Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k3p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 57.A O no hydrogen 3.473 N/A LYS 2.A N GLU 56.A O no hydrogen 3.163 N/A PHE 3.A N VAL 82.A O no hydrogen 3.007 N/A VAL 5.A N ILE 80.A O no hydrogen 3.179 N/A ARG 7.A N ALA 78.A O no hydrogen 2.635 N/A ARG 7.A NE CYS 71.A O no hydrogen 2.996 N/A ARG 7.A NE ARG 72.A O no hydrogen 3.413 N/A ARG 7.A NH1 GLU 8.A OE2 no hydrogen 2.881 N/A ARG 7.A NH2 ARG 72.A O no hydrogen 2.706 N/A HIS 9.A N GLU 6.A O no hydrogen 3.041 N/A LEU 10.A N ARG 7.A O no hydrogen 2.919 N/A LEU 11.A N ARG 7.A O no hydrogen 3.017 N/A LEU 14.A N LEU 10.A O no hydrogen 2.966 N/A GLN 15.A N LEU 11.A O no hydrogen 2.809 N/A GLN 16.A N LYS 12.A O no hydrogen 3.037 N/A GLN 16.A NE2 ARG 197.A O no hydrogen 3.489 N/A VAL 17.A N PRO 13.A O no hydrogen 3.110 N/A SER 18.A N LEU 14.A O no hydrogen 3.006 N/A SER 18.A N GLN 15.A O no hydrogen 3.299 N/A SER 18.A OG LEU 14.A O no hydrogen 2.801 N/A GLY 19.A N GLN 15.A O no hydrogen 3.417 N/A GLY 23.A N PRO 20.A O no hydrogen 2.746 N/A ASN 24.A N ILE 21.A O no hydrogen 3.047 N/A LEU 25.A N VAL 62.A O no hydrogen 2.714 N/A LEU 26.A N THR 37.A O no hydrogen 3.062 N/A LEU 27.A N THR 60.A O no hydrogen 2.775 N/A GLN 28.A N SER 35.A O no hydrogen 2.996 N/A VAL 29.A N GLY 58.A O no hydrogen 2.829 N/A ALA 30.A N THR 33.A O no hydrogen 3.000 N/A THR 33.A N ALA 30.A O no hydrogen 2.983 N/A LEU 34.A N VAL 49.A O no hydrogen 2.840 N/A SER 35.A N GLN 28.A O no hydrogen 2.799 N/A LEU 36.A N ALA 47.A O no hydrogen 2.980 N/A THR 37.A N LEU 26.A O no hydrogen 3.044 N/A GLY 38.A N MET 45.A O no hydrogen 3.140 N/A THR 39.A OG1 MET 43.A O no hydrogen 2.711 N/A ASP 40.A N MET 43.A O no hydrogen 3.236 N/A LEU 41.A N THR 39.A OG1 no hydrogen 3.110 N/A GLU 42.A N ASP 40.A OD1 no hydrogen 2.835 N/A MET 43.A N ASP 40.A OD1 no hydrogen 2.883 N/A GLU 44.A N THR 225.A O no hydrogen 2.754 N/A MET 45.A N GLY 38.A O no hydrogen 3.033 N/A VAL 46.A N ILE 223.A O no hydrogen 2.755 N/A ALA 47.A N LEU 36.A O no hydrogen 2.946 N/A ARG 48.A N ASP 221.A O no hydrogen 2.715 N/A ARG 48.A NE.B SER 35.A OG no hydrogen 3.225 N/A ARG 48.A NH2.B SER 35.A OG no hydrogen 2.930 N/A VAL 49.A N LEU 34.A O no hydrogen 2.788 N/A LEU 51.A N GLY 32.A O no hydrogen 3.119 N/A HIS 55.A ND1 GLN 53.A O no hydrogen 2.854 N/A GLU 56.A N LYS 2.A O no hydrogen 2.848 N/A GLY 58.A N VAL 29.A O no hydrogen 3.080 N/A THR 60.A N LEU 27.A O no hydrogen 2.986 N/A VAL 62.A N LEU 25.A O no hydrogen 2.957 N/A ALA 64.A N GLY 23.A O no hydrogen 2.846 N/A PHE 67.A N PRO 63.A O no hydrogen 3.214 N/A PHE 68.A N ALA 64.A O no hydrogen 3.013 N/A ASP 69.A N ARG 65.A O no hydrogen 2.751 N/A ILE 70.A N LYS 66.A O no hydrogen 2.876 N/A CYS 71.A N PHE 67.A O no hydrogen 3.171 N/A CYS 71.A SG PHE 67.A O no hydrogen 3.385 N/A ARG 72.A N PHE 68.A O no hydrogen 2.976 N/A ARG 72.A NH2 ASP 69.A OD1 no hydrogen 2.789 N/A GLY 73.A N ASP 69.A O no hydrogen 2.756 N/A LEU 74.A N CYS 71.A O no hydrogen 3.111 N/A GLY 77.A N GLU 8.A OE1 no hydrogen 3.186 N/A GLY 77.A N GLU 8.A OE2 no hydrogen 3.115 N/A ALA 78.A N PRO 75.A O no hydrogen 2.940 N/A ILE 80.A N VAL 5.A O no hydrogen 2.807 N/A ALA 81.A N ARG 92.A O no hydrogen 2.820 N/A VAL 82.A N PHE 3.A O no hydrogen 2.830 N/A GLN 83.A N LEU 90.A O no hydrogen 2.961 N/A LEU 84.A N MET 1.A O no hydrogen 3.033 N/A GLU 85.A N ARG 88.A O no hydrogen 2.794 N/A ARG 88.A N GLU 85.A O no hydrogen 3.160 N/A MET 89.A N LEU 100.A O no hydrogen 2.927 N/A LEU 90.A N GLN 83.A O no hydrogen 2.773 N/A VAL 91.A N PHE 98.A O no hydrogen 2.734 N/A ARG 92.A N ALA 81.A O no hydrogen 2.738 N/A SER 93.A N SER 96.A O no hydrogen 2.993 N/A SER 93.A OG GLU 79.A O no hydrogen 2.844 N/A SER 96.A N SER 93.A O no hydrogen 2.818 N/A PHE 98.A N VAL 91.A O no hydrogen 2.792 N/A LEU 100.A N MET 89.A O no hydrogen 2.905 N/A THR 102.A OG1 GLU 87.A O no hydrogen 2.719 N/A LEU 103.A N THR 61.A O no hydrogen 3.050 N/A ASP 107.A N PRO 104.A O no hydrogen 2.959 N/A PHE 108.A N ALA 105.A O no hydrogen 2.946 N/A ASN 110.A ND2 PHE 108.A O no hydrogen 3.519 N/A SER 116.A OG GLU 119.A OE2 no hydrogen 2.798 N/A GLU 117.A N ILE 210.A O no hydrogen 2.738 N/A VAL 118.A N ILE 210.A O no hydrogen 3.089 N/A PHE 120.A N VAL 208.A O no hydrogen 3.188 N/A THR 121.A N GLN 178.A OE1 no hydrogen 3.226 N/A LEU 122.A N LEU 206.A O no hydrogen 3.204 N/A GLN 124.A NE2 ASN 204.A O no hydrogen 3.488 N/A THR 126.A N PRO 123.A O no hydrogen 3.236 N/A LYS 128.A N GLN 124.A O no hydrogen 3.092 N/A ARG 129.A N ALA 125.A O no hydrogen 2.980 N/A LEU 130.A N THR 126.A O no hydrogen 2.906 N/A ILE 131.A N MET 127.A O no hydrogen 3.093 N/A GLU 132.A N LYS 128.A O no hydrogen 3.016 N/A ALA 133.A N ARG 129.A O no hydrogen 3.028 N/A THR 134.A N ILE 131.A O no hydrogen 3.086 N/A THR 134.A OG1 LEU 130.A O no hydrogen 3.210 N/A THR 134.A OG1 ILE 131.A O no hydrogen 3.504 N/A GLN 135.A N ILE 131.A O no hydrogen 2.773 N/A SER 137.A N THR 134.A O no hydrogen 2.901 N/A MET 138.A N GLN 135.A O no hydrogen 3.192 N/A ALA 139.A N LEU 147.A O no hydrogen 2.999 N/A ASP 142.A N ASN 148.A OD1 no hydrogen 2.929 N/A ARG 144.A N ASP 142.A OD1 no hydrogen 2.749 N/A ARG 144.A NH1 ASP 142.A OD1 no hydrogen 3.185 N/A ARG 144.A NH1 ASP 142.A OD2 no hydrogen 2.744 N/A LEU 147.A N ARG 144.A O no hydrogen 2.882 N/A ASN 148.A N TYR 145.A O no hydrogen 3.075 N/A ASN 148.A ND2 ASP 142.A O no hydrogen 2.769 N/A MET 150.A N VAL 187.A O no hydrogen 2.851 N/A LEU 151.A N VAL 162.A O no hydrogen 2.841 N/A PHE 152.A N VAL 185.A O no hydrogen 2.761 N/A GLU 153.A N ARG 160.A O no hydrogen 2.719 N/A THR 154.A N HIS 183.A O no hydrogen 2.783 N/A THR 154.A OG1 PRO 181.A O no hydrogen 2.517 N/A THR 154.A OG1 HIS 183.A O no hydrogen 3.522 N/A GLU 155.A N GLU 158.A O no hydrogen 3.031 N/A GLU 158.A N GLU 155.A O no hydrogen 2.997 N/A LEU 159.A N MET 174.A O no hydrogen 3.128 N/A ARG 160.A N GLU 153.A O no hydrogen 2.704 N/A ARG 160.A NE SER 173.A OG no hydrogen 2.752 N/A ARG 160.A NH1 GLU 153.A OE1 no hydrogen 3.103 N/A ARG 160.A NH1 GLU 155.A OE1 no hydrogen 2.856 N/A ARG 160.A NH2 GLU 155.A OE1 no hydrogen 3.083 N/A THR 161.A N CYS 172.A O no hydrogen 2.887 N/A THR 161.A OG1 LEU 130.A O no hydrogen 2.707 N/A VAL 162.A N LEU 151.A O no hydrogen 2.944 N/A ALA 163.A N ALA 170.A O no hydrogen 2.909 N/A THR 164.A OG1 ARG 168.A O no hydrogen 2.539 N/A ASP 165.A N ARG 168.A O no hydrogen 3.241 N/A GLY 166.A N THR 164.A OG1 no hydrogen 3.183 N/A HIS 167.A N ASP 165.A OD1 no hydrogen 2.818 N/A ARG 168.A N ASP 165.A OD1 no hydrogen 2.965 N/A ARG 168.A NE ASP 165.A OD2 no hydrogen 2.987 N/A ARG 168.A NH1 ASP 318.A OD2 no hydrogen 2.897 N/A ARG 168.A NH2 ASP 318.A OD2 no hydrogen 3.459 N/A LEU 169.A N VAL 352.A O no hydrogen 2.670 N/A ALA 170.A N ALA 163.A O no hydrogen 2.745 N/A VAL 171.A N ALA 350.A O no hydrogen 3.121 N/A CYS 172.A N THR 161.A O no hydrogen 2.901 N/A CYS 172.A SG SER 348.A O no hydrogen 3.471 N/A SER 173.A N SER 348.A O no hydrogen 2.931 N/A MET 174.A N LEU 159.A O no hydrogen 3.099 N/A ILE 176.A N GLU 157.A O no hydrogen 2.866 N/A GLN 178.A NE2 THR 121.A O no hydrogen 2.488 N/A GLN 178.A NE2 ILE 176.A O no hydrogen 3.396 N/A LEU 180.A N GLY 156.A O no hydrogen 2.824 N/A HIS 183.A N THR 154.A O no hydrogen 3.088 N/A VAL 185.A N PHE 152.A O no hydrogen 2.997 N/A VAL 187.A N MET 150.A O no hydrogen 2.867 N/A ARG 189.A N ASN 148.A O no hydrogen 3.344 N/A ARG 189.A NH1 ALA 139.A O no hydrogen 3.085 N/A VAL 192.A N PRO 188.A O no hydrogen 3.129 N/A ILE 193.A N ARG 189.A O no hydrogen 2.811 N/A GLU 194.A N LYS 190.A O no hydrogen 3.120 N/A LEU 195.A N GLY 191.A O no hydrogen 2.752 N/A MET 196.A N VAL 192.A O no hydrogen 2.970 N/A ARG 197.A N ILE 193.A O no hydrogen 3.016 N/A ARG 197.A NE GLU 194.A OE2 no hydrogen 3.042 N/A ARG 197.A NH2 GLU 194.A OE1 no hydrogen 3.216 N/A ARG 197.A NH2 GLU 194.A OE2 no hydrogen 2.747 N/A MET 198.A N GLU 194.A O no hydrogen 3.156 N/A LEU 199.A N MET 196.A O no hydrogen 3.382 N/A GLY 201.A N GLN 124.A OE1 no hydrogen 2.329 N/A LEU 206.A N LEU 122.A O no hydrogen 3.012 N/A ARG 207.A N HIS 218.A O no hydrogen 2.666 N/A ARG 207.A NH1 THR 121.A OG1 no hydrogen 2.779 N/A ARG 207.A NH2 GLU 119.A OE1 no hydrogen 2.804 N/A VAL 208.A N PHE 120.A O no hydrogen 2.963 N/A GLN 209.A N ARG 216.A O no hydrogen 2.788 N/A GLN 209.A NE2 GLU 119.A OE2 no hydrogen 3.364 N/A ILE 210.A N VAL 118.A O no hydrogen 2.773 N/A GLY 211.A N ASN 214.A O no hydrogen 2.632 N/A SER 212.A OG ASN 213.A OD1 no hydrogen 3.208 N/A ILE 215.A N SER 226.A O no hydrogen 2.916 N/A ARG 216.A N GLN 209.A O no hydrogen 2.784 N/A ARG 216.A NE THR 225.A OG1 no hydrogen 2.682 N/A ARG 216.A NH2 THR 225.A OG1 no hydrogen 3.015 N/A ALA 217.A N PHE 224.A O no hydrogen 2.861 N/A HIS 218.A N ARG 207.A O no hydrogen 2.749 N/A HIS 218.A NE2.A GLN 209.A OE1 no hydrogen 2.425 N/A VAL 219.A N PHE 222.A O no hydrogen 3.205 N/A PHE 222.A N VAL 219.A O no hydrogen 3.086 N/A ILE 223.A N VAL 46.A O no hydrogen 2.735 N/A PHE 224.A N ALA 217.A O no hydrogen 3.037 N/A THR 225.A N GLU 44.A O no hydrogen 2.799 N/A SER 226.A N ILE 215.A O no hydrogen 2.888 N/A SER 226.A OG LYS 227.A O no hydrogen 2.983 N/A LYS 227.A N GLU 42.A O no hydrogen 3.087 N/A LEU 228.A N ASN 213.A O no hydrogen 3.149 N/A VAL 229.A N ILE 186.A O no hydrogen 2.840 N/A ARG 237.A N ASP 235.A OD1 no hydrogen 3.073 N/A ARG 237.A NE.A ASP 235.A OD1 no hydrogen 2.756 N/A ARG 237.A NE.A ASP 235.A OD2 no hydrogen 3.143 N/A ARG 237.A NE.B ASP 235.A OD1 no hydrogen 3.050 N/A ARG 237.A NH1.B GLU 155.A OE1 no hydrogen 3.238 N/A ARG 237.A NH2.A ASP 235.A OD2 no hydrogen 3.032 N/A ARG 237.A NH2.B GLU 153.A OE2 no hydrogen 3.006 N/A ARG 238.A N ASP 235.A O no hydrogen 2.996 N/A VAL 239.A N TYR 236.A O no hydrogen 3.099 N/A LEU 240.A N TYR 236.A O no hydrogen 3.145 N/A LYS 246.A NZ ASP 245.A OD1 no hydrogen 3.523 N/A LYS 246.A NZ ASP 245.A OD2 no hydrogen 2.668 N/A LYS 246.A NZ THR 333.A O no hydrogen 2.705 N/A LEU 248.A N MET 330.A O no hydrogen 2.773 N/A GLU 249.A N THR 301.A O no hydrogen 2.902 N/A ALA 250.A N VAL 328.A O no hydrogen 3.117 N/A CYS 252.A N GLU 326.A O no hydrogen 2.936 N/A CYS 252.A SG LEU 320.A O no hydrogen 3.277 N/A CYS 252.A SG LEU 323.A O no hydrogen 3.378 N/A LEU 255.A N GLY 251.A O no hydrogen 3.117 N/A LYS 256.A N CYS 252.A O no hydrogen 2.903 N/A GLN 257.A N ASP 253.A O no hydrogen 2.909 N/A ALA 258.A N LEU 254.A O no hydrogen 2.958 N/A PHE 259.A N LEU 255.A O no hydrogen 2.903 N/A ALA 260.A N LYS 256.A O no hydrogen 2.785 N/A ARG 261.A N GLN 257.A O no hydrogen 2.979 N/A ARG 261.A NE GLU 296.A OE2 no hydrogen 2.789 N/A ARG 261.A NH2 GLU 296.A OE1 no hydrogen 2.804 N/A ALA 262.A N ALA 258.A O no hydrogen 3.079 N/A ALA 263.A N PHE 259.A O no hydrogen 2.778 N/A ILE 264.A N ARG 261.A O no hydrogen 3.116 N/A LEU 265.A N ALA 262.A O no hydrogen 3.109 N/A SER 266.A N ALA 263.A O no hydrogen 3.193 N/A SER 266.A OG ALA 263.A O no hydrogen 2.924 N/A SER 266.A OG ASN 267.A O no hydrogen 3.536 N/A LYS 269.A N ASN 267.A OD1 no hydrogen 2.847 N/A PHE 270.A N ASN 267.A OD1 no hydrogen 2.976 N/A ARG 271.A N ASN 267.A O no hydrogen 2.785 N/A ARG 271.A NH1 SER 314.A OG.B no hydrogen 2.674 N/A VAL 273.A N PHE 311.A O no hydrogen 2.745 N/A ARG 274.A N THR 285.A O no hydrogen 2.958 N/A ARG 274.A NH1.B ASN 287.A OD1 no hydrogen 3.335 N/A LEU 275.A N ILE 309.A O no hydrogen 2.687 N/A TYR 276.A N LYS 283.A O no hydrogen 2.803 N/A TYR 276.A OH GLU 308.A OE2 no hydrogen 2.966 N/A VAL 277.A N MET 307.A O no hydrogen 2.804 N/A SER 278.A N GLN 281.A O no hydrogen 3.124 N/A ASN 280.A N TYR 302.A O no hydrogen 3.007 N/A GLN 281.A N SER 278.A O no hydrogen 2.910 N/A LEU 282.A N LEU 298.A O no hydrogen 3.034 N/A LYS 283.A N TYR 276.A O no hydrogen 2.941 N/A ILE 284.A N GLU 296.A O no hydrogen 2.820 N/A THR 285.A N ARG 274.A O no hydrogen 3.021 N/A ALA 286.A N ALA 294.A O no hydrogen 3.201 N/A ASN 288.A ND2 GLU 292.A OE1 no hydrogen 3.229 N/A GLU 290.A N ASN 288.A OD1 no hydrogen 3.220 N/A GLN 291.A N ASN 288.A O no hydrogen 2.795 N/A GLU 292.A N ASN 288.A OD1 no hydrogen 3.165 N/A ALA 294.A N ALA 286.A O no hydrogen 3.032 N/A GLU 296.A N ILE 284.A O no hydrogen 2.847 N/A LEU 298.A N LEU 282.A O no hydrogen 2.846 N/A VAL 300.A N ASN 280.A O no hydrogen 3.374 N/A THR 301.A N GLU 249.A O no hydrogen 2.898 N/A TYR 302.A N ASN 280.A OD1 no hydrogen 3.159 N/A TYR 302.A OH ALA 305.A O no hydrogen 2.360 N/A MET 307.A N VAL 277.A O no hydrogen 3.043 N/A ILE 309.A N LEU 275.A O no hydrogen 2.888 N/A PHE 311.A N VAL 273.A O no hydrogen 2.864 N/A VAL 313.A N ARG 271.A O no hydrogen 2.903 N/A SER 314.A N ASN 312.A OD1 no hydrogen 2.972 N/A SER 314.A OG.A ASN 312.A OD1 no hydrogen 2.620 N/A TYR 315.A N ASN 312.A O no hydrogen 3.070 N/A TYR 315.A N ASN 312.A OD1 no hydrogen 3.257 N/A VAL 316.A N ASN 312.A O no hydrogen 3.455 N/A LEU 317.A N VAL 313.A O no hydrogen 2.803 N/A ASP 318.A N SER 314.A O no hydrogen 2.983 N/A VAL 319.A N TYR 315.A O no hydrogen 3.315 N/A LEU 320.A N VAL 316.A O no hydrogen 3.046 N/A ASN 321.A N LEU 317.A O no hydrogen 2.925 N/A ALA 322.A N ASP 318.A O no hydrogen 3.145 N/A ALA 322.A N VAL 319.A O no hydrogen 3.106 N/A LEU 323.A N LEU 320.A O no hydrogen 3.111 N/A LYS 324.A NZ ASN 321.A O no hydrogen 3.569 N/A CYS 325.A SG ASN 327.A O no hydrogen 3.708 N/A VAL 328.A N ALA 250.A O no hydrogen 2.726 N/A ARG 329.A N GLU 342.A O no hydrogen 2.857 N/A ARG 329.A NE GLU 249.A OE2.A no hydrogen 2.961 N/A ARG 329.A NH2 GLU 249.A OE2.A no hydrogen 2.800 N/A ARG 329.A NH2 ALA 344.A O no hydrogen 3.374 N/A MET 330.A N LEU 248.A O no hydrogen 2.754 N/A MET 331.A N GLN 340.A O no hydrogen 2.785 N/A LEU 332.A N LYS 246.A O no hydrogen 2.864 N/A VAL 336.A N ASP 334.A OD1 no hydrogen 3.279 N/A SER 337.A N ASP 334.A O no hydrogen 3.102 N/A SER 337.A OG ASP 334.A OD1 no hydrogen 2.358 N/A SER 338.A OG VAL 239.A O no hydrogen 3.335 N/A VAL 339.A N VAL 353.A O no hydrogen 2.961 N/A GLN 340.A N MET 331.A O no hydrogen 3.012 N/A GLN 340.A NE2 GLU 342.A OE2 no hydrogen 2.686 N/A ILE 341.A N TYR 351.A O no hydrogen 2.676 N/A GLU 342.A N ARG 329.A O no hydrogen 2.818 N/A ALA 344.A N ASN 327.A O no hydrogen 2.856 N/A ALA 345.A N ASP 343.A OD1 no hydrogen 2.986 N/A SER 346.A N ASP 343.A O no hydrogen 3.275 N/A SER 348.A N SER 346.A OG no hydrogen 3.218 N/A SER 348.A OG SER 346.A OG no hydrogen 3.238 N/A ALA 350.A N VAL 171.A O no hydrogen 2.990 N/A TYR 351.A N ILE 341.A O no hydrogen 2.857 N/A TYR 351.A OH ALA 133.A O no hydrogen 2.839 N/A VAL 352.A N LEU 169.A O no hydrogen 2.853 N/A VAL 353.A N VAL 339.A O no hydrogen 3.038 N/A MET 354.A N HIS 167.A O no hydrogen 3.013 N/A MET 356.A N GLY 310.A O no hydrogen 2.833 N/A