Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1b6s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ THR 263.A O no hydrogen 2.939 N/A GLN 3.A NE2 GLN 43.A O no hydrogen 2.927 N/A GLN 3.A NE2 GLN 43.A OE1 no hydrogen 3.543 N/A VAL 4.A N ALA 26.A O no hydrogen 2.703 N/A CYS 5.A N VAL 45.A O no hydrogen 2.835 N/A CYS 5.A SG SER 44.A OG no hydrogen 3.104 N/A VAL 6.A N TRP 28.A O no hydrogen 2.592 N/A LEU 7.A N THR 47.A O no hydrogen 2.802 N/A GLY 8.A N VAL 30.A O no hydrogen 2.634 N/A GLY 10.A N GLU 49.A OE2 no hydrogen 2.471 N/A GLN 11.A N GLN 11.A OE1 no hydrogen 3.067 N/A GLY 13.A N GLU 49.A OE1 no hydrogen 3.090 N/A ARG 14.A N GLY 10.A O no hydrogen 3.302 N/A ARG 14.A NH2 TRP 300.A O no hydrogen 2.681 N/A MET 15.A N GLN 11.A O no hydrogen 2.835 N/A LEU 16.A N LEU 12.A O no hydrogen 2.718 N/A ARG 17.A N GLY 13.A O no hydrogen 2.707 N/A GLN 18.A N ARG 14.A O no hydrogen 2.922 N/A ALA 19.A N MET 15.A O no hydrogen 2.929 N/A GLY 20.A N LEU 16.A O no hydrogen 3.001 N/A GLU 21.A N ARG 17.A O no hydrogen 3.345 N/A LEU 23.A N GLY 20.A O no hydrogen 2.850 N/A GLY 24.A N GLU 21.A O no hydrogen 3.116 N/A ILE 25.A N GLY 20.A O no hydrogen 3.032 N/A ALA 26.A N LYS 2.A O no hydrogen 2.810 N/A TRP 28.A N VAL 4.A O no hydrogen 2.830 N/A TRP 28.A NE1 GLN 3.A OE1 no hydrogen 3.215 N/A VAL 30.A N VAL 6.A O no hydrogen 2.495 N/A ALA 34.A N GLY 31.A O no hydrogen 2.771 N/A ALA 38.A N GLU 35.A O no hydrogen 2.805 N/A GLN 43.A N PRO 40.A O no hydrogen 2.822 N/A GLN 43.A NE2 GLN 42.A OE1 no hydrogen 2.903 N/A SER 44.A N PHE 41.A O no hydrogen 3.332 N/A SER 44.A OG PRO 40.A O no hydrogen 2.671 N/A VAL 45.A N GLN 3.A O no hydrogen 2.977 N/A ILE 46.A N ALA 67.A O no hydrogen 2.952 N/A THR 47.A N CYS 5.A O no hydrogen 2.977 N/A THR 47.A OG1 HIS 258.A NE2 no hydrogen 2.955 N/A GLU 49.A N LEU 7.A O no hydrogen 2.663 N/A THR 56.A N THR 59.A OG1 no hydrogen 2.619 N/A THR 56.A OG1 LEU 32.A O no hydrogen 3.279 N/A THR 59.A N THR 56.A OG1 no hydrogen 3.341 N/A THR 59.A OG1 PRO 54.A O no hydrogen 2.928 N/A THR 59.A OG1 THR 56.A O no hydrogen 2.952 N/A ARG 60.A N THR 56.A O no hydrogen 2.662 N/A ARG 60.A NE GLU 55.A OE2 no hydrogen 2.473 N/A ARG 60.A NH2 GLU 55.A OE2 no hydrogen 2.709 N/A GLU 61.A N ALA 57.A O no hydrogen 3.049 N/A LEU 62.A N LEU 58.A O no hydrogen 2.904 N/A ALA 63.A N ARG 60.A O no hydrogen 3.024 N/A ARG 64.A N GLU 61.A O no hydrogen 3.149 N/A HIS 65.A NE2 PHE 41.A O no hydrogen 2.896 N/A ALA 67.A N HIS 65.A ND1 no hydrogen 2.767 N/A PHE 68.A N HIS 65.A O no hydrogen 3.365 N/A VAL 69.A N ILE 46.A O no hydrogen 3.154 N/A ASN 70.A ND2 VAL 216.A O no hydrogen 2.299 N/A ARG 71.A N PHE 68.A O no hydrogen 3.128 N/A ARG 71.A NE ASP 72.A OD1 no hydrogen 3.394 N/A ARG 71.A NH1 LEU 62.A O no hydrogen 3.390 N/A ARG 71.A NH1 HIS 65.A O no hydrogen 2.640 N/A ARG 71.A NH2 ASP 72.A OD2 no hydrogen 3.461 N/A VAL 73.A N ASN 70.A O no hydrogen 2.769 N/A PHE 74.A N ASN 70.A O no hydrogen 3.233 N/A ILE 76.A N VAL 73.A O no hydrogen 3.064 N/A ILE 77.A N VAL 73.A O no hydrogen 3.382 N/A ALA 78.A N PHE 74.A O no hydrogen 2.632 N/A ARG 80.A N ARG 122.A O no hydrogen 2.893 N/A ARG 80.A NE ARG 121.A O no hydrogen 3.370 N/A ARG 80.A NH2 GLU 234.A OE2 no hydrogen 3.245 N/A LEU 81.A N ASP 79.A OD1 no hydrogen 2.708 N/A THR 82.A OG1 ILE 76.A O no hydrogen 2.299 N/A THR 82.A OG1 ASP 79.A O no hydrogen 2.904 N/A GLN 83.A N ASP 79.A O no hydrogen 2.832 N/A GLN 83.A NE2 ILE 77.A O no hydrogen 2.925 N/A LYS 84.A N ARG 80.A O no hydrogen 2.940 N/A LYS 84.A NZ THR 94.A OG1 no hydrogen 2.804 N/A LYS 84.A NZ ALA 95.A O no hydrogen 2.592 N/A LYS 84.A NZ GLU 149.A OE2 no hydrogen 3.106 N/A GLN 85.A N LEU 81.A O no hydrogen 2.855 N/A LEU 86.A N THR 82.A O no hydrogen 2.811 N/A PHE 87.A N GLN 83.A O no hydrogen 3.150 N/A ASP 88.A N LYS 84.A O no hydrogen 3.151 N/A LYS 89.A N GLN 85.A O no hydrogen 2.902 N/A LEU 90.A N LEU 86.A O no hydrogen 3.031 N/A LEU 90.A N PHE 87.A O no hydrogen 2.878 N/A HIS 91.A N ASP 88.A O no hydrogen 3.396 N/A LEU 92.A N PHE 87.A O no hydrogen 3.200 N/A THR 94.A OG1 ILE 232.A O no hydrogen 2.810 N/A TRP 97.A NE1 ASP 88.A OD2 no hydrogen 2.510 N/A GLN 98.A N VAL 148.A O no hydrogen 2.875 N/A LEU 100.A N CYS 146.A O no hydrogen 3.090 N/A ALA 101.A N LEU 99.A O no hydrogen 3.199 N/A ALA 101.A N GLU 105.A OE1 no hydrogen 3.178 N/A SER 104.A OG GLU 102.A OE1 no hydrogen 2.566 N/A TRP 106.A N ARG 103.A O no hydrogen 3.254 N/A VAL 109.A N GLU 105.A O no hydrogen 2.796 N/A PHE 110.A N TRP 106.A O no hydrogen 2.838 N/A ASP 111.A N ALA 108.A O no hydrogen 2.591 N/A ARG 112.A N ALA 108.A O no hydrogen 2.744 N/A ARG 112.A NH2 ASP 111.A OD2 no hydrogen 3.016 N/A LEU 113.A N VAL 109.A O no hydrogen 3.010 N/A ALA 117.A N LEU 130.A O no hydrogen 3.011 N/A ILE 118.A N GLU 149.A O no hydrogen 3.043 N/A VAL 119.A N TRP 128.A O no hydrogen 2.827 N/A LYS 120.A N ILE 147.A O no hydrogen 3.302 N/A LYS 120.A NZ ASN 233.A OD1 no hydrogen 3.201 N/A ARG 122.A N GLU 145.A O no hydrogen 3.170 N/A TRP 128.A N VAL 119.A O no hydrogen 2.834 N/A ARG 129.A NE GLN 127.A OE1 no hydrogen 3.169 N/A LEU 130.A N ALA 117.A O no hydrogen 2.844 N/A ASN 133.A N ASN 133.A OD1 no hydrogen 2.561 N/A GLU 134.A N ARG 131.A O no hydrogen 2.658 N/A THR 135.A N ARG 131.A O no hydrogen 3.266 N/A THR 135.A OG1 ARG 131.A O no hydrogen 3.355 N/A THR 135.A OG1 ALA 132.A O no hydrogen 2.597 N/A GLN 137.A N GLU 134.A O no hydrogen 2.297 N/A TYR 143.A N ALA 140.A O no hydrogen 3.099 N/A GLY 144.A N LEU 100.A O no hydrogen 2.755 N/A CYS 146.A SG GLU 145.A O no hydrogen 3.255 N/A ILE 147.A N LYS 120.A O no hydrogen 2.865 N/A VAL 148.A N GLN 98.A O no hydrogen 2.879 N/A GLU 149.A N ILE 118.A O no hydrogen 2.903 N/A GLN 150.A N PRO 96.A O no hydrogen 2.798 N/A SER 155.A N VAL 225.A O no hydrogen 2.538 N/A SER 155.A OG VAL 225.A O no hydrogen 2.785 N/A VAL 158.A N CYS 223.A O no hydrogen 2.880 N/A SER 159.A N THR 176.A O no hydrogen 2.935 N/A SER 159.A OG ASN 178.A OD1 no hydrogen 3.113 N/A SER 159.A OG SER 242.A OG no hydrogen 2.721 N/A LEU 160.A N MET 221.A O no hydrogen 2.788 N/A GLY 162.A N MET 219.A O no hydrogen 3.224 N/A ALA 163.A N VAL 171.A O no hydrogen 2.876 N/A ARG 164.A N GLY 217.A O no hydrogen 3.173 N/A ARG 164.A NE TYR 215.A O no hydrogen 2.735 N/A GLY 165.A N SER 169.A O no hydrogen 2.643 N/A GLY 168.A N GLY 165.A O no hydrogen 2.918 N/A SER 169.A N ASP 167.A OD1 no hydrogen 3.047 N/A SER 169.A OG ASP 167.A OD1 no hydrogen 2.771 N/A SER 169.A OG ASP 167.A OD2 no hydrogen 3.208 N/A VAL 171.A N ALA 163.A O no hydrogen 2.917 N/A TYR 173.A N VAL 161.A O no hydrogen 2.752 N/A TYR 173.A OH ILE 252.A O no hydrogen 2.614 N/A LEU 175.A N GLN 199.A OE1 no hydrogen 3.098 N/A THR 176.A N SER 159.A O no hydrogen 3.100 N/A HIS 177.A N VAL 189.A O no hydrogen 2.776 N/A ASN 178.A N GLU 157.A O no hydrogen 3.105 N/A LEU 179.A N THR 187.A O no hydrogen 2.659 N/A HIS 180.A ND1 GLU 157.A OE2 no hydrogen 2.877 N/A GLN 181.A N ILE 184.A O no hydrogen 2.494 N/A ILE 184.A N GLN 181.A O no hydrogen 3.100 N/A ARG 186.A N LEU 179.A O no hydrogen 2.586 N/A ARG 186.A NH1 GLU 338.A OE1 no hydrogen 3.280 N/A ARG 186.A NH2 GLU 338.A OE1 no hydrogen 3.316 N/A THR 187.A N LEU 179.A O no hydrogen 3.196 N/A SER 188.A N MET 278.A O no hydrogen 3.271 N/A VAL 189.A N HIS 177.A O no hydrogen 2.940 N/A ALA 190.A N SER 276.A O no hydrogen 3.005 N/A GLN 198.A N ASN 195.A OD1 no hydrogen 2.516 N/A GLN 199.A N ASN 195.A O no hydrogen 2.676 N/A GLN 199.A NE2 TYR 173.A O no hydrogen 2.976 N/A GLN 199.A NE2 GLU 203.A OE2 no hydrogen 2.858 N/A ALA 200.A N ALA 196.A O no hydrogen 3.011 N/A ARG 201.A N GLN 197.A O no hydrogen 3.253 N/A ALA 202.A N GLN 198.A O no hydrogen 3.036 N/A GLU 203.A N GLN 199.A O no hydrogen 2.849 N/A GLU 204.A N ALA 200.A O no hydrogen 2.787 N/A MET 205.A N ARG 201.A O no hydrogen 3.050 N/A LEU 206.A N ALA 202.A O no hydrogen 2.853 N/A SER 207.A N GLU 203.A O no hydrogen 2.862 N/A SER 207.A OG GLU 203.A O no hydrogen 2.615 N/A ALA 208.A N GLU 204.A O no hydrogen 3.028 N/A ILE 209.A N MET 205.A O no hydrogen 3.132 N/A MET 210.A N LEU 206.A O no hydrogen 2.905 N/A GLN 211.A N SER 207.A O no hydrogen 2.795 N/A GLU 212.A N ALA 208.A O no hydrogen 2.744 N/A LEU 213.A N ILE 209.A O no hydrogen 2.893 N/A GLY 214.A N GLN 211.A O no hydrogen 2.731 N/A TYR 215.A N MET 210.A O no hydrogen 2.721 N/A TYR 215.A OH VAL 218.A O no hydrogen 2.679 N/A VAL 216.A N ASN 70.A OD1 no hydrogen 2.750 N/A GLY 217.A N ARG 164.A O no hydrogen 2.974 N/A VAL 218.A N HIS 258.A ND1 no hydrogen 2.954 N/A MET 219.A N GLY 162.A O no hydrogen 2.817 N/A ALA 220.A N ALA 236.A O no hydrogen 2.872 N/A MET 221.A N LEU 160.A O no hydrogen 2.926 N/A GLU 222.A N GLU 234.A O no hydrogen 2.701 N/A CYS 223.A N VAL 158.A O no hydrogen 2.661 N/A PHE 224.A N LEU 231.A O no hydrogen 2.866 N/A VAL 225.A N GLY 156.A O no hydrogen 2.740 N/A THR 226.A N GLY 229.A O no hydrogen 3.170 N/A THR 226.A OG1 GLN 228.A OE1 no hydrogen 3.251 N/A THR 226.A OG1 GLY 229.A O no hydrogen 2.381 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 3.083 N/A GLY 229.A N THR 226.A O no hydrogen 2.595 N/A LEU 231.A N PHE 224.A O no hydrogen 3.085 N/A ILE 232.A N PRO 93.A O no hydrogen 2.724 N/A ASN 233.A N GLU 222.A O no hydrogen 2.517 N/A GLU 234.A N GLU 222.A O no hydrogen 3.136 N/A LEU 235.A N GLN 83.A OE1 no hydrogen 3.137 N/A ALA 236.A N ALA 220.A O no hydrogen 2.888 N/A ARG 238.A NE GLU 51.A OE1 no hydrogen 3.411 N/A ARG 238.A NH1 VAL 239.A O no hydrogen 3.068 N/A HIS 240.A N GLN 254.A OE1 no hydrogen 2.999 N/A HIS 240.A ND1 SER 242.A OG no hydrogen 2.573 N/A ASN 241.A ND2 ASN 280.A OD1 no hydrogen 3.577 N/A SER 242.A N HIS 240.A ND1 no hydrogen 2.978 N/A SER 242.A OG SER 159.A OG no hydrogen 2.721 N/A SER 242.A OG HIS 240.A ND1 no hydrogen 2.573 N/A GLY 243.A N HIS 240.A O no hydrogen 2.921 N/A HIS 244.A N ASN 241.A O no hydrogen 3.266 N/A TRP 245.A NE1 THR 176.A OG1 no hydrogen 2.967 N/A THR 246.A N GLY 243.A O no hydrogen 2.792 N/A THR 246.A OG1 GLY 243.A O no hydrogen 2.791 N/A GLN 247.A N HIS 244.A O no hydrogen 2.890 N/A ASN 248.A N TRP 245.A O no hydrogen 2.935 N/A GLY 249.A N TRP 245.A O no hydrogen 2.922 N/A SER 251.A N VAL 271.A O no hydrogen 2.904 N/A SER 253.A N GLU 256.A OE1 no hydrogen 3.474 N/A GLN 254.A N THR 246.A OG1 no hydrogen 3.060 N/A GLN 254.A NE2 HIS 240.A O no hydrogen 2.926 N/A GLU 256.A N SER 253.A OG no hydrogen 3.145 N/A LEU 257.A N SER 253.A O no hydrogen 2.769 N/A HIS 258.A N GLN 254.A O no hydrogen 2.811 N/A HIS 258.A NE2 THR 47.A OG1 no hydrogen 2.955 N/A LEU 259.A N PHE 255.A O no hydrogen 3.220 N/A ARG 260.A N GLU 256.A O no hydrogen 2.993 N/A ARG 260.A NH1 PRO 266.A O no hydrogen 2.740 N/A ARG 260.A NH2 GLU 256.A OE2 no hydrogen 3.432 N/A ALA 261.A N LEU 257.A O no hydrogen 3.185 N/A ILE 262.A N HIS 258.A O no hydrogen 3.083 N/A THR 263.A N LEU 259.A O no hydrogen 2.665 N/A THR 263.A N ARG 260.A O no hydrogen 3.170 N/A THR 263.A OG1 LEU 259.A O no hydrogen 2.777 N/A ASP 264.A N ALA 261.A O no hydrogen 3.184 N/A LEU 265.A N ARG 260.A O no hydrogen 2.521 N/A GLN 269.A NE2 PHE 172.A O no hydrogen 2.588 N/A VAL 271.A N SER 251.A OG no hydrogen 2.568 N/A SER 276.A N ALA 190.A O no hydrogen 2.750 N/A SER 276.A OG THR 317.A OG1 no hydrogen 2.748 N/A VAL 277.A N LEU 316.A O no hydrogen 2.708 N/A MET 278.A N SER 188.A O no hydrogen 3.070 N/A ILE 279.A N LEU 314.A O no hydrogen 2.761 N/A ASN 280.A N ARG 186.A O no hydrogen 3.088 N/A ASN 280.A ND2 LEU 185.A O no hydrogen 2.669 N/A ASN 280.A ND2 ASN 241.A OD1 no hydrogen 3.320 N/A LEU 281.A N GLY 312.A O no hydrogen 2.817 N/A ILE 282.A N TYR 339.A OH no hydrogen 3.042 N/A GLY 283.A N ARG 309.A O no hydrogen 2.630 N/A SER 284.A OG ILE 282.A O no hydrogen 3.068 N/A SER 284.A OG TYR 339.A OH no hydrogen 2.346 N/A ASN 287.A ND2 LEU 334.A O no hydrogen 3.280 N/A ASP 289.A N ASN 287.A OD1 no hydrogen 3.424 N/A TRP 290.A N ASN 287.A O no hydrogen 2.752 N/A TRP 290.A NE1 LEU 334.A O no hydrogen 2.790 N/A LEU 291.A N TYR 288.A O no hydrogen 3.248 N/A LYS 292.A N ASP 289.A O no hydrogen 3.199 N/A LYS 292.A NZ ASP 289.A OD1 no hydrogen 3.372 N/A LYS 292.A NZ ASP 289.A OD2 no hydrogen 3.366 N/A LEU 293.A N TRP 290.A O no hydrogen 3.304 N/A VAL 296.A N LEU 293.A O no hydrogen 3.013 N/A HIS 297.A N ASN 315.A O no hydrogen 2.782 N/A HIS 299.A N HIS 313.A O no hydrogen 2.849 N/A HIS 299.A NE2 ASN 248.A OD1 no hydrogen 2.922 N/A TYR 301.A N VAL 311.A O no hydrogen 2.799 N/A TYR 301.A OH HIS 313.A ND1 no hydrogen 2.459 N/A LYS 303.A NZ GLN 11.A OE1 no hydrogen 3.246 N/A LYS 303.A NZ LYS 310.A O no hydrogen 2.725 N/A ARG 309.A N ARG 306.A O no hydrogen 2.939 N/A ARG 309.A NH1 GLU 304.A O no hydrogen 2.611 N/A LYS 310.A NZ ASN 241.A OD1 no hydrogen 2.391 N/A VAL 311.A N LEU 281.A O no hydrogen 2.801 N/A HIS 313.A N HIS 299.A O no hydrogen 2.821 N/A HIS 313.A ND1 TYR 301.A OH no hydrogen 2.459 N/A HIS 313.A NE2 GLN 247.A OE1 no hydrogen 2.823 N/A LEU 314.A N ILE 279.A O no hydrogen 2.844 N/A ASN 315.A N HIS 297.A O no hydrogen 2.749 N/A ASN 315.A ND2 HIS 244.A O no hydrogen 2.989 N/A ASN 315.A ND2 ASN 248.A OD1 no hydrogen 3.128 N/A ASN 315.A ND2 HIS 299.A NE2 no hydrogen 3.504 N/A LEU 316.A N VAL 277.A O no hydrogen 2.668 N/A THR 317.A OG1 PRO 275.A O no hydrogen 2.729 N/A THR 317.A OG1 SER 276.A OG no hydrogen 2.748 N/A SER 322.A N ASP 320.A OD1 no hydrogen 2.745 N/A ARG 323.A NE ASP 318.A OD2 no hydrogen 2.780 N/A ARG 323.A NH2 ASP 318.A OD1 no hydrogen 2.748 N/A ARG 323.A NH2 ASP 318.A OD2 no hydrogen 3.213 N/A LEU 324.A N ASP 320.A O no hydrogen 2.739 N/A THR 325.A N THR 321.A O no hydrogen 2.820 N/A THR 325.A OG1 THR 321.A O no hydrogen 2.777 N/A THR 325.A OG1 SER 322.A O no hydrogen 3.055 N/A ALA 326.A N SER 322.A O no hydrogen 2.645 N/A THR 327.A N ARG 323.A O no hydrogen 3.097 N/A THR 327.A OG1 ARG 323.A O no hydrogen 2.653 N/A GLU 329.A N THR 325.A O no hydrogen 3.245 N/A ALA 330.A N ALA 326.A O no hydrogen 3.062 N/A LEU 331.A N LEU 328.A O no hydrogen 2.789 N/A ILE 332.A N LEU 328.A O no hydrogen 3.314 N/A ILE 332.A N GLU 329.A O no hydrogen 3.217 N/A LEU 334.A N LEU 331.A O no hydrogen 2.593 N/A LEU 335.A N ILE 332.A O no hydrogen 2.958 N/A TYR 339.A N PRO 336.A O no hydrogen 3.137 N/A TYR 339.A OH ILE 282.A O no hydrogen 3.179 N/A TYR 339.A OH SER 284.A OG no hydrogen 2.346 N/A ALA 340.A N PRO 337.A O no hydrogen 3.205 N/A SER 341.A OG GLU 338.A O no hydrogen 3.541 N/A VAL 343.A N TYR 339.A O no hydrogen 3.200 N/A ILE 344.A N ALA 340.A O no hydrogen 3.124 N/A TRP 345.A N SER 341.A O no hydrogen 2.885 N/A ALA 346.A N GLY 342.A O no hydrogen 2.725 N/A GLN 347.A N VAL 343.A O no hydrogen 2.792 N/A GLN 347.A NE2 THR 325.A O no hydrogen 3.438 N/A GLN 347.A NE2 GLU 329.A OE1 no hydrogen 3.107 N/A SER 348.A N ILE 344.A O no hydrogen 2.749 N/A SER 348.A OG TRP 345.A O no hydrogen 2.368 N/A LYS 349.A N ALA 346.A O no hydrogen 2.972 N/A PHE 350.A N GLN 347.A O no hydrogen 3.192 N/A GLY 351.A N SER 348.A O no hydrogen 3.413 N/A