Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4erk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N GLN 10.A O no hydrogen 3.352 N/A VAL 11.A N GLN 10.A OE1 no hydrogen 3.327 N/A PHE 12.A N GLU 5.A O no hydrogen 2.548 N/A ARG 17.A NE ASP 37.A OD1 no hydrogen 2.853 N/A ARG 17.A NH2 ASP 37.A OD1 no hydrogen 2.870 N/A TYR 18.A OH ASP 81.A OD2 no hydrogen 3.162 N/A THR 19.A N TYR 36.A O no hydrogen 3.116 N/A THR 19.A OG1 ASN 38.A OD1 no hydrogen 3.105 N/A SER 22.A N SER 34.A O no hydrogen 2.919 N/A TYR 23.A OH GLU 26.A OE2 no hydrogen 2.871 N/A ILE 24.A N VAL 32.A O no hydrogen 2.985 N/A MET 31.A N LYS 48.A O no hydrogen 3.205 N/A VAL 32.A N GLY 25.A O no hydrogen 3.139 N/A CYS 33.A N ILE 46.A O no hydrogen 2.890 N/A CYS 33.A SG VAL 32.A O no hydrogen 3.323 N/A SER 34.A N SER 22.A O no hydrogen 2.851 N/A SER 34.A OG SER 22.A O no hydrogen 3.026 N/A ALA 35.A N VAL 44.A O no hydrogen 3.282 N/A ASP 37.A N VAL 42.A O no hydrogen 2.672 N/A ASN 38.A N ARG 17.A O no hydrogen 2.855 N/A ASN 38.A N TYR 36.A O no hydrogen 2.654 N/A ASN 40.A N ASP 37.A OD1 no hydrogen 2.730 N/A LYS 41.A N ASP 37.A O no hydrogen 2.480 N/A ARG 43.A NE ALA 35.A O no hydrogen 2.919 N/A ARG 43.A NH2 ASN 20.A O no hydrogen 2.640 N/A ARG 43.A NH2 SER 34.A OG no hydrogen 3.314 N/A ALA 45.A N GLN 98.A O no hydrogen 2.822 N/A ILE 46.A N CYS 33.A O no hydrogen 2.869 N/A LYS 47.A N ILE 96.A O no hydrogen 3.149 N/A LYS 48.A N MET 31.A O no hydrogen 2.714 N/A ILE 49.A N VAL 94.A O no hydrogen 2.744 N/A CYS 58.A N HIS 54.A O no hydrogen 3.247 N/A CYS 58.A N GLN 55.A O no hydrogen 3.130 N/A CYS 58.A SG PRO 51.A O no hydrogen 3.046 N/A CYS 58.A SG HIS 54.A O no hydrogen 3.530 N/A GLN 59.A N GLN 55.A O no hydrogen 3.369 N/A ARG 60.A N THR 56.A O no hydrogen 3.106 N/A THR 61.A N TYR 57.A O no hydrogen 3.217 N/A THR 61.A OG1 TYR 57.A O no hydrogen 2.580 N/A LEU 62.A N CYS 58.A O no hydrogen 2.932 N/A ARG 63.A N GLN 59.A O no hydrogen 3.141 N/A ARG 63.A NE ALA 164.A O no hydrogen 3.372 N/A GLU 64.A N ARG 60.A O no hydrogen 3.145 N/A ILE 65.A N THR 61.A O no hydrogen 3.118 N/A LYS 66.A N LEU 62.A O no hydrogen 2.739 N/A LYS 66.A NZ GLU 343.A OE2 no hydrogen 3.440 N/A ILE 67.A N ARG 63.A O no hydrogen 3.046 N/A LEU 68.A N GLU 64.A O no hydrogen 3.077 N/A LEU 69.A N ILE 65.A O no hydrogen 2.987 N/A ARG 70.A N LYS 66.A O no hydrogen 3.126 N/A PHE 71.A N ILE 67.A O no hydrogen 2.896 N/A PHE 71.A N LEU 68.A O no hydrogen 3.332 N/A ARG 72.A N TYR 132.A OH no hydrogen 3.041 N/A HIS 73.A NE2 ASN 75.A OD1 no hydrogen 3.093 N/A ASN 75.A ND2 GLN 125.A OE1 no hydrogen 3.478 N/A ASN 75.A ND2 LEU 156.A O no hydrogen 3.092 N/A ILE 76.A N HIS 73.A O no hydrogen 3.164 N/A ILE 77.A N ILE 158.A O no hydrogen 2.854 N/A ASN 80.A N VAL 97.A O no hydrogen 2.779 N/A ASP 81.A N VAL 97.A O no hydrogen 3.439 N/A ILE 82.A N ASP 81.A OD1 no hydrogen 2.623 N/A ILE 83.A N TYR 95.A O no hydrogen 2.535 N/A ARG 84.A NE ALA 85.A O no hydrogen 2.885 N/A ARG 84.A NH1 THR 344.A OG1 no hydrogen 3.424 N/A THR 87.A OG1 GLU 89.A OE1 no hydrogen 3.252 N/A THR 87.A OG1 GLN 90.A OE1 no hydrogen 3.191 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.787 N/A GLN 90.A N THR 87.A OG1 no hydrogen 2.866 N/A VAL 94.A N ILE 49.A O no hydrogen 2.578 N/A TYR 95.A N ILE 83.A O no hydrogen 2.744 N/A ILE 96.A N LYS 47.A O no hydrogen 3.178 N/A VAL 97.A N ASP 81.A O no hydrogen 2.749 N/A GLN 98.A N ALA 45.A O no hydrogen 2.706 N/A GLN 98.A NE2 GLY 78.A O no hydrogen 3.152 N/A THR 103.A N LEU 150.A O no hydrogen 3.065 N/A THR 103.A OG1 ASP 104.A O no hydrogen 3.095 N/A ASP 104.A N THR 103.A OG1 no hydrogen 2.404 N/A LEU 105.A N LEU 148.A O no hydrogen 2.865 N/A LYS 107.A N ASP 104.A OD1 no hydrogen 2.552 N/A LEU 108.A N ASP 104.A O no hydrogen 2.863 N/A LEU 109.A N LEU 105.A O no hydrogen 2.806 N/A LYS 110.A N TYR 106.A O no hydrogen 3.135 N/A LYS 110.A N LYS 107.A O no hydrogen 3.038 N/A THR 111.A N LEU 108.A O no hydrogen 3.100 N/A GLN 112.A N LEU 108.A O no hydrogen 2.944 N/A GLN 112.A NE2 THR 111.A OG1 no hydrogen 3.162 N/A SER 115.A OG HIS 118.A ND1 no hydrogen 2.741 N/A HIS 118.A N SER 115.A OG no hydrogen 3.075 N/A HIS 118.A ND1 SER 115.A OG no hydrogen 2.741 N/A ILE 119.A N SER 115.A O no hydrogen 2.711 N/A CYS 120.A N ASN 116.A O no hydrogen 2.743 N/A CYS 120.A SG TYR 305.A O no hydrogen 3.243 N/A TYR 121.A N ASP 117.A O no hydrogen 3.413 N/A PHE 122.A N HIS 118.A O no hydrogen 3.165 N/A LEU 123.A N ILE 119.A O no hydrogen 2.948 N/A TYR 124.A N CYS 120.A O no hydrogen 2.893 N/A TYR 124.A OH GLU 315.A OE2 no hydrogen 2.660 N/A GLN 125.A N TYR 121.A O no hydrogen 3.202 N/A GLN 125.A NE2 TYR 121.A O no hydrogen 3.113 N/A GLN 125.A NE2 CYS 154.A O no hydrogen 3.169 N/A ILE 126.A N PHE 122.A O no hydrogen 2.919 N/A LEU 127.A N LEU 123.A O no hydrogen 2.874 N/A ARG 128.A N TYR 124.A O no hydrogen 2.745 N/A ARG 128.A NE ASP 314.A O no hydrogen 2.875 N/A ARG 128.A NH1 GLU 74.A OE1 no hydrogen 3.366 N/A ARG 128.A NH1 ASN 75.A OD1 no hydrogen 2.772 N/A ARG 128.A NH2 GLU 74.A OE1 no hydrogen 3.509 N/A ARG 128.A NH2 ASP 314.A O no hydrogen 3.012 N/A GLY 129.A N GLN 125.A O no hydrogen 3.127 N/A LEU 130.A N ILE 126.A O no hydrogen 3.012 N/A LYS 131.A N LEU 127.A O no hydrogen 2.979 N/A LYS 131.A NZ GLU 315.A O no hydrogen 2.733 N/A TYR 132.A N GLY 129.A O no hydrogen 2.934 N/A ILE 133.A N GLY 129.A O no hydrogen 2.937 N/A HIS 134.A N LEU 130.A O no hydrogen 2.718 N/A HIS 134.A NE2 ASP 203.A OD2 no hydrogen 2.627 N/A SER 135.A N LYS 131.A O no hydrogen 2.913 N/A SER 135.A OG TYR 132.A O no hydrogen 2.661 N/A ALA 136.A N TYR 132.A O no hydrogen 3.241 N/A ALA 136.A N ILE 133.A O no hydrogen 3.212 N/A ASN 137.A N HIS 134.A O no hydrogen 2.925 N/A VAL 138.A N ILE 133.A O no hydrogen 3.215 N/A LEU 139.A N ARG 165.A O no hydrogen 2.825 N/A HIS 140.A N ASP 203.A OD2 no hydrogen 3.015 N/A HIS 140.A NE2 CYS 159.A O no hydrogen 2.938 N/A ARG 141.A N ASP 203.A OD1 no hydrogen 3.004 N/A ARG 141.A NE LEU 163.A O no hydrogen 3.306 N/A ARG 141.A NH1 GLY 197.A O no hydrogen 3.189 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.053 N/A LYS 144.A NZ THR 183.A OG1 no hydrogen 2.602 N/A ASN 147.A N LYS 144.A O no hydrogen 2.775 N/A LEU 148.A N PRO 145.A O no hydrogen 3.082 N/A LEU 149.A N LYS 157.A O no hydrogen 3.015 N/A LEU 150.A N THR 103.A O no hydrogen 2.977 N/A ASN 151.A N ASP 155.A O no hydrogen 3.318 N/A THR 153.A N ASN 151.A OD1 no hydrogen 2.754 N/A THR 153.A OG1 ASN 151.A OD1 no hydrogen 3.321 N/A CYS 154.A N ASN 151.A O no hydrogen 3.208 N/A ASP 155.A N ASN 151.A OD1 no hydrogen 3.284 N/A LEU 156.A N GLN 125.A OE1 no hydrogen 2.896 N/A LYS 157.A N LEU 149.A O no hydrogen 2.800 N/A LYS 157.A NZ GLU 74.A O no hydrogen 3.273 N/A ILE 158.A N ASN 75.A O no hydrogen 2.800 N/A CYS 159.A N ASN 147.A O no hydrogen 2.931 N/A CYS 159.A SG ASN 147.A O no hydrogen 3.398 N/A ALA 164.A N PHE 161.A O no hydrogen 3.274 N/A ARG 165.A N LEU 139.A O no hydrogen 2.981 N/A ARG 165.A NH2 ASP 329.A OD1 no hydrogen 2.693 N/A ALA 167.A N ASN 137.A O no hydrogen 2.680 N/A ASP 168.A N TYR 198.A O no hydrogen 2.949 N/A HIS 171.A N ASP 168.A O no hydrogen 3.296 N/A HIS 171.A N ASP 168.A OD1 no hydrogen 3.350 N/A THR 174.A OG1 THR 178.A OG1 no hydrogen 2.935 N/A LEU 177.A N MET 192.A O no hydrogen 3.053 N/A THR 178.A OG1 THR 174.A OG1 no hydrogen 2.935 N/A THR 178.A OG1 GLY 175.A O no hydrogen 2.726 N/A THR 183.A N ASP 142.A OD1 no hydrogen 3.237 N/A THR 183.A OG1 ASP 142.A OD1 no hydrogen 2.990 N/A TRP 185.A NE1 GLY 223.A O no hydrogen 3.205 N/A TYR 186.A N THR 183.A O no hydrogen 3.251 N/A TYR 186.A OH GLU 213.A OE1 no hydrogen 2.764 N/A TYR 186.A OH GLU 213.A OE2 no hydrogen 3.320 N/A ARG 187.A N ARG 184.A O no hydrogen 2.725 N/A ARG 187.A NE ALA 182.A O no hydrogen 2.478 N/A ARG 187.A NH2 ALA 182.A O no hydrogen 2.880 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.857 N/A ILE 191.A N ALA 188.A O no hydrogen 3.156 N/A MET 192.A N PRO 189.A O no hydrogen 3.096 N/A LEU 193.A N GLU 190.A O no hydrogen 3.244 N/A ASN 194.A N GLU 190.A O no hydrogen 2.813 N/A SER 195.A OG ASP 172.A OD2 no hydrogen 2.851 N/A LYS 196.A N ASP 172.A O no hydrogen 2.719 N/A LYS 196.A NZ HIS 171.A O no hydrogen 2.578 N/A LYS 196.A NZ HIS 173.A O no hydrogen 2.919 N/A GLY 197.A N SER 195.A OG no hydrogen 3.215 N/A TYR 198.A N ASP 172.A OD1 no hydrogen 2.479 N/A LYS 200.A NZ HIS 134.A O no hydrogen 3.076 N/A ILE 202.A N THR 199.A O no hydrogen 3.088 N/A ASP 203.A N LYS 200.A O no hydrogen 2.978 N/A TRP 205.A N SER 201.A O no hydrogen 3.264 N/A SER 206.A OG TYR 186.A O no hydrogen 2.718 N/A VAL 207.A N ASP 203.A O no hydrogen 3.056 N/A GLY 208.A N ILE 204.A O no hydrogen 3.065 N/A CYS 209.A N TRP 205.A O no hydrogen 3.028 N/A CYS 209.A SG TRP 185.A O no hydrogen 3.982 N/A CYS 209.A SG TRP 205.A O no hydrogen 3.496 N/A ILE 210.A N SER 206.A O no hydrogen 2.937 N/A LEU 211.A N VAL 207.A O no hydrogen 2.831 N/A ALA 212.A N GLY 208.A O no hydrogen 3.048 N/A GLU 213.A N CYS 209.A O no hydrogen 3.055 N/A MET 214.A N ILE 210.A O no hydrogen 2.932 N/A MET 214.A N LEU 211.A O no hydrogen 3.053 N/A LEU 215.A N LEU 211.A O no hydrogen 3.096 N/A LEU 215.A N ALA 212.A O no hydrogen 2.994 N/A SER 216.A N ALA 212.A O no hydrogen 3.023 N/A SER 216.A OG ALA 212.A O no hydrogen 3.184 N/A SER 216.A OG ARG 218.A O no hydrogen 3.034 N/A ASN 217.A N GLU 213.A O no hydrogen 2.604 N/A ASN 217.A ND2 LEU 109.A O no hydrogen 3.261 N/A ASN 217.A ND2 GLN 112.A O no hydrogen 3.283 N/A LYS 224.A N ASP 228.A OD2 no hydrogen 2.576 N/A TYR 226.A OH THR 178.A O no hydrogen 2.875 N/A GLN 229.A NE2 PHE 221.A O no hydrogen 2.722 N/A LEU 230.A N LEU 227.A O no hydrogen 3.137 N/A ASN 231.A N LEU 227.A O no hydrogen 3.266 N/A HIS 232.A N ASP 228.A O no hydrogen 2.809 N/A HIS 232.A ND1 ASP 228.A O no hydrogen 3.219 N/A ILE 233.A N GLN 229.A O no hydrogen 3.167 N/A LEU 234.A N LEU 230.A O no hydrogen 2.909 N/A GLY 235.A N ASN 231.A O no hydrogen 3.198 N/A GLY 235.A N HIS 232.A O no hydrogen 3.084 N/A ILE 236.A N ILE 233.A O no hydrogen 3.261 N/A LEU 237.A N ILE 233.A O no hydrogen 3.127 N/A GLY 238.A N LEU 234.A O no hydrogen 2.995 N/A SER 239.A N LYS 263.A O no hydrogen 2.795 N/A SER 239.A OG LYS 263.A O no hydrogen 3.029 N/A ASP 244.A N SER 241.A OG no hydrogen 3.366 N/A LEU 245.A N SER 241.A O no hydrogen 2.961 N/A ASN 246.A N GLN 242.A O no hydrogen 2.856 N/A CYS 247.A N GLU 243.A O no hydrogen 3.163 N/A CYS 247.A SG GLU 243.A O no hydrogen 3.929 N/A CYS 247.A SG ASN 290.A OD1 no hydrogen 2.883 N/A CYS 247.A SG HIS 292.A ND1 no hydrogen 3.681 N/A ILE 248.A N LEU 245.A O no hydrogen 3.096 N/A ALA 253.A N ASN 250.A OD1 no hydrogen 3.000 N/A ARG 254.A N ASN 250.A O no hydrogen 3.208 N/A ASN 255.A N LEU 251.A O no hydrogen 2.789 N/A TYR 256.A N LYS 252.A O no hydrogen 3.164 N/A TYR 256.A OH ASN 231.A OD1 no hydrogen 2.943 N/A LEU 257.A N ALA 253.A O no hydrogen 3.049 N/A LEU 258.A N ARG 254.A O no hydrogen 2.943 N/A SER 259.A N ASN 255.A O no hydrogen 2.986 N/A SER 259.A N TYR 256.A O no hydrogen 3.066 N/A SER 259.A OG TYR 256.A O no hydrogen 2.675 N/A LEU 260.A N LEU 257.A O no hydrogen 3.361 N/A LYS 263.A N SER 239.A OG no hydrogen 2.726 N/A LYS 263.A NZ PRO 261.A O no hydrogen 3.563 N/A VAL 266.A N ILE 236.A O no hydrogen 2.816 N/A TRP 268.A NE1 ASP 284.A OD1 no hydrogen 2.974 N/A ARG 270.A N PRO 267.A O no hydrogen 3.141 N/A LEU 271.A N TRP 268.A O no hydrogen 2.623 N/A PHE 272.A N TRP 268.A O no hydrogen 2.694 N/A LYS 278.A N ASP 276.A OD1 no hydrogen 2.820 N/A LEU 280.A N ASP 276.A O no hydrogen 3.320 N/A ASP 281.A N SER 277.A O no hydrogen 3.184 N/A ASP 281.A N LYS 278.A O no hydrogen 3.189 N/A LEU 282.A N LYS 278.A O no hydrogen 3.173 N/A LEU 283.A N ALA 279.A O no hydrogen 2.757 N/A ASP 284.A N LEU 280.A O no hydrogen 2.977 N/A LYS 285.A N ASP 281.A O no hydrogen 3.330 N/A LYS 285.A NZ ASP 281.A O no hydrogen 3.557 N/A LYS 285.A NZ ASP 281.A OD2 no hydrogen 2.692 N/A MET 286.A N LEU 282.A O no hydrogen 2.990 N/A LEU 287.A N LEU 283.A O no hydrogen 2.969 N/A THR 288.A OG1 ASP 284.A O no hydrogen 3.357 N/A THR 288.A OG1 LYS 285.A O no hydrogen 2.809 N/A ASN 290.A ND2 HIS 292.A ND1 no hydrogen 2.666 N/A LYS 293.A N ASN 290.A O no hydrogen 2.978 N/A LYS 293.A NZ GLU 243.A OE1 no hydrogen 3.370 N/A LYS 293.A NZ ASP 244.A OD1 no hydrogen 2.791 N/A ARG 294.A N ASN 290.A O no hydrogen 3.175 N/A ARG 294.A NE THR 288.A O no hydrogen 2.818 N/A ARG 294.A NH1 GLU 190.A OE2 no hydrogen 2.938 N/A ARG 294.A NH1 SER 201.A O no hydrogen 2.902 N/A ARG 294.A NH2 GLU 190.A OE1 no hydrogen 2.863 N/A ARG 294.A NH2 GLU 190.A OE2 no hydrogen 3.546 N/A ARG 294.A NH2 THR 288.A O no hydrogen 2.944 N/A ARG 294.A NH2 PHE 289.A O no hydrogen 3.131 N/A ILE 295.A N LYS 285.A O no hydrogen 3.289 N/A GLU 296.A N GLN 299.A OE1 no hydrogen 2.926 N/A ALA 300.A N GLU 296.A O no hydrogen 2.804 N/A LEU 301.A N VAL 297.A O no hydrogen 3.015 N/A ALA 302.A N GLU 298.A O no hydrogen 3.243 N/A ALA 302.A N GLN 299.A O no hydrogen 3.178 N/A HIS 303.A N ALA 300.A O no hydrogen 3.190 N/A HIS 303.A NE2 ASP 281.A OD2 no hydrogen 2.785 N/A TYR 305.A N HIS 303.A ND1 no hydrogen 3.128 N/A LEU 306.A N HIS 303.A O no hydrogen 2.697 N/A GLU 307.A N PRO 304.A O no hydrogen 3.113 N/A TYR 309.A N LEU 306.A O no hydrogen 2.922 N/A TYR 310.A N LEU 306.A O no hydrogen 2.855 N/A ASP 311.A N GLU 315.A OE2 no hydrogen 3.028 N/A SER 313.A N ASP 311.A OD1 no hydrogen 3.248 N/A SER 313.A OG ASP 311.A OD1 no hydrogen 2.780 N/A ASP 314.A N ASP 311.A O no hydrogen 2.788 N/A GLU 315.A N PRO 312.A O no hydrogen 3.335 N/A ALA 318.A N SER 135.A OG no hydrogen 2.616 N/A PHE 322.A N ALA 136.A O no hydrogen 2.633 N/A PHE 324.A N GLU 327.A OE2 no hydrogen 2.733 N/A MET 326.A N PHE 324.A O no hydrogen 2.506 N/A ASP 330.A N LEU 328.A O no hydrogen 2.908 N/A LEU 336.A N PRO 332.A O no hydrogen 3.110 N/A LYS 337.A N LYS 333.A O no hydrogen 3.328 N/A LYS 337.A NZ ILE 88.A O no hydrogen 2.953 N/A LYS 337.A NZ MET 91.A O no hydrogen 2.632 N/A GLU 338.A N GLU 334.A O no hydrogen 2.983 N/A LEU 339.A N LYS 335.A O no hydrogen 2.718 N/A ILE 340.A N LEU 336.A O no hydrogen 2.820 N/A PHE 341.A N LYS 337.A O no hydrogen 2.987 N/A GLU 342.A N GLU 338.A O no hydrogen 3.086 N/A GLU 343.A N LEU 339.A O no hydrogen 2.881 N/A THR 344.A N ILE 340.A O no hydrogen 3.147 N/A THR 344.A OG1 ILE 340.A O no hydrogen 2.794 N/A THR 344.A OG1 PHE 341.A O no hydrogen 2.894 N/A ALA 345.A N GLU 342.A O no hydrogen 3.045 N/A ARG 346.A NE GLU 343.A O no hydrogen 3.169 N/A ARG 346.A NH2 GLU 343.A O no hydrogen 3.101 N/A PHE 347.A N THR 344.A O no hydrogen 3.351 N/A GLN 348.A N ALA 345.A O no hydrogen 2.937 N/A