Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a0k_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ILE 18.A O no hydrogen 3.389 N/A LEU 6.A N SER 4.A OG no hydrogen 3.272 N/A HIS 7.A N SER 4.A O no hydrogen 3.258 N/A TYR 8.A N ILE 5.A O no hydrogen 2.915 N/A ILE 9.A N ILE 5.A O no hydrogen 3.010 N/A TYR 10.A N LEU 6.A O no hydrogen 3.038 N/A LYS 11.A N HIS 7.A O no hydrogen 3.203 N/A LYS 11.A NZ GLN 2.A OE1 no hydrogen 2.951 N/A SER 12.A N TYR 8.A O no hydrogen 2.981 N/A SER 12.A OG ILE 9.A O no hydrogen 2.835 N/A SER 13.A N ILE 9.A O no hydrogen 3.230 N/A SER 13.A OG TYR 10.A O no hydrogen 2.667 N/A LEU 14.A N TYR 10.A O no hydrogen 3.166 N/A LEU 14.A N LYS 11.A O no hydrogen 3.151 N/A GLY 15.A N SER 12.A O no hydrogen 3.304 N/A GLN 16.A N LYS 11.A O no hydrogen 2.728 N/A HIS 19.A ND1 SER 17.A O no hydrogen 3.057 N/A LEU 22.A N ILE 18.A O no hydrogen 3.067 N/A ARG 23.A N HIS 19.A O no hydrogen 2.568 N/A CYS 25.A N ARG 23.A O no hydrogen 2.588 N/A CYS 25.A SG THR 3.A O no hydrogen 2.793 N/A GLN 27.A N CYS 25.A O no hydrogen 2.301 N/A GLN 27.A NE2 ASP 310.A OD2 no hydrogen 3.361 N/A ILE 31.A N GLN 27.A O no hydrogen 3.358 N/A ARG 32.A N GLU 28.A O no hydrogen 2.981 N/A SER 33.A N PRO 29.A O no hydrogen 2.857 N/A SER 33.A OG PHE 30.A O no hydrogen 2.661 N/A LEU 34.A N PHE 30.A O no hydrogen 2.907 N/A LYS 35.A N ARG 32.A O no hydrogen 3.236 N/A SER 36.A N SER 33.A O no hydrogen 2.996 N/A TYR 37.A N LEU 34.A O no hydrogen 3.055 N/A LYS 38.A N ASN 353.A O no hydrogen 2.653 N/A HIS 40.A N ILE 351.A O no hydrogen 2.764 N/A HIS 40.A NE2 ASP 78.A OD1 no hydrogen 3.101 N/A ARG 41.A N ILE 351.A O no hydrogen 3.408 N/A ARG 41.A NH2 ASP 78.A OD1 no hydrogen 3.523 N/A ALA 43.A N ILE 349.A O no hydrogen 3.021 N/A ARG 49.A NE THR 275.A OG1 no hydrogen 3.355 N/A VAL 50.A N GLY 346.A O no hydrogen 2.892 N/A THR 51.A N GLY 66.A O no hydrogen 2.845 N/A THR 51.A OG1 ILE 95.A O no hydrogen 2.653 N/A GLU 54.A N ALA 64.A O no hydrogen 2.816 N/A TRP 55.A NE1 LYS 333.A O no hydrogen 2.947 N/A HIS 56.A N THR 62.A O no hydrogen 2.980 N/A THR 58.A N HIS 56.A ND1 no hydrogen 3.136 N/A HIS 59.A N HIS 56.A ND1 no hydrogen 3.002 N/A THR 61.A N HIS 59.A ND1 no hydrogen 3.447 N/A THR 61.A OG1 ASP 76.A OD1 no hydrogen 2.861 N/A THR 62.A N HIS 59.A O no hydrogen 3.275 N/A THR 62.A OG1 HIS 59.A ND1 no hydrogen 2.847 N/A VAL 63.A N TRP 75.A O no hydrogen 2.920 N/A ALA 64.A N GLU 54.A O no hydrogen 2.642 N/A VAL 65.A N ILE 73.A O no hydrogen 2.957 N/A GLY 66.A N SER 52.A O no hydrogen 2.976 N/A SER 67.A N ASP 71.A O no hydrogen 2.835 N/A LYS 68.A N ARG 49.A O no hydrogen 2.813 N/A GLY 69.A N SER 67.A OG no hydrogen 3.257 N/A GLY 70.A N SER 67.A O no hydrogen 2.995 N/A ASP 71.A N SER 67.A OG no hydrogen 3.218 N/A ILE 72.A N ILE 86.A O no hydrogen 3.037 N/A ILE 73.A N VAL 65.A O no hydrogen 2.918 N/A LEU 74.A N SER 84.A O no hydrogen 2.881 N/A TRP 75.A N VAL 63.A O no hydrogen 2.815 N/A ASP 76.A N LYS 82.A O no hydrogen 3.383 N/A TYR 77.A N THR 61.A O no hydrogen 3.076 N/A ASP 78.A N ASP 76.A OD1 no hydrogen 3.069 N/A LYS 82.A NZ ASP 76.A OD2 no hydrogen 3.081 N/A SER 84.A N LEU 74.A O no hydrogen 3.186 N/A ILE 86.A N ILE 72.A O no hydrogen 2.872 N/A GLY 88.A N ASP 71.A OD1 no hydrogen 3.093 N/A MET 89.A N ASP 93.A OD2 no hydrogen 2.812 N/A ILE 95.A N SER 67.A O no hydrogen 3.189 N/A THR 96.A N SER 111.A O no hydrogen 2.855 N/A THR 96.A OG1 SER 111.A O no hydrogen 2.923 N/A THR 96.A OG1 SER 111.A OG no hydrogen 2.561 N/A THR 96.A OG1 TYR 140.A O no hydrogen 3.058 N/A LYS 99.A N PHE 109.A O no hydrogen 2.992 N/A LYS 99.A NZ ASP 144.A OD1 no hydrogen 2.683 N/A ASN 101.A N GLN 107.A O no hydrogen 3.010 N/A ASN 101.A ND2 ASN 104.A O no hydrogen 3.455 N/A ASN 101.A ND2 GLN 107.A OE1 no hydrogen 3.479 N/A PHE 103.A N ASN 101.A OD1 no hydrogen 3.413 N/A ASN 106.A N ASN 104.A OD1 no hydrogen 3.208 N/A GLN 107.A N ASN 104.A O no hydrogen 3.109 N/A LEU 108.A N ARG 120.A O no hydrogen 3.091 N/A PHE 109.A N LYS 99.A O no hydrogen 2.711 N/A VAL 110.A N THR 118.A O no hydrogen 2.709 N/A SER 111.A N GLY 97.A O no hydrogen 3.110 N/A SER 111.A OG THR 96.A OG1 no hydrogen 2.561 N/A SER 112.A N ALA 116.A O no hydrogen 2.718 N/A SER 112.A OG ASP 93.A O no hydrogen 3.313 N/A SER 112.A OG ASP 93.A OD1 no hydrogen 2.487 N/A SER 112.A OG ALA 94.A O no hydrogen 3.543 N/A ILE 113.A N ALA 94.A O no hydrogen 3.055 N/A ARG 114.A N ASP 93.A OD1 no hydrogen 3.145 N/A ARG 114.A NH1 PRO 91.A O no hydrogen 2.750 N/A THR 118.A N VAL 110.A O no hydrogen 2.783 N/A THR 118.A OG1 GLY 115.A O no hydrogen 3.262 N/A LEU 119.A N GLN 128.A O no hydrogen 2.708 N/A ARG 120.A N LEU 108.A O no hydrogen 2.734 N/A ARG 120.A NH1 GLY 124.A O no hydrogen 2.681 N/A ARG 120.A NH1 SER 125.A O no hydrogen 3.509 N/A SER 123.A N ASP 121.A OD2 no hydrogen 3.404 N/A SER 123.A OG ASP 121.A OD2 no hydrogen 2.882 N/A GLY 124.A N ASP 121.A O no hydrogen 3.054 N/A ILE 127.A N LEU 119.A O no hydrogen 2.906 N/A GLN 128.A N LEU 119.A O no hydrogen 3.419 N/A GLN 128.A NE2 LEU 166.A O no hydrogen 3.022 N/A PHE 130.A N THR 117.A O no hydrogen 2.957 N/A ALA 131.A N THR 117.A O no hydrogen 3.315 N/A TYR 138.A N SER 135.A O no hydrogen 3.495 N/A TRP 139.A N SER 157.A OG no hydrogen 3.022 N/A CYS 141.A N GLY 155.A O no hydrogen 2.707 N/A CYS 141.A SG TRP 139.A O no hydrogen 3.794 N/A CYS 142.A SG VAL 181.A O no hydrogen 3.723 N/A ASP 144.A N ALA 153.A O no hydrogen 3.110 N/A VAL 145.A N ASP 144.A OD1 no hydrogen 2.858 N/A SER 146.A N MET 151.A O no hydrogen 2.838 N/A SER 146.A OG ASP 191.A OD1 no hydrogen 3.052 N/A SER 148.A OG SER 146.A OG no hydrogen 3.240 N/A SER 148.A OG ASP 191.A OD1 no hydrogen 2.363 N/A SER 148.A OG ASP 191.A OD2 no hydrogen 3.289 N/A ARG 149.A N SER 146.A OG no hydrogen 3.425 N/A GLN 150.A N VAL 147.A O no hydrogen 2.926 N/A MET 151.A N SER 146.A O no hydrogen 2.960 N/A LEU 152.A N LEU 164.A O no hydrogen 2.629 N/A ALA 153.A N ASP 144.A O no hydrogen 2.902 N/A THR 154.A N LEU 162.A O no hydrogen 2.860 N/A ASP 156.A N ARG 160.A O no hydrogen 3.014 N/A SER 157.A N TRP 139.A O no hydrogen 2.814 N/A SER 157.A OG TRP 139.A O no hydrogen 3.543 N/A THR 158.A N ASP 156.A OD1 no hydrogen 2.770 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.670 N/A GLY 159.A N ASP 156.A O no hydrogen 3.257 N/A GLY 159.A N ASP 156.A OD1 no hydrogen 3.198 N/A ARG 160.A N ASP 156.A OD1 no hydrogen 3.394 N/A LEU 161.A N GLU 174.A O no hydrogen 3.071 N/A LEU 162.A N THR 154.A O no hydrogen 2.642 N/A LEU 163.A N PHE 172.A O no hydrogen 2.669 N/A LEU 164.A N LEU 152.A O no hydrogen 3.068 N/A GLY 165.A N HIS 169.A O no hydrogen 3.081 N/A LEU 166.A N GLN 150.A O no hydrogen 3.091 N/A GLY 168.A N GLY 165.A O no hydrogen 3.053 N/A HIS 169.A N ASP 167.A OD1 no hydrogen 2.873 N/A ILE 171.A N LEU 163.A O no hydrogen 2.886 N/A PHE 172.A N LEU 163.A O no hydrogen 3.105 N/A GLU 174.A N LEU 161.A O no hydrogen 3.411 N/A LYS 175.A NZ THR 158.A O no hydrogen 3.209 N/A LYS 175.A NZ HIS 177.A O no hydrogen 3.384 N/A LEU 176.A N GLY 159.A O no hydrogen 2.965 N/A HIS 177.A N GLY 159.A O no hydrogen 2.897 N/A HIS 177.A ND1 ASP 200.A OD2 no hydrogen 2.816 N/A HIS 177.A NE2 THR 196.A OG1 no hydrogen 2.842 N/A LYS 178.A N ASP 200.A OD2 no hydrogen 3.049 N/A VAL 181.A N ASP 156.A O no hydrogen 3.082 N/A THR 182.A N SER 197.A O no hydrogen 2.799 N/A THR 182.A OG1 SER 197.A OG no hydrogen 2.655 N/A THR 182.A OG1 VAL 227.A O no hydrogen 2.586 N/A HIS 183.A NE2 GLU 185.A OE1 no hydrogen 3.303 N/A GLU 185.A N ALA 195.A O no hydrogen 2.794 N/A PHE 186.A N ASP 144.A OD2 no hydrogen 2.818 N/A ASN 187.A N LEU 193.A O no hydrogen 2.864 N/A ASN 187.A ND2 SER 237.A O no hydrogen 3.194 N/A ARG 189.A N ASN 187.A OD1 no hydrogen 2.909 N/A ARG 189.A NH1 PRO 234.A O no hydrogen 2.943 N/A ARG 189.A NH1 SER 237.A OG no hydrogen 2.670 N/A ARG 189.A NH2 PRO 234.A O no hydrogen 3.022 N/A CYS 190.A N ASN 187.A O no hydrogen 3.072 N/A LEU 193.A N CYS 190.A O no hydrogen 2.867 N/A MET 194.A N TRP 206.A O no hydrogen 2.971 N/A ALA 195.A N GLU 185.A O no hydrogen 2.861 N/A THR 196.A N LYS 204.A O no hydrogen 2.912 N/A THR 196.A OG1 HIS 177.A NE2 no hydrogen 2.842 N/A THR 196.A OG1 LYS 204.A O no hydrogen 3.415 N/A SER 197.A N HIS 183.A O no hydrogen 2.930 N/A SER 197.A OG THR 182.A OG1 no hydrogen 2.655 N/A SER 198.A N THR 202.A O no hydrogen 3.295 N/A SER 198.A OG ALA 179.A O no hydrogen 2.959 N/A SER 198.A OG LYS 180.A O no hydrogen 2.896 N/A VAL 199.A N LYS 180.A O no hydrogen 3.011 N/A ASP 200.A N SER 198.A OG no hydrogen 2.914 N/A ALA 201.A N SER 198.A O no hydrogen 3.200 N/A THR 202.A N ASP 200.A OD1 no hydrogen 3.048 N/A THR 202.A OG1 ASP 200.A OD1 no hydrogen 2.691 N/A VAL 203.A N MET 221.A O no hydrogen 2.985 N/A LYS 204.A N THR 196.A O no hydrogen 2.917 N/A LEU 205.A N ALA 219.A O no hydrogen 2.998 N/A TRP 206.A N MET 194.A O no hydrogen 2.766 N/A TRP 206.A NE1 THR 196.A OG1 no hydrogen 2.723 N/A LEU 208.A N TRP 192.A O no hydrogen 2.746 N/A ARG 209.A N ASP 207.A OD1 no hydrogen 3.262 N/A ARG 209.A NE ASP 207.A OD2 no hydrogen 3.094 N/A ARG 209.A NH2 ASP 207.A OD2 no hydrogen 3.406 N/A ASN 210.A N ASP 207.A O no hydrogen 3.052 N/A LYS 212.A N SER 216.A OG no hydrogen 3.341 N/A ASP 213.A N SER 216.A OG no hydrogen 3.238 N/A ASN 215.A N ASP 213.A OD1 no hydrogen 2.762 N/A SER 216.A N ASP 213.A O no hydrogen 3.136 N/A SER 216.A OG ASP 213.A O no hydrogen 2.636 N/A ILE 218.A N LEU 205.A O no hydrogen 2.732 N/A MET 221.A N VAL 203.A O no hydrogen 2.705 N/A HIS 223.A N ALA 201.A O no hydrogen 2.722 N/A HIS 223.A ND1 MET 221.A O no hydrogen 2.773 N/A VAL 227.A N SER 198.A O no hydrogen 3.127 N/A ASN 228.A N THR 243.A O no hydrogen 2.886 N/A ASN 228.A ND2 ILE 277.A O no hydrogen 3.065 N/A TYR 231.A N LEU 241.A O no hydrogen 2.996 N/A PHE 232.A N GLU 185.A OE2 no hydrogen 3.384 N/A ASN 233.A N LYS 239.A O no hydrogen 3.132 N/A ASN 233.A ND2 ASP 286.A OD1 no hydrogen 3.328 N/A ASP 236.A N ASN 233.A O no hydrogen 3.368 N/A SER 237.A N ASN 233.A O no hydrogen 2.859 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 3.489 N/A LYS 239.A N ASN 233.A OD1 no hydrogen 2.920 N/A LYS 239.A NZ SER 253.A OG no hydrogen 2.796 N/A LEU 240.A N TYR 252.A O no hydrogen 2.798 N/A LEU 241.A N TYR 231.A O no hydrogen 2.707 N/A THR 242.A N ARG 250.A O no hydrogen 2.760 N/A ASP 244.A N GLU 248.A O no hydrogen 3.011 N/A GLN 245.A NE2 ASN 228.A OD1 no hydrogen 2.914 N/A ARG 246.A N ASP 244.A OD1 no hydrogen 3.178 N/A ARG 246.A NH2 GLN 297.A OE1 no hydrogen 3.351 N/A GLU 248.A N ASP 244.A OD1 no hydrogen 2.769 N/A ILE 249.A N ILE 264.A O no hydrogen 2.933 N/A ARG 250.A N THR 242.A O no hydrogen 2.886 N/A ARG 250.A NE TYR 252.A OH no hydrogen 3.140 N/A ARG 250.A NH1 GLU 248.A OE1 no hydrogen 2.688 N/A ARG 250.A NH2 TYR 252.A OH no hydrogen 2.588 N/A VAL 251.A N GLN 262.A O no hydrogen 2.919 N/A TYR 252.A N LEU 240.A O no hydrogen 2.965 N/A SER 253.A OG ASP 261.A OD2 no hydrogen 2.692 N/A SER 254.A N THR 238.A O no hydrogen 2.664 N/A ASP 256.A N SER 253.A O no hydrogen 2.955 N/A SER 258.A N ASP 256.A OD1 no hydrogen 3.409 N/A SER 258.A OG ASP 256.A OD1 no hydrogen 2.751 N/A ASP 261.A N VAL 251.A O no hydrogen 2.735 N/A GLN 262.A N VAL 251.A O no hydrogen 3.136 N/A ILE 264.A N ILE 249.A O no hydrogen 2.712 N/A HIS 266.A N ASN 247.A O no hydrogen 2.940 N/A HIS 266.A ND1 HIS 268.A ND1 no hydrogen 2.915 N/A HIS 268.A N ARG 246.A O no hydrogen 2.946 N/A HIS 268.A ND1 HIS 266.A ND1 no hydrogen 2.915 N/A HIS 268.A NE2 ASP 244.A OD1 no hydrogen 2.982 N/A GLN 270.A N GLN 245.A O no hydrogen 2.897 N/A LEU 274.A N PHE 271.A O no hydrogen 2.766 N/A THR 275.A OG1 VAL 50.A O no hydrogen 2.709 N/A LYS 278.A NZ ASN 228.A O no hydrogen 3.150 N/A ALA 279.A N THR 243.A OG1 no hydrogen 2.927 N/A THR 280.A N VAL 289.A O no hydrogen 2.896 N/A THR 280.A OG1 ASN 332.A O no hydrogen 2.694 N/A TRP 281.A NE1 TYR 231.A O no hydrogen 2.937 N/A HIS 282.A N LEU 287.A O no hydrogen 2.894 N/A HIS 282.A NE2 GLY 338.A O no hydrogen 2.754 N/A MET 284.A N HIS 282.A ND1 no hydrogen 3.100 N/A TYR 285.A N HIS 282.A ND1 no hydrogen 3.327 N/A TYR 285.A OH LEU 26.A O no hydrogen 2.852 N/A LEU 287.A N TYR 285.A O no hydrogen 2.789 N/A ILE 288.A N TYR 309.A O no hydrogen 2.996 N/A VAL 289.A N THR 280.A O no hydrogen 2.871 N/A ALA 290.A N ASP 307.A O no hydrogen 3.015 N/A ARG 292.A N THR 305.A O no hydrogen 2.876 N/A ARG 292.A NE ASP 307.A OD2 no hydrogen 2.713 N/A ARG 292.A NH1 ASP 302.A OD1 no hydrogen 3.553 N/A ARG 292.A NH1 ASP 302.A OD2 no hydrogen 2.697 N/A ARG 292.A NH2 ASP 307.A OD2 no hydrogen 3.075 N/A TYR 293.A N PRO 267.A O no hydrogen 2.934 N/A GLN 297.A N ASP 295.A OD1 no hydrogen 2.822 N/A LEU 298.A N ASP 295.A O no hydrogen 3.072 N/A LEU 299.A N ASP 295.A O no hydrogen 2.850 N/A LYS 303.A N ASP 302.A OD1 no hydrogen 2.848 N/A LYS 303.A NZ ASN 301.A O no hydrogen 3.537 N/A ARG 304.A NH1 ALA 326.A O no hydrogen 3.183 N/A THR 305.A OG1 ASP 307.A OD1 no hydrogen 2.721 N/A THR 305.A OG1 GLN 319.A OE1 no hydrogen 3.460 N/A ILE 306.A N LEU 320.A O no hydrogen 3.009 N/A ASP 307.A N ALA 290.A O no hydrogen 2.823 N/A ILE 308.A N HIS 318.A O no hydrogen 3.035 N/A TYR 309.A N ILE 288.A O no hydrogen 2.896 N/A ASP 310.A N GLY 315.A O no hydrogen 2.933 N/A ALA 311.A N ASP 286.A O no hydrogen 3.018 N/A ASN 312.A N ASP 310.A OD1 no hydrogen 2.890 N/A SER 313.A N ASP 310.A OD1 no hydrogen 2.992 N/A GLY 314.A N ASP 310.A O no hydrogen 2.666 N/A VAL 317.A N ILE 308.A O no hydrogen 2.845 N/A LEU 320.A N ILE 306.A O no hydrogen 2.868 N/A ASN 324.A N ASP 322.A OD1 no hydrogen 2.810 N/A ALA 325.A N ASP 322.A O no hydrogen 2.883 N/A SER 330.A N GLY 344.A O no hydrogen 2.937 N/A SER 330.A OG THR 275.A O no hydrogen 2.674 N/A LEU 331.A N GLY 344.A O no hydrogen 3.238 N/A ASN 332.A ND2 ILE 329.A O no hydrogen 3.414 N/A LYS 333.A N ALA 342.A O no hydrogen 2.858 N/A LYS 333.A NZ LEU 53.A O no hydrogen 2.765 N/A LYS 333.A NZ GLU 54.A OE2 no hydrogen 2.938 N/A SER 335.A N VAL 340.A O no hydrogen 2.913 N/A GLY 338.A N SER 335.A O no hydrogen 2.777 N/A LEU 341.A N TRP 352.A O no hydrogen 3.245 N/A ALA 342.A N LYS 333.A O no hydrogen 2.853 N/A SER 343.A N LEU 350.A O no hydrogen 2.659 N/A SER 343.A OG ASN 332.A OD1 no hydrogen 2.699 N/A GLY 344.A N LEU 331.A O no hydrogen 2.824 N/A MET 345.A N ASN 348.A O no hydrogen 2.863 N/A ASN 348.A N MET 345.A O no hydrogen 2.707 N/A ASN 348.A ND2 MET 345.A O no hydrogen 3.140 N/A ILE 349.A N ALA 43.A O no hydrogen 2.741 N/A LEU 350.A N SER 343.A O no hydrogen 2.764 N/A ILE 351.A N ARG 41.A O no hydrogen 2.830 N/A TRP 352.A N LEU 341.A O no hydrogen 2.754 N/A TRP 352.A NE1 SER 343.A OG no hydrogen 2.992 N/A ASN 353.A N LYS 38.A O no hydrogen 2.717 N/A ASN 353.A ND2 ASP 339.A O no hydrogen 3.555 N/A