Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pnk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ THR 194.A O no hydrogen 2.872 N/A ILE 4.A N LYS 2.A O no hydrogen 2.936 N/A ASN 5.A ND2 GLU 13.A OE1 no hydrogen 3.069 N/A ASN 5.A ND2 GLU 13.A OE2 no hydrogen 3.219 N/A ASP 9.A N ASP 6.A O no hydrogen 3.095 N/A GLU 13.A N ASP 9.A O no hydrogen 3.062 N/A GLN 14.A N VAL 10.A O no hydrogen 3.216 N/A LEU 15.A N LEU 11.A O no hydrogen 2.883 N/A ALA 16.A N ASP 12.A O no hydrogen 2.975 N/A GLY 17.A N GLU 13.A O no hydrogen 3.129 N/A LEU 18.A N GLN 14.A O no hydrogen 3.008 N/A ALA 19.A N LEU 15.A O no hydrogen 3.133 N/A LYS 20.A N ALA 16.A O no hydrogen 3.062 N/A ALA 21.A N GLY 17.A O no hydrogen 2.936 N/A LEU 25.A N HIS 22.A O no hydrogen 2.955 N/A THR 26.A N THR 35.A O no hydrogen 2.793 N/A HIS 28.A N TYR 33.A O no hydrogen 2.656 N/A HIS 28.A NE2 THR 35.A OG1 no hydrogen 2.799 N/A TYR 33.A N HIS 28.A O no hydrogen 3.134 N/A VAL 34.A N ALA 71.A O no hydrogen 3.060 N/A THR 35.A N THR 26.A O no hydrogen 3.010 N/A THR 35.A OG1 HIS 28.A NE2 no hydrogen 2.799 N/A THR 35.A OG1 ARG 36.A O no hydrogen 3.283 N/A ARG 36.A N SER 69.A O no hydrogen 3.032 N/A ALA 37.A N SER 24.A O no hydrogen 2.678 N/A ASP 38.A N ASP 38.A OD1 no hydrogen 2.600 N/A ALA 39.A N ARG 36.A O no hydrogen 2.944 N/A GLY 43.A N GLY 94.A O no hydrogen 2.951 N/A LYS 44.A NZ GLU 164.A O no hydrogen 2.668 N/A LYS 44.A NZ GLU 164.A OE2 no hydrogen 3.079 N/A ALA 46.A N GLY 97.A O no hydrogen 3.168 N/A LEU 47.A N SER 69.A OG no hydrogen 3.051 N/A LEU 48.A N LEU 99.A O no hydrogen 2.928 N/A SER 49.A N GLY 70.A O no hydrogen 3.369 N/A SER 49.A OG ILE 101.A O no hydrogen 2.568 N/A GLY 51.A N CYS 72.A O no hydrogen 3.114 N/A SER 53.A N GLU 75.A O no hydrogen 3.076 N/A SER 53.A OG GLY 74.A O no hydrogen 2.553 N/A GLY 54.A N GLU 56.A OE2 no hydrogen 2.709 N/A HIS 55.A ND1 THR 320.A O no hydrogen 2.886 N/A MET 58.A N HIS 55.A O no hydrogen 2.862 N/A HIS 59.A ND1 GLU 156.A OE2 no hydrogen 2.716 N/A GLY 61.A N PRO 57.A O no hydrogen 2.781 N/A TYR 62.A N HIS 59.A O no hydrogen 2.927 N/A TYR 62.A OH TYR 318.A O no hydrogen 2.535 N/A GLY 64.A N LEU 68.A O no hydrogen 2.894 N/A MET 67.A N GLY 64.A O no hydrogen 3.112 N/A LEU 68.A N TYR 62.A O no hydrogen 2.927 N/A SER 69.A N LEU 47.A O no hydrogen 2.728 N/A SER 69.A OG LEU 47.A O no hydrogen 3.528 N/A GLY 70.A N LEU 47.A O no hydrogen 3.412 N/A ALA 71.A N VAL 34.A O no hydrogen 2.843 N/A CYS 72.A N SER 49.A O no hydrogen 3.044 N/A GLY 74.A N GLY 51.A O no hydrogen 2.861 N/A PHE 77.A N SER 53.A O no hydrogen 2.924 N/A THR 78.A N GLU 75.A O no hydrogen 3.005 N/A THR 78.A OG1 ILE 76.A O no hydrogen 2.795 N/A SER 79.A OG PRO 80.A O no hydrogen 2.937 N/A THR 81.A OG1 ASP 83.A OD1 no hydrogen 2.411 N/A LYS 84.A N THR 81.A O no hydrogen 3.219 N/A LYS 84.A NZ VAL 32.A O no hydrogen 3.214 N/A LYS 84.A NZ PRO 73.A O no hydrogen 2.949 N/A PHE 86.A N PRO 82.A O no hydrogen 2.825 N/A GLU 87.A N ASP 83.A O no hydrogen 3.141 N/A CYS 88.A N LYS 84.A O no hydrogen 2.780 N/A ALA 89.A N ILE 85.A O no hydrogen 2.999 N/A MET 90.A N PHE 86.A O no hydrogen 3.037 N/A GLN 91.A N GLU 87.A O no hydrogen 2.905 N/A VAL 92.A N CYS 88.A O no hydrogen 3.199 N/A VAL 92.A N ALA 89.A O no hydrogen 3.289 N/A ASP 93.A N ALA 89.A O no hydrogen 3.015 N/A GLY 95.A N ASP 93.A OD1 no hydrogen 3.003 N/A VAL 98.A N LYS 125.A O no hydrogen 2.852 N/A LEU 99.A N ALA 46.A O no hydrogen 2.819 N/A LEU 100.A N THR 127.A O no hydrogen 3.013 N/A ILE 101.A N LEU 48.A O no hydrogen 2.951 N/A ILE 102.A N VAL 129.A O no hydrogen 2.733 N/A LYS 103.A NZ HIS 59.A NE2 no hydrogen 2.917 N/A ASN 104.A N ILE 131.A O no hydrogen 2.904 N/A ASN 104.A ND2 ARG 146.A O no hydrogen 2.848 N/A TYR 105.A N LYS 103.A O no hydrogen 2.913 N/A TYR 105.A OH GLY 148.A O no hydrogen 2.532 N/A ILE 109.A N TYR 105.A O no hydrogen 2.873 N/A LEU 110.A N THR 106.A O no hydrogen 3.072 N/A ASN 111.A N GLY 107.A O no hydrogen 2.965 N/A ASN 111.A ND2 SER 79.A OG no hydrogen 3.083 N/A PHE 112.A N ASP 108.A O no hydrogen 2.897 N/A GLU 113.A N ILE 109.A O no hydrogen 2.840 N/A THR 114.A N LEU 110.A O no hydrogen 2.974 N/A THR 114.A OG1 LEU 110.A O no hydrogen 2.783 N/A ALA 115.A N ASN 111.A O no hydrogen 3.119 N/A THR 116.A N PHE 112.A O no hydrogen 3.033 N/A THR 116.A OG1 PHE 112.A O no hydrogen 2.699 N/A GLU 117.A N GLU 113.A O no hydrogen 3.203 N/A LEU 118.A N THR 114.A O no hydrogen 3.109 N/A LEU 119.A N ALA 115.A O no hydrogen 2.840 N/A HIS 120.A N THR 116.A O no hydrogen 2.980 N/A ASP 121.A N GLU 117.A O no hydrogen 3.134 N/A SER 122.A N LEU 118.A O no hydrogen 3.303 N/A SER 122.A N LEU 119.A O no hydrogen 3.011 N/A SER 122.A OG LEU 118.A O no hydrogen 3.097 N/A GLY 123.A N HIS 120.A O no hydrogen 3.040 N/A VAL 124.A N LEU 119.A O no hydrogen 3.015 N/A THR 127.A N VAL 98.A O no hydrogen 3.255 N/A THR 127.A OG1 TRP 254.A O no hydrogen 2.640 N/A THR 128.A N THR 127.A OG1 no hydrogen 2.808 N/A VAL 129.A N LEU 100.A O no hydrogen 2.846 N/A ILE 131.A N ILE 102.A O no hydrogen 2.857 N/A ASP 132.A N ASN 180.A OD1 no hydrogen 3.046 N/A ASP 134.A N ARG 147.A O no hydrogen 3.038 N/A VAL 135.A N SER 185.A O no hydrogen 2.956 N/A ALA 136.A N ASP 134.A OD1 no hydrogen 3.060 N/A SER 140.A N LYS 138.A O no hydrogen 2.954 N/A ARG 146.A NH1 ASN 244.A O no hydrogen 2.994 N/A ARG 146.A NH2 ASN 244.A O no hydrogen 2.907 N/A ARG 147.A NE ASP 134.A OD2 no hydrogen 2.773 N/A ARG 147.A NH1 GLU 219.A OE2 no hydrogen 3.072 N/A ARG 147.A NH2 ASP 134.A OD2 no hydrogen 2.602 N/A ARG 147.A NH2 GLY 213.A O no hydrogen 2.797 N/A VAL 149.A N ASP 133.A OD1 no hydrogen 2.756 N/A ASN 151.A N ASP 133.A OD2 no hydrogen 3.094 N/A THR 152.A N VAL 149.A O no hydrogen 3.025 N/A THR 152.A OG1 VAL 149.A O no hydrogen 2.633 N/A VAL 153.A N ALA 150.A O no hydrogen 3.132 N/A ILE 155.A N ASN 151.A O no hydrogen 3.050 N/A GLU 156.A N THR 152.A O no hydrogen 2.890 N/A LYS 157.A N VAL 153.A O no hydrogen 3.105 N/A LYS 157.A NZ LEU 341.A O no hydrogen 2.804 N/A LYS 157.A NZ TRP 342.A O no hydrogen 2.855 N/A LYS 157.A NZ ALA 344.A O no hydrogen 2.745 N/A LEU 158.A N LEU 154.A O no hydrogen 3.108 N/A VAL 159.A N ILE 155.A O no hydrogen 2.850 N/A GLY 160.A N GLU 156.A O no hydrogen 2.936 N/A ALA 161.A N LYS 157.A O no hydrogen 3.012 N/A ALA 162.A N LEU 158.A O no hydrogen 3.249 N/A ALA 163.A N VAL 159.A O no hydrogen 2.893 N/A GLU 164.A N GLY 160.A O no hydrogen 2.967 N/A ARG 165.A N ALA 161.A O no hydrogen 2.902 N/A ARG 165.A NE ASP 167.A OD1 no hydrogen 3.313 N/A ARG 165.A NH2 ASP 167.A OD1 no hydrogen 3.498 N/A ARG 165.A NH2 ASP 167.A OD2 no hydrogen 2.689 N/A GLY 166.A N ALA 162.A O no hydrogen 3.151 N/A GLY 166.A N ALA 163.A O no hydrogen 3.061 N/A ASP 167.A N ALA 162.A O no hydrogen 3.014 N/A ALA 171.A N SER 168.A OG no hydrogen 3.289 N/A CYS 172.A N SER 168.A O no hydrogen 2.891 N/A CYS 172.A SG ASP 167.A O no hydrogen 3.902 N/A CYS 172.A SG SER 168.A O no hydrogen 3.390 N/A ALA 173.A N LEU 169.A O no hydrogen 2.942 N/A GLU 174.A N ASP 170.A O no hydrogen 2.876 N/A LEU 175.A N ALA 171.A O no hydrogen 3.041 N/A GLY 176.A N CYS 172.A O no hydrogen 3.069 N/A ARG 177.A N ALA 173.A O no hydrogen 2.929 N/A ARG 177.A NE THR 128.A O no hydrogen 3.059 N/A ARG 177.A NH2 THR 128.A O no hydrogen 3.009 N/A LYS 178.A N GLU 174.A O no hydrogen 2.953 N/A LEU 179.A N LEU 175.A O no hydrogen 2.857 N/A ASN 180.A N GLY 176.A O no hydrogen 2.967 N/A ASN 180.A ND2 ASP 132.A OD1 no hydrogen 2.939 N/A ASN 181.A N ARG 177.A O no hydrogen 3.231 N/A ASN 181.A ND2 GLN 266.A OE1 no hydrogen 2.601 N/A GLN 182.A N LEU 179.A O no hydrogen 2.997 N/A HIS 184.A N LEU 331.A O no hydrogen 2.791 N/A SER 185.A N ASP 133.A O no hydrogen 3.021 N/A SER 185.A OG ASP 133.A OD2 no hydrogen 2.503 N/A SER 185.A OG THR 330.A OG1 no hydrogen 2.676 N/A ILE 186.A N ILE 329.A O no hydrogen 3.024 N/A ILE 188.A N PHE 327.A O no hydrogen 2.841 N/A ALA 189.A N GLU 211.A O no hydrogen 2.887 N/A LEU 190.A N THR 325.A O no hydrogen 2.678 N/A GLY 191.A N THR 325.A O no hydrogen 3.099 N/A CYS 193.A SG SER 202.A OG no hydrogen 3.312 N/A THR 194.A N ASP 323.A OD1 no hydrogen 3.001 N/A SER 202.A N CYS 193.A O no hydrogen 2.779 N/A SER 202.A OG CYS 193.A O no hydrogen 2.807 N/A ALA 206.A N GLU 209.A OE1 no hydrogen 2.913 N/A GLU 209.A N ALA 206.A O no hydrogen 3.195 N/A MET 210.A N ARG 225.A O no hydrogen 2.822 N/A GLU 211.A N ALA 189.A O no hydrogen 2.865 N/A PHE 212.A N ASP 223.A O no hydrogen 2.896 N/A GLY 213.A N GLY 187.A O no hydrogen 2.911 N/A VAL 214.A N GLY 187.A O no hydrogen 2.973 N/A HIS 217.A N GLU 219.A OE1 no hydrogen 3.381 N/A GLY 221.A N GLU 211.A OE2 no hydrogen 2.855 N/A ILE 222.A N GLY 213.A O no hydrogen 3.353 N/A ASP 223.A N PHE 212.A O no hydrogen 3.434 N/A ARG 225.A N MET 210.A O no hydrogen 3.054 N/A ARG 225.A NH1 GLU 236.A OE1 no hydrogen 3.088 N/A PHE 227.A N ASN 208.A O no hydrogen 2.805 N/A GLN 232.A N SER 229.A OG no hydrogen 3.134 N/A GLN 232.A NE2 GLU 236.A OE2 no hydrogen 2.780 N/A THR 233.A N SER 229.A O no hydrogen 2.980 N/A THR 233.A OG1 SER 229.A O no hydrogen 2.848 N/A VAL 234.A N LEU 230.A O no hydrogen 2.846 N/A ASP 235.A N ASP 231.A O no hydrogen 2.889 N/A GLU 236.A N GLN 232.A O no hydrogen 2.982 N/A MET 237.A N THR 233.A O no hydrogen 3.123 N/A PHE 238.A N VAL 234.A O no hydrogen 2.881 N/A ASP 239.A N ASP 235.A O no hydrogen 2.968 N/A THR 240.A N GLU 236.A O no hydrogen 3.076 N/A THR 240.A OG1 GLU 236.A O no hydrogen 2.668 N/A LEU 241.A N MET 237.A O no hydrogen 3.070 N/A LEU 242.A N PHE 238.A O no hydrogen 3.286 N/A VAL 243.A N ASP 239.A O no hydrogen 2.949 N/A ASN 244.A N THR 240.A O no hydrogen 2.893 N/A ASN 244.A ND2 VAL 135.A O no hydrogen 2.960 N/A GLY 245.A N LEU 242.A O no hydrogen 3.380 N/A TYR 247.A N LYS 268.A O no hydrogen 3.203 N/A ARG 249.A N GLN 266.A O no hydrogen 3.054 N/A ARG 249.A NE ASP 132.A OD2 no hydrogen 3.032 N/A ARG 249.A NH1 ASN 181.A OD1 no hydrogen 2.813 N/A ARG 249.A NH2 ASP 132.A OD1 no hydrogen 2.962 N/A ARG 249.A NH2 ASN 181.A OD1 no hydrogen 2.814 N/A LEU 251.A N GLU 264.A O no hydrogen 2.796 N/A ARG 252.A NE GLU 113.A OE2 no hydrogen 3.312 N/A ARG 252.A NH2 GLU 113.A OE1 no hydrogen 2.795 N/A ARG 252.A NH2 GLU 113.A OE2 no hydrogen 3.481 N/A PHE 253.A N GLN 262.A O no hydrogen 2.874 N/A TRP 254.A N THR 128.A OG1 no hydrogen 3.249 N/A ASP 255.A N SER 260.A O no hydrogen 2.834 N/A TYR 256.A OH ASP 170.A OD1 no hydrogen 2.594 N/A GLN 258.A N ASP 255.A OD1 no hydrogen 3.162 N/A SER 260.A N ASP 255.A O no hydrogen 3.250 N/A TRP 261.A NE1 GLU 117.A OE2 no hydrogen 2.856 N/A GLN 262.A N PHE 253.A O no hydrogen 2.808 N/A GLN 262.A NE2 GLU 263.A O no hydrogen 3.566 N/A GLU 264.A N LEU 251.A O no hydrogen 2.799 N/A GLN 266.A N ARG 249.A O no hydrogen 2.816 N/A LYS 268.A N TYR 247.A O no hydrogen 2.754 N/A LYS 268.A NZ GLY 183.A O no hydrogen 2.651 N/A GLN 272.A N ASP 275.A OD2 no hydrogen 2.718 N/A GLN 272.A NE2 PRO 270.A O no hydrogen 3.418 N/A GLY 274.A N GLY 307.A O no hydrogen 2.797 N/A ASP 275.A N GLN 272.A O no hydrogen 3.131 N/A ARG 276.A NE GLU 311.A OE2 no hydrogen 2.766 N/A ARG 276.A NH1 ASP 336.A OD1 no hydrogen 2.737 N/A ARG 276.A NH2 GLU 311.A OE2 no hydrogen 2.804 N/A ARG 276.A NH2 ASP 336.A OD1 no hydrogen 3.355 N/A VAL 277.A N THR 309.A O no hydrogen 2.842 N/A ILE 278.A N LEU 332.A O no hydrogen 2.937 N/A ALA 279.A N ARG 312.A O no hydrogen 3.058 N/A LEU 280.A N THR 330.A O no hydrogen 2.857 N/A VAL 281.A N LEU 314.A O no hydrogen 2.875 N/A ASN 282.A N SER 328.A O no hydrogen 2.913 N/A ASN 282.A ND2 CYS 319.A O no hydrogen 2.817 N/A ASN 282.A ND2 SER 328.A OG no hydrogen 3.027 N/A ASN 283.A N GLY 316.A O no hydrogen 2.727 N/A ASN 283.A ND2 GLY 326.A O no hydrogen 3.384 N/A LEU 284.A N GLY 326.A O no hydrogen 3.021 N/A ALA 286.A N MET 324.A O no hydrogen 2.900 N/A THR 287.A OG1 GLY 326.A O no hydrogen 2.710 N/A TYR 293.A N LEU 289.A O no hydrogen 3.279 N/A GLY 294.A N SER 290.A O no hydrogen 3.287 N/A VAL 295.A N GLU 291.A O no hydrogen 2.960 N/A TYR 296.A N LEU 292.A O no hydrogen 2.875 N/A ASN 297.A N TYR 293.A O no hydrogen 2.920 N/A ARG 298.A N GLY 294.A O no hydrogen 3.247 N/A ARG 298.A NE ASP 235.A OD1 no hydrogen 2.882 N/A ARG 298.A NH2 ASP 235.A OD1 no hydrogen 3.305 N/A ARG 298.A NH2 ASP 235.A OD2 no hydrogen 2.547 N/A LEU 299.A N VAL 295.A O no hydrogen 2.907 N/A THR 300.A N TYR 296.A O no hydrogen 3.002 N/A THR 300.A OG1 ASN 297.A O no hydrogen 2.813 N/A THR 301.A OG1 ASN 297.A O no hydrogen 3.371 N/A ARG 302.A N ARG 298.A O no hydrogen 3.102 N/A ARG 302.A NH1 ASP 235.A OD1 no hydrogen 3.079 N/A ARG 302.A NH1 ASP 239.A OD1 no hydrogen 3.285 N/A ARG 302.A NH2 ASP 239.A OD1 no hydrogen 2.967 N/A CYS 303.A N LEU 299.A O no hydrogen 2.888 N/A CYS 303.A SG LEU 299.A O no hydrogen 3.353 N/A GLN 304.A N THR 300.A O no hydrogen 2.907 N/A GLN 305.A N THR 301.A O no hydrogen 2.933 N/A ALA 306.A N ARG 302.A O no hydrogen 3.084 N/A ALA 306.A N CYS 303.A O no hydrogen 3.143 N/A GLY 307.A N GLN 304.A O no hydrogen 3.182 N/A LEU 308.A N CYS 303.A O no hydrogen 2.826 N/A THR 309.A N ASP 275.A O no hydrogen 3.077 N/A GLU 311.A N VAL 277.A O no hydrogen 2.749 N/A ARG 312.A NE ASP 343.A OD1 no hydrogen 2.794 N/A ARG 312.A NH1 GLU 311.A O no hydrogen 3.043 N/A ARG 312.A NH2 ASP 343.A OD1 no hydrogen 3.513 N/A ARG 312.A NH2 ASP 343.A OD2 no hydrogen 2.715 N/A ASN 313.A ND2 TYR 296.A OH no hydrogen 3.322 N/A LEU 314.A N ALA 279.A O no hydrogen 2.867 N/A GLY 316.A N VAL 281.A O no hydrogen 3.072 N/A TYR 318.A N ASN 282.A OD1 no hydrogen 2.950 N/A CYS 319.A N ASN 282.A OD1 no hydrogen 2.830 N/A THR 320.A N HIS 55.A O no hydrogen 3.207 N/A THR 320.A OG1 GLU 56.A O no hydrogen 2.677 N/A SER 321.A N LEU 284.A O no hydrogen 2.738 N/A SER 321.A OG ILE 216.A O no hydrogen 2.649 N/A LEU 322.A N GLY 54.A O no hydrogen 2.865 N/A MET 324.A N SER 321.A O no hydrogen 3.122 N/A THR 325.A N GLY 191.A O no hydrogen 3.143 N/A PHE 327.A N ILE 188.A O no hydrogen 3.079 N/A SER 328.A N ASN 282.A O no hydrogen 2.870 N/A ILE 329.A N ILE 186.A O no hydrogen 2.856 N/A THR 330.A N LEU 280.A O no hydrogen 2.974 N/A THR 330.A OG1 SER 185.A OG no hydrogen 2.676 N/A LEU 331.A N HIS 184.A O no hydrogen 2.794 N/A LEU 332.A N ILE 278.A O no hydrogen 2.971 N/A LYS 333.A N GLN 182.A O no hydrogen 2.883 N/A VAL 334.A N ARG 276.A O no hydrogen 2.771 N/A THR 338.A N ASP 335.A OD1 no hydrogen 3.149 N/A THR 338.A OG1 ASP 335.A OD1 no hydrogen 2.683 N/A LEU 339.A N ASP 335.A O no hydrogen 2.877 N/A ALA 340.A N ASP 336.A O no hydrogen 3.171 N/A LEU 341.A N GLU 337.A O no hydrogen 3.262 N/A TRP 342.A N THR 338.A O no hydrogen 2.983 N/A ASP 343.A N LEU 339.A O no hydrogen 2.990 N/A ALA 344.A N ALA 340.A O no hydrogen 3.200 N/A VAL 346.A N TRP 353.A O no hydrogen 2.908 N/A HIS 347.A N GLN 65.A O no hydrogen 2.893 N/A HIS 347.A ND1 ASN 352.A OD1 no hydrogen 2.754 N/A THR 348.A N LEU 351.A O no hydrogen 2.843 N/A THR 348.A OG1 GLY 61.A O no hydrogen 3.302 N/A THR 348.A OG1 LEU 351.A O no hydrogen 2.725 N/A ALA 350.A N GLY 61.A O no hydrogen 2.980 N/A LEU 351.A N THR 348.A OG1 no hydrogen 2.879 N/A TRP 353.A N VAL 346.A O no hydrogen 2.913 N/A TRP 353.A NE1 TRP 342.A O no hydrogen 3.201 N/A