Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mq4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ILE 60.A O no hydrogen 3.126 N/A ILE 5.A N ALA 58.A O no hydrogen 2.752 N/A ASP 8.A N THR 55.A O no hydrogen 2.694 N/A VAL 9.A N THR 55.A O no hydrogen 3.341 N/A THR 10.A N LYS 90.A O no hydrogen 3.429 N/A LEU 11.A N GLY 57.A O no hydrogen 2.920 N/A GLY 12.A N GLY 93.A O no hydrogen 2.573 N/A GLY 13.A N ARG 59.A O no hydrogen 2.892 N/A LEU 14.A N ILE 95.A O no hydrogen 3.002 N/A PHE 15.A N LEU 61.A O no hydrogen 3.188 N/A VAL 17.A N PHE 15.A O no hydrogen 2.923 N/A HIS 18.A N ASP 62.A OD2 no hydrogen 3.187 N/A HIS 18.A ND1 ASP 62.A OD1 no hydrogen 2.747 N/A HIS 18.A NE2 GLU 264.A OE1 no hydrogen 2.775 N/A HIS 18.A NE2 GLU 264.A OE2 no hydrogen 2.852 N/A ALA 19.A N ASP 24.A O no hydrogen 3.171 N/A LYS 26.A N VAL 17.A O no hydrogen 2.501 N/A GLY 30.A N LYS 26.A O no hydrogen 3.077 N/A ILE 31.A N LYS 26.A O no hydrogen 3.239 N/A HIS 32.A N ARG 27.A O no hydrogen 3.251 N/A ARG 33.A N GLU 28.A O no hydrogen 3.311 N/A ARG 33.A NH2 GLU 291.A OE1 no hydrogen 2.990 N/A LEU 34.A N GLY 30.A O no hydrogen 2.918 N/A GLU 35.A N ILE 31.A O no hydrogen 2.927 N/A ALA 36.A N HIS 32.A O no hydrogen 2.845 N/A MET 37.A N LEU 34.A O no hydrogen 2.936 N/A LEU 38.A N LEU 34.A O no hydrogen 3.103 N/A TYR 39.A N GLU 35.A O no hydrogen 2.619 N/A ALA 40.A N ALA 36.A O no hydrogen 2.885 N/A LEU 41.A N MET 37.A O no hydrogen 3.058 N/A ASP 42.A N LEU 38.A O no hydrogen 2.860 N/A GLN 43.A N TYR 39.A O no hydrogen 2.919 N/A ILE 44.A N ALA 40.A O no hydrogen 2.917 N/A ASN 45.A N LEU 41.A O no hydrogen 2.980 N/A ASN 45.A ND2 LEU 56.A O no hydrogen 3.077 N/A SER 46.A N GLN 43.A O no hydrogen 3.208 N/A SER 46.A OG ASP 42.A O no hydrogen 2.728 N/A ASP 47.A N ILE 44.A O no hydrogen 3.209 N/A ASN 49.A N ASP 47.A OD1 no hydrogen 3.035 N/A LEU 51.A N HIS 309.A ND1 no hydrogen 2.961 N/A THR 55.A N ASP 8.A OD1 no hydrogen 2.753 N/A LEU 56.A N ASN 45.A OD1 no hydrogen 2.997 N/A GLY 57.A N VAL 9.A O no hydrogen 2.592 N/A ALA 58.A N ILE 5.A O no hydrogen 2.796 N/A ARG 59.A N LEU 11.A O no hydrogen 3.260 N/A ILE 60.A N ILE 3.A O no hydrogen 2.729 N/A LEU 61.A N GLY 13.A O no hydrogen 2.849 N/A THR 63.A N PHE 15.A O no hydrogen 3.131 N/A CYS 64.A N ASP 62.A OD2 no hydrogen 3.091 N/A CYS 64.A SG ASP 62.A OD1 no hydrogen 3.013 N/A SER 65.A OG HIS 18.A O no hydrogen 2.976 N/A ARG 66.A N THR 63.A O no hydrogen 3.368 N/A THR 68.A OG1 ASP 67.A OD1 no hydrogen 3.271 N/A ALA 70.A N ARG 66.A O no hydrogen 3.161 N/A LEU 71.A N ASP 67.A O no hydrogen 3.103 N/A GLU 72.A N THR 68.A O no hydrogen 3.277 N/A GLN 73.A N TYR 69.A O no hydrogen 3.041 N/A SER 74.A N ALA 70.A O no hydrogen 2.820 N/A SER 74.A OG ALA 70.A O no hydrogen 2.909 N/A THR 76.A N GLN 73.A O no hydrogen 2.855 N/A THR 76.A OG1 GLN 73.A O no hydrogen 3.273 N/A PHE 77.A N SER 74.A O no hydrogen 2.870 N/A VAL 78.A N LEU 75.A O no hydrogen 2.873 N/A GLN 79.A N THR 76.A O no hydrogen 3.388 N/A LEU 81.A N VAL 78.A O no hydrogen 2.950 N/A ILE 82.A N GLN 79.A O no hydrogen 2.858 N/A VAL 92.A N THR 10.A O no hydrogen 2.969 N/A VAL 94.A N PRO 116.A O no hydrogen 2.946 N/A ILE 95.A N GLY 12.A O no hydrogen 2.742 N/A GLY 96.A N ILE 118.A O no hydrogen 2.950 N/A ALA 97.A N SER 103.A OG no hydrogen 2.873 N/A SER 103.A N GLY 99.A O no hydrogen 3.226 N/A SER 103.A OG SER 122.A OG no hydrogen 2.696 N/A ILE 104.A N SER 100.A O no hydrogen 2.961 N/A MET 105.A N SER 101.A O no hydrogen 3.173 N/A VAL 106.A N VAL 102.A O no hydrogen 2.976 N/A ALA 107.A N SER 103.A O no hydrogen 2.658 N/A ASN 108.A N ILE 104.A O no hydrogen 2.975 N/A ILE 109.A N VAL 106.A O no hydrogen 3.282 N/A LEU 110.A N VAL 106.A O no hydrogen 3.000 N/A ARG 111.A N ALA 107.A O no hydrogen 2.968 N/A LEU 112.A N ILE 109.A O no hydrogen 3.171 N/A GLN 114.A N ARG 111.A O no hydrogen 3.291 N/A ILE 115.A N LEU 110.A O no hydrogen 3.078 N/A GLN 117.A N PHE 135.A O no hydrogen 3.198 N/A GLN 117.A NE2 GLY 96.A O no hydrogen 2.642 N/A ILE 118.A N VAL 94.A O no hydrogen 3.032 N/A SER 119.A N SER 137.A O no hydrogen 3.127 N/A SER 119.A OG ALA 97.A O no hydrogen 2.457 N/A TYR 120.A OH LEU 14.A O no hydrogen 2.834 N/A ALA 121.A N SER 119.A OG no hydrogen 3.211 N/A SER 122.A N SER 119.A OG no hydrogen 3.038 N/A SER 122.A OG ALA 97.A O no hydrogen 3.375 N/A SER 122.A OG SER 103.A OG no hydrogen 2.696 N/A THR 123.A OG1 ASP 143.A OD1 no hydrogen 3.399 N/A ALA 124.A N SER 100.A OG no hydrogen 2.944 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 3.097 N/A SER 128.A N PRO 125.A O no hydrogen 3.253 N/A SER 128.A OG PRO 125.A O no hydrogen 3.522 N/A SER 128.A OG ASP 354.A OD2 no hydrogen 3.117 N/A ASP 129.A N GLU 126.A O no hydrogen 3.239 N/A ASP 130.A N SER 128.A O no hydrogen 3.120 N/A ARG 132.A N ASP 129.A OD2 no hydrogen 3.119 N/A TYR 133.A N ASP 129.A O no hydrogen 2.793 N/A PHE 136.A N TYR 133.A O no hydrogen 2.874 N/A SER 137.A N GLN 117.A O no hydrogen 3.171 N/A ARG 138.A N GLY 353.A O no hydrogen 3.014 N/A ARG 138.A NE ASP 354.A OD1 no hydrogen 2.745 N/A ARG 138.A NH1 SER 122.A O no hydrogen 3.041 N/A ARG 138.A NH1 ALA 124.A O no hydrogen 3.015 N/A ARG 138.A NH2 ALA 124.A O no hydrogen 2.868 N/A ARG 138.A NH2 SER 128.A OG no hydrogen 2.796 N/A VAL 139.A N SER 119.A O no hydrogen 2.915 N/A ASP 143.A N THR 123.A O no hydrogen 3.036 N/A PHE 145.A N PRO 142.A O no hydrogen 3.016 N/A GLN 146.A N ASP 143.A O no hydrogen 3.262 N/A GLN 148.A N SER 144.A O no hydrogen 3.001 N/A ALA 149.A N PHE 145.A O no hydrogen 3.045 N/A MET 150.A N GLN 146.A O no hydrogen 3.079 N/A VAL 151.A N ALA 147.A O no hydrogen 2.970 N/A ASP 152.A N GLN 148.A O no hydrogen 3.223 N/A ILE 153.A N ALA 149.A O no hydrogen 2.999 N/A VAL 154.A N MET 150.A O no hydrogen 3.149 N/A LYS 155.A N VAL 151.A O no hydrogen 2.860 N/A ALA 156.A N ASP 152.A O no hydrogen 2.983 N/A LEU 157.A N ILE 153.A O no hydrogen 2.999 N/A GLY 158.A N LYS 155.A O no hydrogen 3.238 N/A TRP 159.A N VAL 154.A O no hydrogen 3.212 N/A TYR 161.A N TRP 159.A O no hydrogen 2.894 N/A VAL 162.A N SER 184.A O no hydrogen 3.378 N/A SER 163.A N ALA 207.A O no hydrogen 2.967 N/A LEU 165.A N VAL 209.A O no hydrogen 3.225 N/A TYR 168.A OH GLN 146.A OE1 no hydrogen 3.140 N/A GLU 170.A N GLY 166.A O no hydrogen 3.480 N/A GLY 172.A N TYR 168.A O no hydrogen 3.183 N/A GLU 174.A N GLU 170.A O no hydrogen 2.759 N/A SER 175.A N LYS 171.A O no hydrogen 3.078 N/A PHE 176.A N GLY 172.A O no hydrogen 2.903 N/A THR 177.A N VAL 173.A O no hydrogen 3.072 N/A THR 177.A OG1 VAL 173.A O no hydrogen 2.817 N/A THR 177.A OG1 GLU 174.A O no hydrogen 2.900 N/A GLN 178.A N GLU 174.A O no hydrogen 3.132 N/A SER 184.A N ASN 160.A O no hydrogen 3.100 N/A ALA 186.A N VAL 162.A O no hydrogen 3.178 N/A SER 188.A OG THR 164.A OG1 no hydrogen 2.805 N/A LYS 201.A N ASP 197.A O no hydrogen 2.987 N/A GLN 202.A N ARG 198.A O no hydrogen 3.128 N/A ASP 205.A N LEU 203.A O no hydrogen 2.812 N/A VAL 208.A N LEU 224.A O no hydrogen 3.015 N/A VAL 209.A N SER 163.A O no hydrogen 2.752 N/A ILE 210.A N VAL 226.A O no hydrogen 2.779 N/A GLN 219.A N ASP 216.A O no hydrogen 3.310 N/A VAL 226.A N VAL 208.A O no hydrogen 2.774 N/A GLY 227.A N ILE 232.A O no hydrogen 2.929 N/A SER 228.A N ILE 210.A O no hydrogen 3.110 N/A GLY 230.A N TYR 364.A O no hydrogen 3.153 N/A ILE 232.A N TRP 225.A O no hydrogen 2.946 N/A THR 233.A N PHE 362.A O no hydrogen 2.806 N/A GLN 235.A N ASP 360.A O no hydrogen 3.111 N/A LYS 237.A N ARG 358.A O no hydrogen 3.288 N/A LYS 237.A NZ ASP 360.A OD1 no hydrogen 3.173 N/A LYS 237.A NZ ASP 360.A OD2 no hydrogen 3.066 N/A VAL 241.A N GLN 290.A OE1 no hydrogen 3.027 N/A PHE 244.A N VAL 241.A O no hydrogen 3.036 N/A ASP 245.A N VAL 241.A O no hydrogen 3.309 N/A ALA 246.A N GLU 242.A O no hydrogen 3.248 N/A TYR 247.A OH GLU 35.A OE2 no hydrogen 2.724 N/A PHE 248.A N PHE 244.A O no hydrogen 2.946 N/A THR 249.A N ASP 245.A O no hydrogen 3.043 N/A THR 249.A OG1 ASP 245.A O no hydrogen 2.646 N/A SER 250.A N ALA 246.A O no hydrogen 3.137 N/A SER 250.A OG ALA 246.A O no hydrogen 2.731 N/A SER 250.A OG TYR 247.A O no hydrogen 2.817 N/A ARG 251.A N PHE 248.A O no hydrogen 3.032 N/A ARG 251.A NE TYR 247.A O no hydrogen 2.634 N/A ARG 251.A NH2 SER 250.A OG no hydrogen 2.761 N/A THR 252.A N ASN 255.A OD1 no hydrogen 2.885 N/A ASN 255.A ND2 SER 250.A O no hydrogen 3.037 N/A ASN 256.A ND2 GLU 35.A OE1 no hydrogen 2.643 N/A ARG 258.A NH1 TYR 247.A OH no hydrogen 2.898 N/A ASN 259.A N ASN 256.A O no hydrogen 3.388 N/A ASN 259.A ND2 GLU 35.A OE1 no hydrogen 2.837 N/A TRP 261.A N ASN 259.A OD1 no hydrogen 2.963 N/A PHE 262.A N ASN 259.A O no hydrogen 2.941 N/A TYR 265.A N TRP 261.A O no hydrogen 2.969 N/A TRP 266.A N PHE 262.A O no hydrogen 2.758 N/A GLU 267.A N ALA 263.A O no hydrogen 3.257 N/A ASN 271.A N GLU 268.A O no hydrogen 3.177 N/A CYS 272.A N GLU 267.A O no hydrogen 3.239 N/A CYS 276.A SG GLU 280.A OE1 no hydrogen 3.621 N/A GLN 279.A N GLU 280.A OE2 no hydrogen 2.771 N/A LYS 284.A N ARG 281.A O no hydrogen 3.085 N/A ASP 285.A N ARG 281.A O no hydrogen 2.773 N/A TYR 288.A OH ASP 245.A OD2 no hydrogen 2.657 N/A GLN 290.A NE2 VAL 241.A O no hydrogen 2.962 N/A GLN 290.A NE2 ASP 245.A OD2 no hydrogen 2.747 N/A LYS 293.A N GLU 291.A OE1 no hydrogen 3.107 N/A VAL 294.A N GLU 291.A O no hydrogen 3.261 N/A VAL 297.A N LYS 293.A O no hydrogen 2.989 N/A VAL 297.A N VAL 294.A O no hydrogen 2.979 N/A ILE 298.A N VAL 294.A O no hydrogen 3.133 N/A ASP 299.A N GLN 295.A O no hydrogen 3.122 N/A ALA 300.A N PHE 296.A O no hydrogen 2.959 N/A VAL 301.A N VAL 297.A O no hydrogen 2.985 N/A TYR 302.A N ILE 298.A O no hydrogen 2.790 N/A ALA 303.A N ASP 299.A O no hydrogen 2.990 N/A MET 304.A N ALA 300.A O no hydrogen 3.383 N/A ALA 305.A N VAL 301.A O no hydrogen 2.948 N/A HIS 306.A N TYR 302.A O no hydrogen 2.834 N/A ALA 307.A N ALA 303.A O no hydrogen 2.993 N/A LEU 308.A N MET 304.A O no hydrogen 2.864 N/A HIS 309.A N ALA 305.A O no hydrogen 2.700 N/A HIS 310.A N HIS 306.A O no hydrogen 2.951 N/A MET 311.A N ALA 307.A O no hydrogen 3.254 N/A ASN 312.A N LEU 308.A O no hydrogen 3.105 N/A LYS 313.A N HIS 309.A O no hydrogen 3.152 N/A ASP 314.A N HIS 310.A O no hydrogen 3.136 N/A LEU 315.A N MET 311.A O no hydrogen 2.880 N/A CYS 316.A N ASN 312.A O no hydrogen 2.882 N/A CYS 316.A SG ASN 312.A OD1 no hydrogen 3.338 N/A CYS 319.A SG LEU 315.A O no hydrogen 3.222 N/A MET 322.A N CYS 319.A O no hydrogen 3.073 N/A GLU 323.A N CYS 319.A O no hydrogen 3.238 N/A ALA 325.A N MET 322.A O no hydrogen 3.285 N/A LYS 329.A N GLY 326.A O no hydrogen 2.936 N/A LEU 330.A N GLY 326.A O no hydrogen 3.270 N/A LEU 331.A N GLY 327.A O no hydrogen 2.683 N/A TYR 333.A N LYS 329.A O no hydrogen 3.483 N/A TYR 333.A OH ASP 314.A OD2 no hydrogen 2.804 N/A ILE 334.A N LEU 330.A O no hydrogen 2.813 N/A ARG 335.A N LEU 331.A O no hydrogen 2.690 N/A ARG 335.A NE SER 137.A OG no hydrogen 2.817 N/A ARG 335.A NH2 SER 137.A OG no hydrogen 3.133 N/A ASN 336.A N LYS 332.A O no hydrogen 3.049 N/A VAL 337.A N ILE 334.A O no hydrogen 3.191 N/A PHE 339.A N VAL 347.A O no hydrogen 3.331 N/A GLY 341.A N THR 345.A O no hydrogen 2.778 N/A SER 342.A N ASP 299.A OD1 no hydrogen 2.988 N/A SER 342.A OG GLN 295.A O no hydrogen 3.276 N/A SER 342.A OG ASP 299.A OD1 no hydrogen 3.040 N/A GLY 344.A N GLY 341.A O no hydrogen 3.056 N/A VAL 347.A N PHE 339.A O no hydrogen 2.569 N/A ASN 350.A N ASP 354.A O no hydrogen 2.654 N/A ASN 352.A ND2 SER 128.A O no hydrogen 2.900 N/A GLY 353.A N ASN 350.A O no hydrogen 3.317 N/A ASP 354.A N ASN 350.A OD1 no hydrogen 2.758 N/A TYR 359.A N TRP 375.A O no hydrogen 2.957 N/A ASP 360.A N GLN 235.A O no hydrogen 2.823 N/A ILE 361.A N GLY 373.A O no hydrogen 2.775 N/A PHE 362.A N THR 233.A O no hydrogen 3.094 N/A GLN 363.A N ARG 370.A O no hydrogen 3.110 N/A GLN 363.A NE2 MET 386.A O no hydrogen 3.500 N/A TYR 364.A N ALA 231.A O no hydrogen 2.784 N/A GLN 365.A N GLN 363.A O no hydrogen 2.711 N/A ARG 370.A N GLN 363.A O no hydrogen 2.874 N/A ILE 372.A N ILE 361.A O no hydrogen 2.697 N/A GLN 374.A N LEU 381.A O no hydrogen 3.300 N/A TRP 375.A N TYR 359.A O no hydrogen 2.825 N/A TRP 375.A NE1 ASP 152.A OD2 no hydrogen 3.051 N/A THR 376.A N LEU 379.A O no hydrogen 2.987 N/A GLU 378.A N THR 376.A O no hydrogen 2.548 N/A LEU 379.A N THR 376.A O no hydrogen 2.674 N/A LEU 381.A N GLN 374.A O no hydrogen 2.993 N/A ILE 383.A N ILE 372.A O no hydrogen 3.030 N/A