Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i0s_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N ASP 117.A OD1 no hydrogen 3.023 N/A LYS 9.A N ARG 79.A O no hydrogen 3.171 N/A VAL 17.A N ASN 53.A O no hydrogen 2.701 N/A GLN 19.A NE2 TRP 20.A O no hydrogen 3.210 N/A GLN 19.A NE2 VAL 56.A O no hydrogen 2.634 N/A ILE 27.A N THR 23.A O no hydrogen 3.141 N/A LYS 28.A N GLU 24.A O no hydrogen 3.053 N/A ALA 29.A N GLU 25.A O no hydrogen 3.009 N/A LEU 30.A N LYS 26.A O no hydrogen 2.982 N/A VAL 31.A N ILE 27.A O no hydrogen 2.796 N/A GLU 32.A N LYS 28.A O no hydrogen 3.074 N/A ILE 33.A N ALA 29.A O no hydrogen 3.144 N/A CYS 34.A N LEU 30.A O no hydrogen 2.931 N/A THR 35.A N VAL 31.A O no hydrogen 2.830 N/A THR 35.A OG1 VAL 31.A O no hydrogen 3.221 N/A GLU 36.A N GLU 32.A O no hydrogen 3.062 N/A MET 37.A N ILE 33.A O no hydrogen 3.066 N/A GLU 38.A N CYS 34.A O no hydrogen 3.183 N/A LYS 39.A N THR 35.A O no hydrogen 3.018 N/A GLU 40.A N GLU 36.A O no hydrogen 2.939 N/A GLY 41.A N GLU 38.A O no hydrogen 2.698 N/A LYS 42.A N MET 37.A O no hydrogen 2.723 N/A LYS 42.A NZ PHE 112.A O no hydrogen 2.390 N/A SER 44.A N GLN 141.A O no hydrogen 2.990 N/A SER 44.A OG ASN 143.A OD1 no hydrogen 2.680 N/A ILE 46.A N ARG 139.A O no hydrogen 3.203 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.440 N/A ASN 50.A N GLY 47.A O no hydrogen 2.941 N/A ASN 50.A ND2 LYS 122.A O no hydrogen 2.789 N/A ASN 50.A ND2 GLN 141.A OE1 no hydrogen 3.426 N/A TYR 52.A N ASN 50.A OD1 no hydrogen 2.820 N/A TYR 52.A OH ASP 13.A OD1 no hydrogen 2.392 N/A ASN 53.A N PRO 15.A O no hydrogen 2.877 N/A ASN 53.A ND2 VAL 17.A O no hydrogen 2.670 N/A VAL 56.A N GLN 19.A OE1 no hydrogen 2.708 N/A PHE 57.A N LEU 70.A O no hydrogen 2.843 N/A ILE 59.A N ARG 68.A O no hydrogen 2.809 N/A LYS 60.A NZ SER 64.A O no hydrogen 2.928 N/A LYS 60.A NZ THR 65.A O no hydrogen 2.807 N/A SER 64.A OG ASP 63.A O no hydrogen 2.873 N/A ARG 68.A N ILE 59.A O no hydrogen 2.688 N/A ARG 68.A NH1 LYS 69.A O no hydrogen 3.505 N/A LYS 69.A NZ TYR 142.A OH no hydrogen 2.834 N/A LEU 70.A N PHE 57.A O no hydrogen 2.739 N/A ASP 72.A N PRO 55.A O no hydrogen 2.851 N/A ARG 74.A N ASP 72.A OD2 no hydrogen 3.089 N/A ARG 74.A NE ASP 72.A OD2 no hydrogen 3.050 N/A ARG 74.A NH1 PRO 389.A O no hydrogen 2.598 N/A ARG 74.A NH2 ASP 72.A OD1 no hydrogen 3.282 N/A ASN 77.A N PHE 73.A O no hydrogen 2.762 N/A ASN 77.A ND2 GLY 148.A O no hydrogen 3.632 N/A LYS 78.A N ARG 74.A O no hydrogen 3.199 N/A LYS 78.A NZ GLU 390.A OE1 no hydrogen 2.909 N/A LYS 78.A NZ GLU 390.A OE2 no hydrogen 2.476 N/A ARG 79.A N GLU 75.A O no hydrogen 3.050 N/A ARG 79.A NE GLU 75.A OE2 no hydrogen 2.451 N/A ARG 79.A NH1 ASP 13.A O no hydrogen 2.773 N/A ARG 79.A NH2 GLU 75.A OE2 no hydrogen 2.930 N/A THR 80.A N ASN 77.A O no hydrogen 3.289 N/A THR 80.A OG1 LEU 76.A O no hydrogen 3.299 N/A GLN 81.A N LYS 78.A O no hydrogen 3.289 N/A GLN 81.A NE2 GLU 85.A OE2 no hydrogen 1.950 N/A PHE 83.A N THR 80.A O no hydrogen 2.713 N/A TRP 84.A NE1 ASN 77.A O no hydrogen 2.758 N/A GLU 85.A N GLN 81.A O no hydrogen 2.946 N/A VAL 86.A N ASP 82.A O no hydrogen 3.323 N/A LEU 88.A N PHE 83.A O no hydrogen 3.108 N/A LEU 96.A N PRO 93.A O no hydrogen 3.227 N/A LYS 97.A NZ ALA 94.A O no hydrogen 2.650 N/A LYS 98.A N GLY 95.A O no hydrogen 2.726 N/A LYS 99.A N LEU 96.A O no hydrogen 3.214 N/A LYS 99.A NZ ASP 173.A O no hydrogen 3.306 N/A LYS 100.A N ASP 188.A OD2 no hydrogen 3.159 N/A SER 101.A N SER 187.A O no hydrogen 3.166 N/A SER 101.A OG HIS 216.A ND1 no hydrogen 3.201 N/A VAL 102.A N LEU 215.A O no hydrogen 2.832 N/A THR 103.A N VAL 185.A O no hydrogen 2.641 N/A THR 103.A OG1 HIS 194.A NE2 no hydrogen 2.813 N/A VAL 104.A N TYR 213.A O no hydrogen 3.054 N/A LEU 105.A N LEU 183.A O no hydrogen 2.732 N/A VAL 107.A N ASP 181.A O no hydrogen 2.835 N/A GLY 108.A N ASP 106.A OD2 no hydrogen 3.280 N/A ALA 110.A N VAL 107.A O no hydrogen 3.226 N/A TYR 111.A N GLY 108.A O no hydrogen 3.138 N/A TYR 111.A OH GLN 178.A OE1 no hydrogen 3.036 N/A TYR 111.A OH MET 180.A O no hydrogen 2.791 N/A PHE 112.A N ASP 109.A O no hydrogen 3.302 N/A SER 113.A OG ALA 110.A O no hydrogen 3.455 N/A VAL 114.A N TYR 111.A O no hydrogen 3.240 N/A LEU 116.A N ASN 143.A O no hydrogen 2.605 N/A ASP 119.A N ASP 117.A OD2 no hydrogen 2.821 N/A PHE 120.A N ASP 117.A O no hydrogen 2.881 N/A ARG 121.A NE LEU 116.A O no hydrogen 2.653 N/A ARG 121.A NH2 LEU 116.A O no hydrogen 2.643 N/A TYR 123.A N PHE 120.A O no hydrogen 2.859 N/A THR 124.A N ARG 121.A O no hydrogen 3.003 N/A THR 124.A OG1 ARG 121.A O no hydrogen 2.803 N/A ALA 125.A N LYS 122.A O no hydrogen 3.244 N/A PHE 126.A N TYR 140.A O no hydrogen 2.930 N/A THR 127.A OG1 ASN 53.A OD1 no hydrogen 2.517 N/A ILE 128.A N ILE 138.A O no hydrogen 2.748 N/A SER 130.A OG THR 135.A O no hydrogen 2.892 N/A ASN 133.A N SER 130.A O no hydrogen 3.360 N/A GLU 134.A N ILE 131.A O no hydrogen 3.161 N/A THR 135.A N SER 130.A OG no hydrogen 3.167 N/A ILE 138.A N ILE 128.A O no hydrogen 3.043 N/A ARG 139.A NH1 TYR 52.A O no hydrogen 2.970 N/A ARG 139.A NH1 THR 127.A OG1 no hydrogen 3.143 N/A ARG 139.A NH2 ASN 50.A O no hydrogen 2.822 N/A ARG 139.A NH2 TYR 52.A O no hydrogen 3.088 N/A TYR 140.A N PHE 126.A O no hydrogen 2.971 N/A GLN 141.A N SER 44.A O no hydrogen 3.018 N/A TYR 142.A N THR 124.A OG1 no hydrogen 2.882 N/A ASN 143.A N LYS 42.A O no hydrogen 2.775 N/A LEU 145.A N VAL 114.A O no hydrogen 3.022 N/A GLY 148.A N ASP 181.A OD1 no hydrogen 3.133 N/A TRP 149.A N PRO 146.A O no hydrogen 3.503 N/A LYS 150.A N ASN 77.A OD1 no hydrogen 2.777 N/A SER 152.A N TRP 149.A O no hydrogen 2.909 N/A SER 152.A OG PRO 146.A O no hydrogen 2.576 N/A SER 152.A OG TRP 149.A O no hydrogen 3.522 N/A ILE 155.A N GLY 151.A O no hydrogen 2.897 N/A PHE 156.A N SER 152.A O no hydrogen 2.768 N/A GLN 157.A N ALA 154.A O no hydrogen 3.388 N/A GLN 157.A NE2 LEU 88.A O no hydrogen 3.055 N/A GLN 157.A NE2 ALA 154.A O no hydrogen 3.121 N/A MET 160.A N PHE 156.A O no hydrogen 2.954 N/A THR 161.A N GLN 157.A O no hydrogen 2.917 N/A LYS 162.A N SER 158.A O no hydrogen 3.116 N/A ILE 163.A N SER 159.A O no hydrogen 2.887 N/A LEU 164.A N MET 160.A O no hydrogen 2.913 N/A GLU 165.A N LYS 162.A O no hydrogen 3.234 N/A ARG 168.A N LEU 164.A O no hydrogen 2.776 N/A ARG 168.A NH2 ILE 176.A O no hydrogen 2.711 N/A LYS 169.A N GLU 165.A O no hydrogen 2.885 N/A GLN 170.A N PRO 166.A O no hydrogen 2.901 N/A ASN 171.A N ARG 168.A O no hydrogen 2.749 N/A ILE 174.A N ASN 171.A O no hydrogen 2.954 N/A VAL 175.A N GLY 186.A O no hydrogen 3.120 N/A TYR 177.A N TYR 184.A O no hydrogen 2.873 N/A TYR 179.A N ASP 182.A O no hydrogen 2.958 N/A ASP 182.A N TYR 179.A O no hydrogen 2.979 N/A LEU 183.A N LEU 105.A O no hydrogen 2.781 N/A TYR 184.A N TYR 177.A O no hydrogen 2.617 N/A VAL 185.A N THR 103.A O no hydrogen 2.889 N/A GLY 186.A N VAL 175.A O no hydrogen 3.022 N/A SER 187.A N SER 101.A O no hydrogen 2.850 N/A SER 187.A OG HIS 194.A ND1 no hydrogen 2.817 N/A LEU 189.A N SER 187.A OG no hydrogen 3.174 N/A GLY 192.A N GLU 190.A OE2 no hydrogen 3.013 N/A HIS 194.A N GLU 190.A O no hydrogen 2.888 N/A HIS 194.A ND1 SER 187.A OG no hydrogen 2.817 N/A HIS 194.A NE2 THR 103.A OG1 no hydrogen 2.813 N/A ARG 195.A N ILE 191.A O no hydrogen 2.797 N/A ARG 195.A NH1 GLU 214.A OE1 no hydrogen 2.730 N/A THR 196.A N GLY 192.A O no hydrogen 2.868 N/A THR 196.A OG1 GLY 192.A O no hydrogen 2.538 N/A LYS 197.A N GLN 193.A O no hydrogen 2.626 N/A LYS 197.A NZ GLU 200.A OE2 no hydrogen 3.565 N/A ILE 198.A N HIS 194.A O no hydrogen 2.878 N/A GLU 199.A N ARG 195.A O no hydrogen 3.097 N/A GLU 200.A N THR 196.A O no hydrogen 3.055 N/A LEU 201.A N LYS 197.A O no hydrogen 2.896 N/A ARG 202.A N ILE 198.A O no hydrogen 2.789 N/A ARG 202.A NH1 GLU 199.A OE1 no hydrogen 3.396 N/A GLN 203.A N GLU 199.A O no hydrogen 3.153 N/A GLN 203.A N GLU 200.A O no hydrogen 3.201 N/A GLN 203.A NE2 GLU 199.A OE2 no hydrogen 2.703 N/A LEU 205.A N LEU 201.A O no hydrogen 3.150 N/A LEU 206.A N ARG 202.A O no hydrogen 2.906 N/A ARG 207.A N GLN 203.A O no hydrogen 3.165 N/A ARG 207.A N HIS 204.A O no hydrogen 2.840 N/A ARG 207.A NH1 GLN 203.A OE1 no hydrogen 2.852 N/A TRP 208.A N LEU 205.A O no hydrogen 2.802 N/A GLY 209.A N LEU 206.A O no hydrogen 3.396 N/A THR 211.A OG1 GLY 209.A O no hydrogen 3.120 N/A LEU 215.A N VAL 102.A O no hydrogen 2.745 N/A HIS 216.A ND1 LYS 100.A O no hydrogen 3.058 N/A ASP 218.A N LYS 99.A O no hydrogen 3.394 N/A LYS 219.A N HIS 216.A O no hydrogen 3.348 N/A THR 234.A N ASP 237.A OD1 no hydrogen 2.800 N/A THR 234.A OG1 LEU 270.A O no hydrogen 2.888 N/A VAL 235.A N GLU 272.A O no hydrogen 3.021 N/A ASN 236.A N LEU 270.A O no hydrogen 3.155 N/A ILE 238.A N THR 234.A O no hydrogen 2.911 N/A GLN 239.A N VAL 235.A O no hydrogen 2.832 N/A LYS 240.A N ASN 236.A O no hydrogen 2.819 N/A LEU 241.A N ASP 237.A O no hydrogen 2.705 N/A VAL 242.A N ILE 238.A O no hydrogen 2.826 N/A GLY 243.A N GLN 239.A O no hydrogen 3.094 N/A LYS 244.A N LYS 240.A O no hydrogen 2.959 N/A LYS 244.A NZ VAL 226.A O no hydrogen 2.911 N/A LYS 244.A NZ LEU 402.A O no hydrogen 3.479 N/A LEU 245.A N LEU 241.A O no hydrogen 2.870 N/A ASN 246.A N VAL 242.A O no hydrogen 2.573 N/A TRP 247.A N GLY 243.A O no hydrogen 2.890 N/A ALA 248.A N LYS 244.A O no hydrogen 2.962 N/A SER 249.A OG ASN 246.A O no hydrogen 3.009 N/A TYR 252.A N ALA 248.A O no hydrogen 3.234 N/A GLN 259.A N GLU 283.A OE2 no hydrogen 3.184 N/A CYS 261.A N VAL 257.A O no hydrogen 2.515 N/A LYS 262.A N ARG 258.A O no hydrogen 2.941 N/A LEU 263.A N LEU 260.A O no hydrogen 3.348 N/A LEU 264.A N CYS 261.A O no hydrogen 2.861 N/A THR 267.A OG1 THR 267.A O no hydrogen 2.252 N/A ILE 274.A N TRP 233.A O no hydrogen 3.067 N/A GLU 279.A N GLU 279.A OE2 no hydrogen 2.047 N/A ALA 280.A N THR 277.A O no hydrogen 2.647 N/A GLU 283.A N GLU 279.A O no hydrogen 3.333 N/A LEU 284.A N ALA 280.A O no hydrogen 3.082 N/A ALA 285.A N GLU 281.A O no hydrogen 3.162 N/A GLU 286.A N LEU 282.A O no hydrogen 3.193 N/A ASN 287.A N GLU 283.A O no hydrogen 2.741 N/A ARG 288.A N LEU 284.A O no hydrogen 2.584 N/A ARG 288.A NH2 PRO 228.A O no hydrogen 3.502 N/A GLU 289.A N ALA 285.A O no hydrogen 2.333 N/A ILE 290.A N GLU 286.A O no hydrogen 2.301 N/A LEU 291.A N ASN 287.A O no hydrogen 2.403 N/A GLU 293.A N ILE 290.A O no hydrogen 2.514 N/A ASP 301.A N GLN 324.A OE1 no hydrogen 2.706 N/A SER 303.A N ASP 301.A OD1 no hydrogen 2.837 N/A SER 303.A OG ASP 301.A OD1 no hydrogen 2.920 N/A SER 303.A OG ASP 301.A OD2 no hydrogen 3.415 N/A LYS 304.A N ASP 301.A O no hydrogen 2.861 N/A LYS 304.A NZ GLU 325.A OE2 no hydrogen 2.983 N/A ILE 307.A N TYR 323.A O no hydrogen 2.833 N/A ALA 308.A N LYS 365.A O no hydrogen 3.023 N/A GLU 309.A N GLN 321.A O no hydrogen 2.897 N/A GLN 311.A N THR 319.A O no hydrogen 2.799 N/A GLN 311.A NE2 GLN 321.A OE1 no hydrogen 2.597 N/A LYS 312.A NZ ASP 341.A OD2 no hydrogen 2.587 N/A GLN 313.A N GLN 317.A O no hydrogen 2.835 N/A GLN 313.A NE2 THR 319.A OG1 no hydrogen 3.163 N/A GLN 313.A NE2 LYS 401.A O no hydrogen 2.769 N/A GLN 317.A N GLY 314.A O no hydrogen 2.780 N/A TRP 318.A N TYR 335.A O no hydrogen 2.964 N/A THR 319.A N GLN 311.A O no hydrogen 2.982 N/A THR 319.A OG1 GLN 311.A OE1 no hydrogen 2.204 N/A TYR 320.A N GLY 333.A O no hydrogen 3.037 N/A GLN 321.A N GLU 309.A O no hydrogen 2.975 N/A GLN 321.A NE2 GLN 311.A OE1 no hydrogen 2.785 N/A ILE 322.A N LYS 331.A O no hydrogen 2.789 N/A TYR 323.A N ILE 307.A O no hydrogen 2.922 N/A TYR 323.A OH GLU 309.A OE2 no hydrogen 2.494 N/A GLN 324.A NE2 ASP 301.A O no hydrogen 2.699 N/A GLN 324.A NE2 LYS 304.A O no hydrogen 2.673 N/A GLN 324.A NE2 ASP 305.A O no hydrogen 3.357 N/A LYS 328.A N GLU 325.A O no hydrogen 2.763 N/A ASN 329.A ND2 TYR 404.A OH no hydrogen 3.371 N/A LEU 330.A N ILE 322.A O no hydrogen 2.796 N/A LYS 331.A N ILE 322.A O no hydrogen 3.305 N/A LYS 331.A NZ TYR 320.A OH no hydrogen 3.470 N/A THR 332.A OG1 GLN 223.A O no hydrogen 3.411 N/A GLY 333.A N TYR 320.A O no hydrogen 3.032 N/A TYR 335.A N TRP 318.A O no hydrogen 2.747 N/A TYR 335.A OH GLU 347.A OE2 no hydrogen 2.692 N/A ARG 337.A N GLY 316.A O no hydrogen 3.082 N/A ASN 340.A ND2 TYR 382.A OH no hydrogen 3.100 N/A LYS 343.A N ASN 340.A OD1 no hydrogen 2.536 N/A LYS 343.A NZ GLU 347.A OE1 no hydrogen 3.111 N/A GLN 344.A N ASN 340.A O no hydrogen 3.318 N/A LEU 345.A N ASP 341.A O no hydrogen 3.061 N/A THR 346.A N VAL 342.A O no hydrogen 2.926 N/A THR 346.A OG1 VAL 342.A O no hydrogen 2.889 N/A GLU 347.A N LYS 343.A O no hydrogen 3.105 N/A ALA 348.A N GLN 344.A O no hydrogen 2.870 N/A VAL 349.A N LEU 345.A O no hydrogen 2.865 N/A GLN 350.A N THR 346.A O no hydrogen 3.135 N/A LYS 351.A N GLU 347.A O no hydrogen 2.898 N/A LYS 351.A NZ LYS 334.A O no hydrogen 2.831 N/A ILE 352.A N ALA 348.A O no hydrogen 2.825 N/A THR 353.A N VAL 349.A O no hydrogen 3.011 N/A THR 353.A OG1 VAL 349.A O no hydrogen 2.694 N/A THR 354.A N GLN 350.A O no hydrogen 2.966 N/A GLU 355.A N LYS 351.A O no hydrogen 2.991 N/A SER 356.A N ILE 352.A O no hydrogen 2.817 N/A SER 356.A OG LYS 362.A O no hydrogen 2.597 N/A ILE 357.A N THR 353.A O no hydrogen 2.649 N/A VAL 358.A N THR 354.A O no hydrogen 3.009 N/A ILE 359.A N GLU 355.A O no hydrogen 2.974 N/A TRP 360.A N SER 356.A O no hydrogen 2.977 N/A GLY 361.A N SER 356.A O no hydrogen 3.349 N/A GLY 361.A N ILE 357.A O no hydrogen 2.818 N/A LYS 362.A NZ TYR 300.A OH no hydrogen 3.155 N/A LYS 362.A NZ PRO 302.A O no hydrogen 3.458 N/A LYS 362.A NZ LYS 304.A O no hydrogen 2.675 N/A LYS 365.A N LEU 306.A O no hydrogen 2.612 N/A PHE 366.A N GLU 390.A O no hydrogen 2.797 N/A LYS 367.A N ALA 308.A O no hydrogen 2.885 N/A LEU 368.A N GLU 392.A O no hydrogen 2.929 N/A ILE 370.A N LEU 368.A O no hydrogen 2.905 N/A LYS 372.A NZ GLU 376.A OE1 no hydrogen 2.774 N/A LYS 372.A NZ GLU 376.A OE2 no hydrogen 3.455 N/A GLU 373.A N GLU 373.A OE2 no hydrogen 2.628 N/A THR 374.A N GLN 371.A O no hydrogen 2.726 N/A TRP 375.A N GLN 371.A O no hydrogen 3.065 N/A GLU 376.A N LYS 372.A O no hydrogen 2.765 N/A THR 377.A N GLU 373.A O no hydrogen 2.928 N/A TRP 378.A N THR 374.A O no hydrogen 2.962 N/A TRP 378.A N TRP 375.A O no hydrogen 2.984 N/A TRP 379.A N TRP 375.A O no hydrogen 2.882 N/A GLU 381.A N TRP 378.A O no hydrogen 2.853 N/A TYR 382.A N TRP 379.A O no hydrogen 3.065 N/A TRP 383.A N TRP 379.A O no hydrogen 2.821 N/A TRP 383.A NE1 TRP 387.A O no hydrogen 2.914 N/A THR 386.A OG1 ASP 182.A OD2 no hydrogen 3.523 N/A GLU 392.A N PHE 366.A O no hydrogen 2.661 N/A VAL 394.A N LEU 368.A O no hydrogen 2.863 N/A LEU 402.A N LEU 399.A O no hydrogen 2.892 N/A TRP 403.A N LEU 399.A O no hydrogen 2.902 N/A GLN 405.A N LEU 402.A O no hydrogen 2.767 N/A GLN 405.A NE2 GLN 405.A O no hydrogen 2.953 N/A