Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aqj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ASN 85.A OD1 no hydrogen 3.205 N/A VAL 7.A N PRO 4.A O no hydrogen 2.832 N/A VAL 8.A N PRO 4.A O no hydrogen 3.115 N/A ASP 9.A N PRO 5.A O no hydrogen 2.859 N/A PHE 10.A N GLU 6.A O no hydrogen 3.071 N/A MET 11.A N VAL 7.A O no hydrogen 2.946 N/A VAL 12.A N VAL 8.A O no hydrogen 3.009 N/A SER 13.A N ASP 9.A O no hydrogen 3.183 N/A SER 13.A N PHE 10.A O no hydrogen 3.242 N/A SER 13.A OG PHE 10.A O no hydrogen 2.705 N/A LEU 14.A N MET 11.A O no hydrogen 3.333 N/A ALA 15.A N MET 11.A O no hydrogen 3.100 N/A ALA 15.A N VAL 12.A O no hydrogen 3.251 N/A GLY 20.A N GLY 44.A O no hydrogen 2.536 N/A GLY 21.A N PRO 18.A O no hydrogen 2.748 N/A ARG 22.A N ASP 80.A OD1 no hydrogen 2.910 N/A VAL 23.A N ARG 46.A O no hydrogen 2.620 N/A LEU 24.A N LEU 81.A O no hydrogen 3.039 N/A GLU 25.A N VAL 48.A O no hydrogen 3.064 N/A CYS 28.A N VAL 50.A O no hydrogen 3.206 N/A CYS 28.A SG ALA 29.A O no hydrogen 3.561 N/A GLY 31.A N CYS 28.A O no hydrogen 3.074 N/A PHE 33.A N GLU 25.A OE1 no hydrogen 3.022 N/A LEU 34.A N GLU 25.A OE1 no hydrogen 3.065 N/A ARG 35.A N GLY 31.A O no hydrogen 3.150 N/A ARG 35.A NE HIS 30.A O no hydrogen 2.621 N/A ARG 35.A NH2 HIS 30.A O no hydrogen 3.038 N/A ARG 35.A NH2 ASP 58.A O no hydrogen 3.068 N/A ALA 36.A N PRO 32.A O no hydrogen 3.365 N/A PHE 37.A N PHE 33.A O no hydrogen 2.809 N/A ARG 38.A N LEU 34.A O no hydrogen 2.999 N/A GLU 39.A N ARG 35.A O no hydrogen 2.735 N/A ALA 40.A N PHE 37.A O no hydrogen 2.885 N/A HIS 41.A N PHE 37.A O no hydrogen 2.621 N/A HIS 41.A NE2 VAL 12.A O no hydrogen 2.759 N/A GLY 42.A N ARG 38.A O no hydrogen 3.001 N/A TYR 45.A N THR 43.A O no hydrogen 2.785 N/A TYR 45.A OH HIS 41.A O no hydrogen 2.803 N/A ARG 46.A N GLY 21.A O no hydrogen 2.786 N/A ARG 46.A NE GLU 77.A OE1 no hydrogen 3.179 N/A ARG 46.A NH2 GLU 77.A OE1 no hydrogen 3.159 N/A VAL 48.A N VAL 23.A O no hydrogen 2.834 N/A GLY 49.A N GLU 64.A O no hydrogen 2.854 N/A VAL 50.A N GLU 25.A O no hydrogen 3.246 N/A GLU 51.A N ILE 66.A O no hydrogen 2.849 N/A ILE 52.A N GLU 51.A OE2 no hydrogen 3.246 N/A ASP 53.A N GLU 51.A OE2 no hydrogen 3.121 N/A LYS 55.A N ASP 53.A OD1 no hydrogen 2.974 N/A ALA 56.A N ASP 53.A O no hydrogen 2.868 N/A LEU 57.A N ASP 53.A O no hydrogen 3.152 N/A ASP 58.A N ALA 29.A O no hydrogen 2.962 N/A ALA 63.A N PRO 60.A O no hydrogen 2.859 N/A GLU 64.A N PHE 47.A O no hydrogen 2.841 N/A ILE 66.A N GLY 49.A O no hydrogen 2.502 N/A ALA 68.A N GLU 51.A O no hydrogen 2.807 N/A LEU 71.A N ASP 69.A OD1 no hydrogen 3.281 N/A LEU 72.A N ASP 69.A O no hydrogen 2.896 N/A TRP 73.A N PHE 70.A O no hydrogen 3.304 N/A PHE 79.A N LEU 121.A O no hydrogen 2.492 N/A ASP 80.A N ARG 22.A O no hydrogen 3.190 N/A LEU 81.A N ARG 22.A O no hydrogen 3.214 N/A ILE 82.A N VAL 127.A O no hydrogen 2.834 N/A LEU 83.A N LEU 24.A O no hydrogen 2.980 N/A GLY 84.A N VAL 129.A O no hydrogen 3.150 N/A ASN 85.A ND2 VAL 131.A O no hydrogen 3.471 N/A TYR 88.A OH VAL 131.A O no hydrogen 2.711 N/A GLY 89.A N ASN 109.A OD1 no hydrogen 2.689 N/A TYR 97.A N VAL 93.A O no hydrogen 2.852 N/A TYR 97.A OH ASP 69.A OD1 no hydrogen 3.347 N/A TYR 97.A OH ASP 69.A OD2 no hydrogen 2.855 N/A LYS 98.A N LYS 94.A O no hydrogen 2.632 N/A LYS 98.A NZ ASP 95.A OD1 no hydrogen 3.144 N/A LYS 99.A N ASP 95.A O no hydrogen 3.247 N/A ALA 100.A N TYR 97.A O no hydrogen 2.814 N/A PHE 101.A N TYR 97.A O no hydrogen 2.988 N/A SER 102.A N GLU 116.A OE2 no hydrogen 3.033 N/A SER 102.A OG GLU 116.A OE2 no hydrogen 2.939 N/A THR 103.A N GLU 116.A OE1 no hydrogen 2.899 N/A THR 103.A OG1 TYR 108.A OH no hydrogen 2.804 N/A THR 103.A OG1 GLU 116.A OE1 no hydrogen 2.615 N/A TRP 104.A N PHE 101.A O no hydrogen 3.143 N/A LYS 105.A NZ GLU 140.A O no hydrogen 3.334 N/A TYR 108.A OH THR 103.A OG1 no hydrogen 2.804 N/A LEU 110.A N GLY 89.A O no hydrogen 2.672 N/A TYR 111.A N ASN 109.A OD1 no hydrogen 3.180 N/A TYR 111.A OH THR 135.A OG1 no hydrogen 2.769 N/A GLY 112.A N ASN 109.A O no hydrogen 2.893 N/A PHE 114.A N LEU 110.A O no hydrogen 3.101 N/A LEU 115.A N TYR 111.A O no hydrogen 3.194 N/A GLU 116.A N GLY 112.A O no hydrogen 3.051 N/A LYS 117.A N ALA 113.A O no hydrogen 2.919 N/A LYS 117.A NZ TRP 73.A O no hydrogen 2.771 N/A ALA 118.A N PHE 114.A O no hydrogen 2.627 N/A VAL 119.A N LEU 115.A O no hydrogen 2.798 N/A ARG 120.A N GLU 116.A O no hydrogen 3.145 N/A ARG 120.A N LYS 117.A O no hydrogen 2.745 N/A ARG 120.A NH2 SER 102.A OG no hydrogen 3.060 N/A LEU 121.A N LYS 117.A O no hydrogen 3.160 N/A LEU 121.A N ALA 118.A O no hydrogen 3.117 N/A LEU 122.A N VAL 119.A O no hydrogen 3.408 N/A LYS 123.A N PHE 79.A O no hydrogen 2.920 N/A LYS 123.A NZ ASP 80.A OD1 no hydrogen 3.520 N/A GLY 125.A N LYS 178.A O no hydrogen 2.960 N/A GLY 126.A N LYS 123.A O no hydrogen 2.598 N/A VAL 127.A N ASP 80.A O no hydrogen 2.819 N/A LEU 128.A N PHE 176.A O no hydrogen 2.736 N/A VAL 129.A N ILE 82.A O no hydrogen 2.810 N/A PHE 130.A N ILE 174.A O no hydrogen 3.126 N/A VAL 131.A N GLY 84.A O no hydrogen 3.311 N/A VAL 132.A N VAL 172.A O no hydrogen 2.952 N/A ALA 134.A N SER 170.A O no hydrogen 2.988 N/A THR 135.A OG1 TYR 111.A OH no hydrogen 2.769 N/A LEU 137.A N ALA 134.A O no hydrogen 3.049 N/A VAL 138.A N THR 135.A O no hydrogen 3.164 N/A LEU 139.A N THR 135.A O no hydrogen 2.993 N/A ALA 143.A N GLU 140.A O no hydrogen 3.013 N/A ARG 146.A N PHE 142.A O no hydrogen 2.980 N/A ARG 146.A NE GLY 208.A O no hydrogen 3.005 N/A ARG 146.A NH1 TRP 136.A O no hydrogen 2.965 N/A ARG 146.A NH1 LEU 139.A O no hydrogen 2.849 N/A GLU 147.A N ALA 143.A O no hydrogen 3.304 N/A PHE 148.A N LEU 144.A O no hydrogen 2.766 N/A LEU 149.A N LEU 145.A O no hydrogen 2.769 N/A ALA 150.A N ARG 146.A O no hydrogen 3.060 N/A ARG 151.A N GLU 147.A O no hydrogen 2.808 N/A ARG 151.A N PHE 148.A O no hydrogen 3.039 N/A GLU 152.A N PHE 148.A O no hydrogen 2.809 N/A GLY 153.A N LEU 149.A O no hydrogen 3.168 N/A LYS 154.A N GLN 177.A O no hydrogen 3.081 N/A LYS 154.A NZ SER 184.A OG no hydrogen 2.754 N/A THR 155.A N GLY 182.A O no hydrogen 3.079 N/A SER 156.A N ARG 175.A O no hydrogen 2.930 N/A VAL 157.A N SER 184.A O no hydrogen 2.931 N/A TYR 158.A N VAL 173.A O no hydrogen 2.785 N/A TYR 159.A N TRP 186.A O no hydrogen 2.965 N/A TYR 159.A OH SER 170.A OG no hydrogen 3.360 N/A TYR 159.A OH ASP 358.A OD1 no hydrogen 2.496 N/A LEU 160.A N ALA 171.A O no hydrogen 3.029 N/A GLY 161.A N ALA 171.A O no hydrogen 2.693 N/A LYS 167.A NZ GLU 162.A O no hydrogen 3.130 N/A LYS 167.A NZ PHE 164.A O no hydrogen 3.005 N/A SER 170.A OG TYR 159.A OH no hydrogen 3.360 N/A SER 170.A OG ASP 358.A OD1 no hydrogen 2.596 N/A ALA 171.A N GLY 161.A O no hydrogen 2.478 N/A VAL 172.A N VAL 132.A O no hydrogen 2.849 N/A VAL 173.A N TYR 158.A O no hydrogen 2.821 N/A ILE 174.A N PHE 130.A O no hydrogen 2.924 N/A ARG 175.A N SER 156.A O no hydrogen 2.924 N/A PHE 176.A N LEU 128.A O no hydrogen 2.794 N/A GLN 177.A N LYS 154.A O no hydrogen 3.014 N/A LYS 178.A N GLY 126.A O no hydrogen 2.820 N/A LYS 178.A NZ VAL 119.A O no hydrogen 2.979 N/A LYS 178.A NZ LEU 122.A O no hydrogen 2.988 N/A SER 179.A N GLN 177.A O no hydrogen 2.714 N/A LEU 183.A N TYR 203.A O no hydrogen 2.816 N/A SER 184.A N THR 155.A O no hydrogen 3.128 N/A SER 184.A OG GLU 202.A OE2 no hydrogen 3.168 N/A LEU 185.A N ALA 201.A O no hydrogen 2.709 N/A TRP 186.A N VAL 157.A O no hydrogen 2.776 N/A ASP 187.A N ILE 198.A O no hydrogen 2.621 N/A THR 188.A N ASP 187.A OD1 no hydrogen 2.904 N/A THR 188.A OG1 TYR 159.A O no hydrogen 2.539 N/A GLN 189.A N THR 196.A O no hydrogen 2.891 N/A THR 196.A N GLN 189.A O no hydrogen 3.175 N/A ILE 198.A N ASP 187.A O no hydrogen 2.695 N/A TRP 200.A N LEU 185.A O no hydrogen 2.694 N/A TRP 200.A NE1 GLU 214.A O no hydrogen 2.597 N/A ALA 201.A N LEU 185.A O no hydrogen 3.187 N/A TYR 203.A N LEU 183.A O no hydrogen 2.603 N/A TYR 203.A OH GLU 214.A OE2 no hydrogen 2.946 N/A TRP 206.A N TYR 203.A O no hydrogen 3.303 N/A TRP 206.A NE1 GLU 209.A O no hydrogen 2.861 N/A GLU 207.A N GLU 209.A OE2 no hydrogen 2.632 N/A ILE 211.A N LEU 137.A O no hydrogen 3.110 N/A ARG 212.A NH2 GLU 222.A OE1 no hydrogen 3.195 N/A ARG 212.A NH2 GLU 222.A OE2 no hydrogen 2.740 N/A PHE 213.A N LEU 355.A O no hydrogen 3.007 N/A THR 215.A OG1 GLU 217.A OE1 no hydrogen 2.811 N/A THR 218.A N THR 215.A OG1 no hydrogen 3.220 N/A THR 218.A OG1 THR 215.A OG1 no hydrogen 3.352 N/A ARG 219.A N THR 215.A O no hydrogen 2.996 N/A ARG 219.A NH2 GLU 214.A OE2 no hydrogen 3.418 N/A LYS 220.A N GLU 216.A O no hydrogen 2.993 N/A LEU 221.A N GLU 217.A O no hydrogen 2.989 N/A GLU 222.A N THR 218.A O no hydrogen 3.143 N/A ILE 223.A N ARG 219.A O no hydrogen 2.795 N/A SER 224.A N LYS 220.A O no hydrogen 2.844 N/A SER 224.A OG LYS 220.A O no hydrogen 3.429 N/A MET 226.A N VAL 373.A O no hydrogen 2.797 N/A LEU 228.A N LEU 371.A O no hydrogen 2.816 N/A GLY 229.A N GLU 369.A O no hydrogen 2.764 N/A ASP 230.A N PRO 227.A O no hydrogen 2.773 N/A LEU 231.A N LEU 228.A O no hydrogen 2.962 N/A PHE 232.A N LEU 228.A O no hydrogen 3.142 N/A HIS 233.A N LEU 327.A O no hydrogen 2.524 N/A ARG 235.A N HIS 325.A O no hydrogen 2.769 N/A ALA 238.A N TYR 294.A OH no hydrogen 3.022 N/A PHE 243.A N ARG 239.A O no hydrogen 3.354 N/A LYS 244.A N SER 240.A O no hydrogen 2.873 N/A LYS 245.A N GLU 242.A O no hydrogen 3.257 N/A HIS 246.A N PHE 243.A O no hydrogen 3.116 N/A HIS 246.A NE2 GLU 289.A OE1 no hydrogen 3.154 N/A VAL 249.A N HIS 246.A O no hydrogen 3.087 N/A ARG 250.A N TRP 281.A O no hydrogen 2.622 N/A VAL 258.A N MET 282.A O no hydrogen 2.584 N/A VAL 260.A N LEU 280.A O no hydrogen 3.151 N/A LEU 261.A N PRO 319.A O no hydrogen 2.825 N/A THR 262.A N ASN 265.A OD1 no hydrogen 3.087 N/A GLY 263.A N GLU 322.A OE2 no hydrogen 2.874 N/A ARG 264.A N THR 262.A OG1 no hydrogen 3.422 N/A ASN 265.A N THR 262.A O no hydrogen 2.894 N/A ASN 265.A ND2 ASP 272.A O no hydrogen 2.479 N/A ASN 265.A ND2 LYS 275.A O no hydrogen 2.557 N/A LEU 266.A N GLY 263.A O no hydrogen 2.993 N/A LYS 267.A N TRP 270.A O no hydrogen 2.816 N/A LYS 267.A NZ ARG 264.A O no hydrogen 2.975 N/A GLY 269.A N ALA 311.A O no hydrogen 2.775 N/A TRP 270.A N LYS 267.A O no hydrogen 3.287 N/A ASP 272.A N ASN 265.A O no hydrogen 2.657 N/A TYR 273.A OH ASP 314.A OD1 no hydrogen 2.825 N/A GLU 274.A N ASP 272.A OD1 no hydrogen 3.224 N/A ASN 276.A ND2 LEU 280.A O no hydrogen 2.994 N/A HIS 277.A ND1 ASN 265.A OD1 no hydrogen 3.266 N/A SER 278.A N ASN 276.A OD1 no hydrogen 2.891 N/A SER 278.A OG VAL 260.A O no hydrogen 2.449 N/A SER 278.A OG ASN 276.A OD1 no hydrogen 3.200 N/A GLY 279.A N ASN 276.A OD1 no hydrogen 2.508 N/A TRP 281.A N ARG 250.A O no hydrogen 2.661 N/A MET 282.A N VAL 258.A O no hydrogen 2.795 N/A ARG 286.A N PRO 283.A O no hydrogen 2.920 N/A ARG 286.A NE GLU 289.A OE1 no hydrogen 3.440 N/A ARG 286.A NE GLU 289.A OE2 no hydrogen 2.906 N/A ARG 286.A NH2 GLU 289.A OE1 no hydrogen 2.906 N/A ARG 286.A NH2 GLU 289.A OE2 no hydrogen 3.565 N/A ALA 287.A N LYS 284.A O no hydrogen 3.292 N/A GLU 289.A N ARG 286.A O no hydrogen 3.252 N/A LEU 290.A N ALA 287.A O no hydrogen 2.736 N/A ARG 291.A N ALA 287.A O no hydrogen 3.302 N/A ARG 291.A NH1 GLU 242.A OE2 no hydrogen 3.173 N/A ARG 291.A NH1 LEU 290.A O no hydrogen 2.703 N/A ARG 291.A NH2 GLU 242.A OE1 no hydrogen 3.082 N/A TYR 294.A N ARG 291.A O no hydrogen 2.897 N/A ALA 295.A N ASP 292.A O no hydrogen 3.059 N/A THR 296.A N PHE 293.A O no hydrogen 3.147 N/A HIS 298.A ND1 THR 296.A O no hydrogen 2.687 N/A HIS 298.A NE2 HIS 325.A ND1 no hydrogen 2.987 N/A VAL 300.A N ALA 312.A O no hydrogen 2.832 N/A VAL 301.A N PHE 324.A O no hydrogen 3.126 N/A ALA 302.A N VAL 310.A O no hydrogen 3.047 N/A HIS 303.A N GLU 323.A OE1 no hydrogen 2.779 N/A THR 304.A OG1 GLU 323.A OE1 no hydrogen 3.540 N/A THR 304.A OG1 GLU 323.A OE2 no hydrogen 2.816 N/A LYS 305.A NZ LEU 266.A O no hydrogen 2.683 N/A GLY 306.A N THR 304.A O no hydrogen 2.460 N/A THR 307.A OG1 VAL 360.A O no hydrogen 3.013 N/A VAL 309.A N GLN 349.A OE1 no hydrogen 3.113 N/A ALA 311.A N ASN 344.A OD1 no hydrogen 2.582 N/A ALA 312.A N VAL 300.A O no hydrogen 3.182 N/A ASP 314.A N HIS 298.A O no hydrogen 2.641 N/A ARG 316.A N TYR 273.A OH no hydrogen 3.404 N/A ARG 316.A NH1 TYR 318.A OH no hydrogen 3.451 N/A ALA 317.A N ASP 314.A O no hydrogen 3.381 N/A ALA 317.A N ASP 314.A OD1 no hydrogen 3.136 N/A TYR 318.A N ASP 314.A OD2 no hydrogen 2.990 N/A TRP 320.A NE1 ASP 314.A OD2 no hydrogen 2.856 N/A ARG 321.A N LEU 261.A O no hydrogen 2.904 N/A PHE 324.A N VAL 301.A O no hydrogen 2.816 N/A HIS 325.A N ARG 235.A O no hydrogen 3.186 N/A HIS 325.A ND1 HIS 298.A NE2 no hydrogen 2.987 N/A HIS 325.A NE2 GLU 322.A O no hydrogen 2.889 N/A LEU 326.A N LEU 299.A O no hydrogen 3.034 N/A LEU 327.A N HIS 233.A O no hydrogen 2.901 N/A LYS 329.A N LEU 231.A O no hydrogen 2.935 N/A LYS 329.A NZ GLY 229.A O no hydrogen 3.087 N/A VAL 332.A N LYS 329.A O no hydrogen 2.873 N/A ARG 333.A N PHE 379.A O no hydrogen 2.731 N/A ASP 335.A N TYR 377.A O no hydrogen 2.758 N/A SER 337.A OG ASP 335.A OD1 no hydrogen 3.528 N/A SER 338.A OG ASP 335.A O no hydrogen 3.058 N/A SER 338.A OG ASP 335.A OD2 no hydrogen 2.844 N/A LEU 339.A N ASP 335.A O no hydrogen 2.813 N/A VAL 340.A N PRO 336.A O no hydrogen 2.882 N/A GLN 341.A N SER 337.A O no hydrogen 3.117 N/A TRP 342.A N SER 338.A O no hydrogen 2.963 N/A TRP 342.A NE1 PRO 372.A O no hydrogen 2.790 N/A LEU 343.A N LEU 339.A O no hydrogen 2.931 N/A ASN 344.A N VAL 340.A O no hydrogen 3.131 N/A ASN 344.A ND2 ALA 311.A O no hydrogen 2.864 N/A SER 345.A N TRP 342.A O no hydrogen 2.920 N/A SER 345.A OG TRP 342.A O no hydrogen 2.517 N/A MET 348.A N SER 345.A OG no hydrogen 3.312 N/A GLN 349.A N SER 345.A O no hydrogen 3.117 N/A GLN 349.A NE2 VAL 309.A O no hydrogen 3.068 N/A GLN 349.A NE2 SER 345.A O no hydrogen 3.321 N/A LYS 350.A N GLU 346.A O no hydrogen 2.880 N/A HIS 351.A N ALA 347.A O no hydrogen 3.005 N/A VAL 352.A N MET 348.A O no hydrogen 3.157 N/A ARG 353.A N GLN 349.A O no hydrogen 2.886 N/A THR 354.A N LYS 350.A O no hydrogen 2.832 N/A THR 354.A OG1 LYS 350.A O no hydrogen 2.774 N/A LEU 355.A N HIS 351.A O no hydrogen 3.375 N/A TYR 356.A N VAL 352.A O no hydrogen 3.084 N/A ARG 357.A N ARG 353.A O no hydrogen 2.855 N/A ARG 357.A NH1 ASP 187.A OD1 no hydrogen 3.039 N/A ARG 357.A NH1 ASP 187.A OD2 no hydrogen 3.350 N/A ARG 357.A NH2 ASP 187.A OD2 no hydrogen 3.027 N/A PHE 359.A N TYR 356.A O no hydrogen 2.971 N/A HIS 362.A ND1 HIS 362.A O no hydrogen 2.781 N/A LEU 363.A N GLY 306.A O no hydrogen 3.135 N/A ARG 366.A NE GLU 140.A OE1 no hydrogen 2.800 N/A ARG 366.A NH1 GLU 369.A OE2 no hydrogen 3.332 N/A MET 367.A N THR 364.A OG1 no hydrogen 3.378 N/A LEU 368.A N THR 364.A O no hydrogen 2.812 N/A GLU 369.A N LEU 365.A O no hydrogen 2.741 N/A LEU 371.A N LEU 368.A O no hydrogen 2.999 N/A VAL 373.A N MET 226.A O no hydrogen 2.789 N/A GLU 376.A N GLU 376.A OE1 no hydrogen 2.903 N/A TYR 377.A N ARG 374.A O no hydrogen 3.159 N/A PHE 379.A N ARG 333.A O no hydrogen 2.745 N/A THR 381.A N GLY 331.A O no hydrogen 2.814 N/A