Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pk6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLU 3.A OE1 no hydrogen 2.463 N/A ASP 7.A N GLY 11.A O no hydrogen 2.988 N/A GLU 9.A N ASP 7.A OD1 no hydrogen 2.580 N/A VAL 10.A N ASP 7.A OD1 no hydrogen 3.078 N/A GLY 11.A N ASP 7.A O no hydrogen 2.855 N/A ALA 13.A N VAL 10.A O no hydrogen 3.151 N/A LEU 14.A N LEU 120.A O no hydrogen 2.885 N/A GLN 18.A NE2 ASN 20.A O no hydrogen 2.867 N/A TYR 25.A N PRO 22.A O no hydrogen 2.827 N/A TYR 25.A OH SER 55.A O no hydrogen 2.696 N/A ASN 26.A N ASP 23.A O no hydrogen 3.015 N/A MET 29.A N TYR 25.A O no hydrogen 3.176 N/A PHE 30.A N ASN 26.A O no hydrogen 2.796 N/A ILE 31.A N ASP 27.A O no hydrogen 3.317 N/A ALA 32.A N TRP 28.A O no hydrogen 3.201 N/A LYS 33.A N MET 29.A O no hydrogen 2.850 N/A HIS 34.A N PHE 30.A O no hydrogen 3.083 N/A LEU 35.A N ALA 32.A O no hydrogen 3.362 N/A LEU 38.A N HIS 34.A O no hydrogen 3.072 N/A ILE 39.A N LEU 35.A O no hydrogen 3.211 N/A SER 41.A N ASP 37.A O no hydrogen 3.007 N/A SER 41.A OG ASP 37.A O no hydrogen 2.658 N/A SER 41.A OG GLN 43.A OE1 no hydrogen 2.337 N/A GLY 42.A N ILE 39.A O no hydrogen 2.922 N/A GLN 43.A N GLN 43.A OE1 no hydrogen 2.735 N/A LEU 44.A N LEU 38.A O no hydrogen 2.968 N/A ARG 45.A NE TYR 79.A O no hydrogen 2.864 N/A ARG 45.A NH1 ASP 87.A O no hydrogen 2.887 N/A ARG 45.A NH2 ASP 87.A O no hydrogen 2.661 N/A ARG 47.A N GLN 43.A O no hydrogen 2.840 N/A VAL 48.A N LEU 44.A O no hydrogen 2.865 N/A VAL 48.A N ARG 45.A O no hydrogen 3.109 N/A GLU 49.A N ARG 45.A O no hydrogen 3.009 N/A LYS 50.A N GLU 46.A O no hydrogen 2.769 N/A LEU 51.A N VAL 48.A O no hydrogen 3.113 N/A SER 55.A OG ASP 57.A OD2 no hydrogen 2.663 N/A LEU 59.A N ILE 56.A O no hydrogen 2.978 N/A LYS 63.A NZ PRO 15.A O no hydrogen 2.690 N/A LYS 63.A NZ ASN 16.A O no hydrogen 3.052 N/A SER 64.A N ASP 61.A OD1 no hydrogen 3.374 N/A SER 64.A OG ASP 61.A O no hydrogen 2.954 N/A SER 64.A OG ASP 61.A OD1 no hydrogen 2.721 N/A GLN 65.A N ASP 61.A O no hydrogen 3.320 N/A ARG 66.A N HIS 62.A O no hydrogen 2.926 N/A LEU 67.A N LYS 63.A O no hydrogen 3.013 N/A ALA 68.A N SER 64.A O no hydrogen 2.897 N/A ARG 69.A N GLN 65.A O no hydrogen 3.108 N/A ARG 69.A NH1 SER 104.A OG no hydrogen 2.946 N/A ARG 69.A NH1 PRO 110.A O no hydrogen 2.836 N/A ARG 69.A NH2 ILE 112.A O no hydrogen 2.832 N/A ARG 69.A NH2 ASP 117.A OD2 no hydrogen 2.594 N/A LEU 70.A N ARG 66.A O no hydrogen 3.218 N/A VAL 71.A N LEU 67.A O no hydrogen 2.786 N/A LEU 72.A N ALA 68.A O no hydrogen 2.745 N/A GLY 73.A N ARG 69.A O no hydrogen 2.913 N/A CYS 74.A N LEU 70.A O no hydrogen 2.950 N/A CYS 74.A SG LEU 70.A O no hydrogen 3.324 N/A ILE 75.A N VAL 71.A O no hydrogen 3.085 N/A THR 76.A N LEU 72.A O no hydrogen 2.737 N/A THR 76.A OG1 LEU 72.A O no hydrogen 2.806 N/A MET 77.A N GLY 73.A O no hydrogen 2.877 N/A ALA 78.A N CYS 74.A O no hydrogen 2.744 N/A TYR 79.A N ILE 75.A O no hydrogen 2.758 N/A TYR 79.A OH GLU 49.A OE2 no hydrogen 2.787 N/A VAL 80.A N THR 76.A O no hydrogen 2.762 N/A TRP 81.A N MET 77.A O no hydrogen 3.038 N/A TRP 81.A NE1 SER 224.A O no hydrogen 3.082 N/A GLY 82.A N ALA 78.A O no hydrogen 2.840 N/A GLY 84.A N TRP 81.A O no hydrogen 2.955 N/A VAL 88.A N GLY 86.A O no hydrogen 2.942 N/A LYS 90.A NZ GLN 231.A O no hydrogen 2.873 N/A LEU 92.A N VAL 237.A O no hydrogen 2.916 N/A ILE 96.A N PRO 93.A O no hydrogen 3.147 N/A ALA 97.A N PRO 93.A O no hydrogen 2.766 N/A VAL 98.A N ARG 94.A O no hydrogen 3.089 N/A TYR 100.A N ILE 96.A O no hydrogen 2.986 N/A CYS 101.A N ALA 97.A O no hydrogen 2.724 N/A CYS 101.A SG ALA 97.A O no hydrogen 3.256 N/A GLN 102.A N VAL 98.A O no hydrogen 2.974 N/A LEU 103.A N PRO 99.A O no hydrogen 2.943 N/A SER 104.A N TYR 100.A O no hydrogen 2.713 N/A SER 104.A OG TYR 100.A O no hydrogen 3.129 N/A LYS 105.A N CYS 101.A O no hydrogen 2.688 N/A LYS 106.A N GLN 102.A O no hydrogen 2.985 N/A LEU 107.A N LEU 103.A O no hydrogen 2.987 N/A GLU 108.A N LYS 105.A O no hydrogen 3.056 N/A LEU 109.A N SER 104.A O no hydrogen 2.972 N/A ILE 112.A N PRO 110.A O no hydrogen 2.693 N/A VAL 114.A N ASP 117.A OD1 no hydrogen 2.873 N/A TYR 115.A N GLN 255.A OE1 no hydrogen 2.920 N/A TYR 115.A OH GLU 160.A OE1 no hydrogen 2.645 N/A ASP 117.A N VAL 114.A O no hydrogen 2.948 N/A CYS 118.A N VAL 114.A O no hydrogen 2.888 N/A VAL 119.A N TYR 115.A O no hydrogen 2.981 N/A LEU 120.A N TYR 115.A O no hydrogen 3.443 N/A ASN 122.A ND2 CYS 118.A O no hydrogen 2.832 N/A ASN 122.A ND2 PHE 141.A O no hydrogen 3.385 N/A TRP 123.A NE1 LEU 120.A O no hydrogen 3.015 N/A LYS 124.A N ASP 138.A O no hydrogen 3.073 N/A LYS 125.A NZ PRO 128.A O no hydrogen 3.179 N/A LYS 126.A N ASN 136.A O no hydrogen 2.547 N/A LYS 126.A NZ ASP 138.A OD2 no hydrogen 3.285 N/A ASP 127.A N ASN 136.A OD1 no hydrogen 3.197 N/A LYS 130.A N ASP 127.A O no hydrogen 3.203 N/A THR 133.A N PRO 131.A O no hydrogen 2.946 N/A ASN 136.A N THR 133.A O no hydrogen 2.688 N/A ASN 136.A ND2 ASP 127.A O no hydrogen 3.334 N/A ASN 136.A ND2 PRO 131.A O no hydrogen 2.818 N/A MET 137.A N TYR 134.A O no hydrogen 3.014 N/A ASP 138.A N LYS 124.A O no hydrogen 3.006 N/A LEU 140.A N ASN 122.A OD1 no hydrogen 2.662 N/A PHE 141.A N ASN 122.A OD1 no hydrogen 2.968 N/A PHE 143.A N ASP 147.A OD2 no hydrogen 3.109 N/A ARG 144.A N ASP 147.A OD2 no hydrogen 3.265 N/A ARG 144.A NE TYR 222.A OH no hydrogen 2.982 N/A ARG 144.A NH2 LYS 83.A O no hydrogen 3.520 N/A SER 149.A N ASP 147.A OD1 no hydrogen 3.088 N/A SER 149.A OG ASP 147.A OD1 no hydrogen 3.284 N/A LYS 150.A NZ TYR 134.A OH no hydrogen 3.335 N/A PHE 152.A N CYS 148.A O no hydrogen 2.811 N/A PHE 153.A N SER 149.A O no hydrogen 2.820 N/A LEU 154.A N LYS 150.A O no hydrogen 2.903 N/A VAL 155.A N GLY 151.A O no hydrogen 2.979 N/A SER 156.A N PHE 152.A O no hydrogen 3.388 N/A SER 156.A OG PHE 152.A O no hydrogen 2.895 N/A SER 156.A OG PHE 153.A O no hydrogen 2.565 N/A LEU 157.A N PHE 153.A O no hydrogen 2.827 N/A LEU 158.A N LEU 154.A O no hydrogen 2.769 N/A VAL 159.A N VAL 155.A O no hydrogen 2.711 N/A GLU 160.A N SER 156.A O no hydrogen 2.798 N/A ILE 161.A N LEU 157.A O no hydrogen 2.793 N/A ALA 162.A N LEU 158.A O no hydrogen 2.886 N/A ALA 163.A N VAL 159.A O no hydrogen 2.986 N/A ALA 163.A N GLU 160.A O no hydrogen 3.237 N/A ALA 164.A N ILE 161.A O no hydrogen 2.955 N/A ALA 166.A N ALA 163.A O no hydrogen 2.895 N/A VAL 169.A N ALA 166.A O no hydrogen 3.050 N/A ILE 170.A N ILE 167.A O no hydrogen 2.903 N/A THR 172.A OG1 VAL 169.A O no hydrogen 3.035 N/A VAL 173.A N VAL 169.A O no hydrogen 3.252 N/A PHE 174.A N ILE 170.A O no hydrogen 3.139 N/A LYS 175.A N PRO 171.A O no hydrogen 2.709 N/A ALA 176.A N THR 172.A O no hydrogen 2.735 N/A MET 177.A N VAL 173.A O no hydrogen 2.796 N/A GLN 178.A N PHE 174.A O no hydrogen 2.983 N/A MET 179.A N LYS 175.A O no hydrogen 2.860 N/A GLU 181.A N ALA 176.A O no hydrogen 2.919 N/A ARG 182.A NE ASP 314.A OD1 no hydrogen 3.314 N/A ARG 182.A NE ASP 314.A OD2 no hydrogen 2.607 N/A ARG 182.A NH1 ASP 183.A OD1 no hydrogen 2.876 N/A ARG 182.A NH2 ASP 314.A OD1 no hydrogen 3.522 N/A THR 184.A OG1 GLU 181.A OE1 no hydrogen 2.888 N/A LEU 185.A N GLU 181.A O no hydrogen 3.092 N/A LEU 186.A N ARG 182.A O no hydrogen 2.765 N/A LYS 187.A N ASP 183.A O no hydrogen 2.990 N/A ALA 188.A N THR 184.A O no hydrogen 2.847 N/A LEU 189.A N LEU 185.A O no hydrogen 2.883 N/A LEU 190.A N LEU 186.A O no hydrogen 3.122 N/A GLU 191.A N LYS 187.A O no hydrogen 3.189 N/A ILE 192.A N ALA 188.A O no hydrogen 3.026 N/A ALA 193.A N LEU 189.A O no hydrogen 2.924 N/A SER 194.A N LEU 190.A O no hydrogen 2.765 N/A CYS 195.A N GLU 191.A O no hydrogen 2.974 N/A CYS 195.A SG GLU 191.A O no hydrogen 3.265 N/A CYS 195.A SG GLU 191.A OE1 no hydrogen 3.804 N/A CYS 195.A SG GLU 191.A OE2 no hydrogen 3.489 N/A LEU 196.A N ILE 192.A O no hydrogen 2.856 N/A GLU 197.A N ALA 193.A O no hydrogen 3.014 N/A LYS 198.A N SER 194.A O no hydrogen 2.987 N/A ALA 199.A N CYS 195.A O no hydrogen 3.116 N/A LEU 200.A N GLU 197.A O no hydrogen 3.181 N/A GLN 201.A NE2 GLU 197.A O no hydrogen 3.238 N/A PHE 203.A N ALA 199.A O no hydrogen 3.295 N/A HIS 204.A N LEU 200.A O no hydrogen 2.802 N/A GLN 205.A N GLN 201.A O no hydrogen 2.506 N/A HIS 207.A N HIS 204.A O no hydrogen 3.192 N/A HIS 207.A ND1 HIS 204.A O no hydrogen 2.787 N/A VAL 218.A N SER 217.A OG no hydrogen 2.618 N/A TYR 222.A OH GLY 82.A O no hydrogen 2.651 N/A SER 224.A OG ARG 220.A O no hydrogen 2.611 N/A TRP 226.A N PHE 248.A O no hydrogen 3.061 N/A TRP 226.A NE1 TYR 238.A OH no hydrogen 2.764 N/A GLY 228.A N GLU 247.A OE2 no hydrogen 3.207 N/A ASN 229.A ND2 GLY 225.A O no hydrogen 2.678 N/A GLN 231.A N ASN 229.A OD1 no hydrogen 3.352 N/A SER 233.A OG PRO 230.A O no hydrogen 2.985 N/A GLY 235.A N LEU 232.A O no hydrogen 2.929 N/A LEU 236.A N LYS 246.A O no hydrogen 3.083 N/A VAL 237.A N LYS 90.A O no hydrogen 3.238 N/A TYR 238.A OH PRO 111.A O no hydrogen 2.827 N/A GLU 239.A N LEU 92.A O no hydrogen 3.255 N/A PHE 241.A N TYR 238.A O no hydrogen 2.995 N/A TRP 242.A N TYR 238.A O no hydrogen 3.073 N/A LYS 246.A N LEU 236.A O no hydrogen 3.045 N/A ALA 249.A N TYR 287.A OH no hydrogen 2.888 N/A GLY 251.A N LEU 223.A O no hydrogen 2.782 N/A GLY 254.A N SER 252.A OG no hydrogen 3.102 N/A GLN 255.A N SER 252.A O no hydrogen 2.977 N/A GLN 255.A NE2 GLY 250.A O no hydrogen 3.515 N/A SER 256.A N ALA 253.A O no hydrogen 2.864 N/A SER 256.A OG GLU 160.A OE1 no hydrogen 2.897 N/A GLN 260.A NE2 GLY 254.A O no hydrogen 3.047 N/A GLN 260.A NE2 LEU 281.A O no hydrogen 3.022 N/A CYS 261.A N SER 257.A O no hydrogen 2.736 N/A PHE 262.A N VAL 258.A O no hydrogen 3.236 N/A ASP 263.A N PHE 259.A O no hydrogen 2.896 N/A VAL 264.A N GLN 260.A O no hydrogen 2.822 N/A LEU 265.A N CYS 261.A O no hydrogen 2.811 N/A LEU 266.A N PHE 262.A O no hydrogen 3.077 N/A GLY 267.A N VAL 264.A O no hydrogen 2.762 N/A ILE 268.A N ASP 263.A O no hydrogen 2.832 N/A GLN 270.A NE2 ASP 263.A OD2 no hydrogen 3.112 N/A THR 271.A OG1 GLN 269.A OE1 no hydrogen 3.500 N/A GLY 274.A N THR 271.A O no hydrogen 2.895 N/A GLN 279.A N GLY 275.A O no hydrogen 3.125 N/A GLN 279.A NE2 ASP 283.A OD2 no hydrogen 3.024 N/A PHE 280.A N HIS 276.A O no hydrogen 2.726 N/A LEU 281.A N ALA 277.A O no hydrogen 2.991 N/A GLN 282.A N ALA 278.A O no hydrogen 3.144 N/A ASP 283.A N GLN 279.A O no hydrogen 3.006 N/A MET 284.A N LEU 281.A O no hydrogen 3.202 N/A ARG 285.A N GLN 282.A O no hydrogen 2.708 N/A ARG 285.A NE GLN 260.A OE1 no hydrogen 3.172 N/A ARG 285.A NH1 GLU 300.A OE2 no hydrogen 2.993 N/A ARG 285.A NH2 GLN 260.A OE1 no hydrogen 3.488 N/A ARG 285.A NH2 GLU 300.A OE2 no hydrogen 3.220 N/A TYR 287.A N MET 284.A O no hydrogen 3.009 N/A MET 288.A N ARG 285.A O no hydrogen 3.012 N/A HIS 292.A N PRO 289.A O no hydrogen 2.875 N/A HIS 292.A NE2 HIS 5.A O no hydrogen 2.911 N/A ARG 293.A N PRO 289.A O no hydrogen 3.005 N/A ARG 293.A NE ARG 285.A O no hydrogen 3.378 N/A ARG 293.A NE MET 288.A O no hydrogen 3.010 N/A ARG 293.A NH2 GLU 108.A O no hydrogen 2.701 N/A ARG 293.A NH2 ARG 286.A O no hydrogen 3.419 N/A ARG 293.A NH2 MET 288.A O no hydrogen 2.786 N/A ASN 294.A N PRO 290.A O no hydrogen 3.282 N/A PHE 295.A N ALA 291.A O no hydrogen 3.002 N/A LEU 296.A N HIS 292.A O no hydrogen 3.035 N/A CYS 297.A N ARG 293.A O no hydrogen 3.309 N/A SER 298.A N ASN 294.A O no hydrogen 3.051 N/A SER 298.A OG TYR 4.A OH no hydrogen 3.300 N/A LEU 299.A N PHE 295.A O no hydrogen 3.039 N/A GLU 300.A N LEU 296.A O no hydrogen 3.427 N/A SER 301.A N CYS 297.A O no hydrogen 2.992 N/A ASN 302.A N SER 298.A O no hydrogen 3.138 N/A ARG 306.A N SER 304.A OG no hydrogen 3.213 N/A ARG 306.A NH2 SER 368.A O no hydrogen 2.674 N/A GLU 307.A N SER 304.A OG no hydrogen 3.262 N/A PHE 308.A N SER 304.A O no hydrogen 3.301 N/A VAL 309.A N VAL 305.A O no hydrogen 2.980 N/A LEU 310.A N ARG 306.A O no hydrogen 3.142 N/A SER 311.A N PHE 308.A O no hydrogen 2.929 N/A SER 311.A OG GLU 307.A O no hydrogen 2.533 N/A LYS 312.A NZ PHE 308.A O no hydrogen 3.183 N/A LEU 317.A N ASP 314.A OD1 no hydrogen 2.771 N/A ARG 318.A N ASP 314.A O no hydrogen 3.111 N/A GLU 319.A N ALA 315.A O no hydrogen 3.114 N/A ALA 320.A N GLY 316.A O no hydrogen 3.133 N/A TYR 321.A N LEU 317.A O no hydrogen 2.784 N/A TYR 321.A OH LEU 266.A O no hydrogen 2.671 N/A ASP 322.A N ARG 318.A O no hydrogen 2.585 N/A ALA 323.A N GLU 319.A O no hydrogen 2.697 N/A CYS 324.A N TYR 321.A O no hydrogen 3.000 N/A CYS 324.A SG LEU 189.A O no hydrogen 3.167 N/A CYS 324.A SG ALA 320.A O no hydrogen 3.504 N/A VAL 325.A N TYR 321.A O no hydrogen 3.132 N/A LYS 326.A N ASP 322.A O no hydrogen 2.658 N/A ALA 327.A N ALA 323.A O no hydrogen 3.163 N/A LEU 328.A N CYS 324.A O no hydrogen 3.160 N/A LEU 328.A N VAL 325.A O no hydrogen 3.099 N/A VAL 329.A N VAL 325.A O no hydrogen 3.105 N/A SER 330.A N LYS 326.A O no hydrogen 3.033 N/A SER 330.A OG LYS 326.A O no hydrogen 2.576 N/A LEU 331.A N ALA 327.A O no hydrogen 3.109 N/A ARG 332.A N LEU 328.A O no hydrogen 2.674 N/A ARG 332.A NH1 ASP 263.A OD1 no hydrogen 3.324 N/A ARG 332.A NH2 ASP 263.A OD1 no hydrogen 3.215 N/A ARG 332.A NH2 ASP 263.A OD2 no hydrogen 2.861 N/A SER 333.A N VAL 329.A O no hydrogen 2.810 N/A SER 333.A OG VAL 329.A O no hydrogen 2.608 N/A TYR 334.A N SER 330.A O no hydrogen 3.086 N/A TYR 334.A OH HIS 207.A ND1 no hydrogen 2.951 N/A HIS 335.A N LEU 331.A O no hydrogen 3.156 N/A LEU 336.A N ARG 332.A O no hydrogen 2.814 N/A GLN 337.A N SER 333.A O no hydrogen 2.649 N/A ILE 338.A N TYR 334.A O no hydrogen 2.907 N/A VAL 339.A N HIS 335.A O no hydrogen 2.813 N/A THR 340.A N LEU 336.A O no hydrogen 3.026 N/A THR 340.A OG1 LEU 336.A O no hydrogen 3.199 N/A THR 340.A OG1 GLN 337.A O no hydrogen 2.863 N/A LYS 341.A N GLN 337.A O no hydrogen 3.395 N/A TYR 342.A N VAL 339.A O no hydrogen 2.912 N/A ASN 356.A N THR 352.A O no hydrogen 3.207 N/A PHE 357.A N ASP 353.A O no hydrogen 2.910 N/A LEU 358.A N LEU 354.A O no hydrogen 2.909 N/A LYS 359.A N MET 355.A O no hydrogen 3.389 N/A THR 360.A N ASN 356.A O no hydrogen 2.913 N/A THR 360.A OG1 ASN 356.A O no hydrogen 2.641 N/A THR 360.A OG1 PHE 357.A O no hydrogen 3.496 N/A VAL 361.A N PHE 357.A O no hydrogen 3.269 N/A ARG 362.A N LEU 358.A O no hydrogen 2.939 N/A ARG 362.A NH1 SER 333.A OG no hydrogen 2.709 N/A SER 363.A N LYS 359.A O no hydrogen 2.837 N/A THR 364.A N THR 360.A O no hydrogen 2.887 N/A THR 364.A OG1 THR 360.A O no hydrogen 2.521 N/A THR 364.A OG1 VAL 361.A O no hydrogen 3.483 N/A THR 365.A N VAL 361.A O no hydrogen 2.969 N/A THR 365.A OG1 VAL 361.A O no hydrogen 2.877 N/A GLU 366.A N ARG 362.A O no hydrogen 2.881 N/A LYS 367.A N SER 363.A O no hydrogen 2.849 N/A SER 368.A N THR 365.A O no hydrogen 3.024 N/A SER 368.A OG THR 364.A O no hydrogen 3.268 N/A LEU 369.A N GLU 366.A O no hydrogen 3.187 N/A LEU 370.A N ASP 322.A OD1 no hydrogen 2.634 N/A GLY 373.A N LYS 371.A O no hydrogen 2.768 N/A