen 3.116 N/A THR 311.A OG1 GLY 307.A O no hydrogen 3.274 N/A THR 311.A OG1 GLN 347.A OE1 no hydrogen 2.808 N/A MET 312.A N ARG 308.A O no hydrogen 2.929 N/A ALA 313.A N THR 309.A O no hydrogen 3.229 N/A ALA 314.A N GLY 310.A O no hydrogen 2.987 N/A ALA 315.A N THR 311.A O no hydrogen 3.077 N/A LEU 316.A N ALA 313.A O no hydrogen 3.001 N/A VAL 317.A N ALA 313.A O no hydrogen 3.355 N/A LEU 318.A N ALA 314.A O no hydrogen 3.174 N/A LYS 319.A N ALA 315.A O no hydrogen 3.274 N/A LYS 319.A NZ ASP 290.A OD1 no hydrogen 3.019 N/A ASP 320.A N VAL 317.A O no hydrogen 3.098 N/A ASN 321.A N VAL 317.A O no hydrogen 3.140 N/A SER 324.A N ASN 321.A O no hydrogen 2.796 N/A SER 324.A OG ASN 321.A O no hydrogen 2.797 N/A GLU 327.A N ASN 325.A OD1 no hydrogen 2.905 N/A GLN 328.A N ASN 325.A OD1 no hydrogen 3.146 N/A GLN 328.A NE2 GLN 328.A O no hydrogen 3.432 N/A GLN 328.A NE2 ASP 332.A OD1 no hydrogen 3.089 N/A VAL 329.A N ASN 325.A O no hydrogen 3.103 N/A ARG 330.A N LEU 326.A O no hydrogen 3.241 N/A ALA 331.A N GLU 327.A O no hydrogen 3.243 N/A ASP 332.A N GLN 328.A O no hydrogen 2.906 N/A PHE 333.A N VAL 329.A O no hydrogen 2.853 N/A ARG 334.A N ARG 330.A O no hydrogen 3.024 N/A ARG 334.A NE MET 341.A O no hydrogen 2.968 N/A ARG 334.A NH2 MET 341.A O no hydrogen 3.272 N/A ASP 335.A N ALA 331.A O no hydrogen 3.221 N/A SER 336.A N PHE 333.A O no hydrogen 2.826 N/A SER 336.A OG THR 171.A OG1 no hydrogen 3.379 N/A SER 336.A OG ASP 332.A O no hydrogen 2.825 N/A ARG 337.A N PHE 333.A O no hydrogen 3.125 N/A ARG 337.A NE GLY 305.A O no hydrogen 3.191 N/A ARG 337.A NH1 ASN 168.A OD1 no hydrogen 2.767 N/A ARG 337.A NH2 GLY 304.A O no hydrogen 3.431 N/A ASN 338.A ND2 PRO 150.A O no hydrogen 2.697 N/A ARG 340.A N ASN 338.A OD1 no hydrogen 2.865 N/A ARG 340.A NE SER 148.A O no hydrogen 3.346 N/A ARG 340.A NH1 GLU 343.A OE1 no hydrogen 3.369 N/A ARG 340.A NH2 SER 148.A O no hydrogen 2.854 N/A MET 341.A N ASN 338.A O no hydrogen 3.326 N/A LEU 342.A N VAL 306.A O no hydrogen 2.915 N/A GLN 347.A N ASP 344.A O no hydrogen 3.322 N/A GLN 347.A NE2 GLN 277.A O no hydrogen 2.643 N/A PHE 348.A N ALA 345.A O no hydrogen 2.998 N/A VAL 349.A N ALA 345.A O no hydrogen 3.236 N/A GLN 350.A N SER 346.A O no hydrogen 3.368 N/A GLN 350.A NE2 LEU 279.A O no hydrogen 3.089 N/A LEU 351.A N GLN 347.A O no hydrogen 3.203 N/A LYS 352.A N PHE 348.A O no hydrogen 3.239 N/A LYS 352.A NZ GLU 327.A OE2 no hydrogen 3.543 N/A ALA 353.A N VAL 349.A O no hydrogen 3.113 N/A MET 354.A N GLN 350.A O no hydrogen 3.064 N/A GLN 355.A N LEU 351.A O no hydrogen 2.987 N/A GLN 355.A NE2 PRO 322.A O no hydrogen 2.861 N/A GLN 355.A NE2 SER 324.A O no hydrogen 2.878 N/A ALA 356.A N LYS 352.A O no hydrogen 3.045 N/A GLN 357.A N ALA 353.A O no hydrogen 3.082 N/A GLN 357.A NE2 ASP 283.A OD1 no hydrogen 2.972 N/A GLN 357.A NE2 GLU 286.A OE2 no hydrogen 3.539 N/A LEU 358.A N MET 354.A O no hydrogen 3.036 N/A LEU 359.A N GLN 355.A O no hydrogen 3.014 N/A LEU 359.A N ALA 356.A O no hydrogen 3.254 N/A MET 360.A N GLN 357.A O no hydrogen 3.072 N/A