Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uu1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N SER 2.A OG no hydrogen 3.212 N/A ILE 6.A N SER 2.A O no hydrogen 3.018 N/A LEU 7.A N TRP 3.A O no hydrogen 2.795 N/A GLY 8.A N PRO 4.A O no hydrogen 2.954 N/A ARG 9.A N GLN 5.A O no hydrogen 3.030 N/A ARG 9.A NH1 ASP 15.A O no hydrogen 2.863 N/A LEU 10.A N ILE 6.A O no hydrogen 2.957 N/A THR 11.A N LEU 7.A O no hydrogen 2.806 N/A THR 11.A OG1 LEU 7.A O no hydrogen 3.184 N/A THR 11.A OG1 GLY 8.A O no hydrogen 3.168 N/A ASP 12.A N GLY 8.A O no hydrogen 2.889 N/A ASN 13.A N LEU 10.A O no hydrogen 2.758 N/A ARG 14.A N ARG 9.A O no hydrogen 3.018 N/A LEU 16.A N GLU 54.A OE2 no hydrogen 2.623 N/A ALA 17.A N GLN 20.A OE1 no hydrogen 2.838 N/A GLY 19.A N GLU 57.A OE2 no hydrogen 2.735 N/A GLN 20.A N ALA 17.A O no hydrogen 2.938 N/A GLN 20.A NE2 GLN 5.A OE1 no hydrogen 3.245 N/A ALA 22.A N GLU 57.A OE1 no hydrogen 2.814 N/A TRP 23.A N GLY 19.A O no hydrogen 2.806 N/A ALA 24.A N GLN 20.A O no hydrogen 2.933 N/A MET 25.A N ALA 21.A O no hydrogen 2.871 N/A ASP 26.A N ALA 22.A O no hydrogen 2.834 N/A GLN 27.A N TRP 23.A O no hydrogen 2.891 N/A ILE 28.A N ALA 24.A O no hydrogen 2.915 N/A MET 29.A N MET 25.A O no hydrogen 2.830 N/A THR 30.A N ASP 26.A O no hydrogen 3.016 N/A THR 30.A OG1 ASP 26.A O no hydrogen 2.818 N/A THR 30.A OG1 GLN 27.A O no hydrogen 3.186 N/A THR 30.A OG1 ASN 32.A OD1 no hydrogen 2.957 N/A GLY 31.A N ILE 28.A O no hydrogen 3.376 N/A ASN 32.A N GLN 27.A O no hydrogen 3.066 N/A ARG 34.A N GLN 37.A OE1 no hydrogen 2.906 N/A ILE 38.A N ARG 34.A O no hydrogen 2.915 N/A ALA 39.A N PRO 35.A O no hydrogen 3.090 N/A ALA 40.A N ALA 36.A O no hydrogen 2.937 N/A PHE 41.A N GLN 37.A O no hydrogen 2.874 N/A ALA 42.A N ILE 38.A O no hydrogen 2.814 N/A VAL 43.A N ALA 39.A O no hydrogen 2.898 N/A ALA 44.A N ALA 40.A O no hydrogen 2.809 N/A MET 45.A N PHE 41.A O no hydrogen 2.859 N/A THR 46.A N ALA 42.A O no hydrogen 3.065 N/A THR 46.A OG1 ALA 42.A O no hydrogen 2.688 N/A MET 47.A N VAL 43.A O no hydrogen 2.834 N/A LYS 48.A N ALA 44.A O no hydrogen 2.923 N/A LYS 48.A NZ ASP 15.A OD1 no hydrogen 2.767 N/A LYS 48.A NZ ALA 49.A O no hydrogen 2.904 N/A LYS 48.A NZ GLU 54.A OE1 no hydrogen 2.616 N/A LYS 48.A NZ GLU 54.A OE2 no hydrogen 3.172 N/A ALA 49.A N MET 45.A O no hydrogen 3.110 N/A THR 51.A N GLU 54.A OE1 no hydrogen 3.026 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.122 N/A VAL 55.A N THR 51.A O no hydrogen 2.894 N/A GLY 56.A N ALA 52.A O no hydrogen 2.675 N/A GLU 57.A N ASP 53.A O no hydrogen 2.882 N/A LEU 58.A N GLU 54.A O no hydrogen 3.007 N/A ALA 59.A N VAL 55.A O no hydrogen 2.883 N/A GLY 60.A N GLY 56.A O no hydrogen 3.000 N/A VAL 61.A N GLU 57.A O no hydrogen 3.158 N/A MET 62.A N LEU 58.A O no hydrogen 3.150 N/A LEU 63.A N ALA 59.A O no hydrogen 2.825 N/A SER 64.A N GLY 60.A O no hydrogen 2.806 N/A SER 64.A OG GLY 60.A O no hydrogen 3.024 N/A HIS 65.A N VAL 61.A O no hydrogen 3.020 N/A HIS 65.A N MET 62.A O no hydrogen 3.057 N/A HIS 65.A NE2 ASP 26.A OD1 no hydrogen 2.758 N/A ALA 66.A N LEU 63.A O no hydrogen 3.311 N/A HIS 67.A N PHE 154.A O no hydrogen 2.950 N/A THR 73.A N PRO 70.A O no hydrogen 3.389 N/A THR 73.A OG1 PRO 70.A O no hydrogen 2.567 N/A ALA 78.A N PRO 75.A O no hydrogen 3.033 N/A VAL 79.A N PRO 108.A O no hydrogen 2.906 N/A ASP 80.A N ALA 188.A O no hydrogen 2.993 N/A VAL 82.A N LEU 190.A O no hydrogen 3.139 N/A THR 84.A N GLY 192.A O no hydrogen 2.726 N/A THR 84.A OG1 GLY 85.A O no hydrogen 2.966 N/A GLY 85.A N ASP 223.A OD2 no hydrogen 2.823 N/A THR 91.A OG1 VAL 92.A O no hydrogen 3.036 N/A VAL 92.A N LEU 261.A O no hydrogen 2.856 N/A LEU 94.A N VAL 92.A O no hydrogen 2.707 N/A SER 95.A OG GLU 224.A OE1 no hydrogen 2.805 N/A SER 95.A OG GLU 224.A OE2 no hydrogen 3.246 N/A MET 97.A N ASN 93.A O no hydrogen 3.093 N/A ALA 98.A N LEU 94.A O no hydrogen 2.877 N/A ALA 99.A N SER 95.A O no hydrogen 2.803 N/A ILE 100.A N THR 96.A O no hydrogen 3.171 N/A VAL 101.A N MET 97.A O no hydrogen 3.202 N/A VAL 102.A N ALA 98.A O no hydrogen 2.799 N/A ALA 103.A N ALA 99.A O no hydrogen 2.934 N/A ALA 104.A N ILE 100.A O no hydrogen 2.923 N/A ALA 105.A N VAL 101.A O no hydrogen 2.890 N/A GLY 106.A N ALA 103.A O no hydrogen 2.915 N/A VAL 107.A N VAL 102.A O no hydrogen 3.236 N/A VAL 109.A N GLY 145.A O no hydrogen 3.220 N/A VAL 110.A N VAL 79.A O no hydrogen 2.920 N/A LYS 111.A N GLY 147.A O no hydrogen 2.826 N/A LYS 111.A NZ VAL 81.A O no hydrogen 2.757 N/A LYS 111.A NZ HIS 112.A O no hydrogen 2.841 N/A HIS 112.A N ASP 80.A OD1 no hydrogen 3.050 N/A HIS 112.A ND1 GLY 178.A O no hydrogen 2.753 N/A GLY 113.A N CYS 149.A O no hydrogen 3.052 N/A ARG 115.A N ASN 114.A OD1 no hydrogen 2.907 N/A ARG 115.A NH2 GLU 124.A OE1 no hydrogen 3.353 N/A ALA 116.A N ASP 121.A OD2 no hydrogen 2.832 N/A SER 117.A OG THR 122.A OG1 no hydrogen 2.968 N/A GLY 118.A N ASP 121.A OD2 no hydrogen 2.780 N/A ALA 120.A N ASN 114.A O no hydrogen 3.181 N/A THR 122.A N GLY 118.A O no hydrogen 3.002 N/A THR 122.A OG1 SER 117.A OG no hydrogen 2.968 N/A THR 122.A OG1 GLY 118.A O no hydrogen 3.349 N/A LEU 123.A N GLY 119.A O no hydrogen 2.974 N/A GLU 124.A N ALA 120.A O no hydrogen 3.003 N/A ALA 125.A N ASP 121.A O no hydrogen 2.989 N/A LEU 126.A N THR 122.A O no hydrogen 2.986 N/A GLY 127.A N GLU 124.A O no hydrogen 2.838 N/A VAL 128.A N LEU 123.A O no hydrogen 2.846 N/A ARG 129.A NE ASP 131.A OD1 no hydrogen 3.058 N/A ARG 129.A NE ASP 131.A OD2 no hydrogen 3.385 N/A VAL 137.A N GLY 133.A O no hydrogen 2.910 N/A ALA 138.A N PRO 134.A O no hydrogen 2.918 N/A ARG 139.A N ASP 135.A O no hydrogen 2.986 N/A ARG 139.A NE GLU 143.A OE2 no hydrogen 3.239 N/A ARG 139.A NH2 GLU 143.A OE1 no hydrogen 3.522 N/A ARG 139.A NH2 GLU 143.A OE2 no hydrogen 2.919 N/A SER 140.A N LEU 136.A O no hydrogen 2.834 N/A SER 140.A OG ILE 146.A O no hydrogen 2.722 N/A LEU 141.A N VAL 137.A O no hydrogen 2.861 N/A ALA 142.A N ALA 138.A O no hydrogen 2.984 N/A GLU 143.A N ARG 139.A O no hydrogen 2.767 N/A VAL 144.A N SER 140.A O no hydrogen 2.752 N/A GLY 145.A N LEU 141.A O no hydrogen 2.925 N/A GLY 147.A N VAL 109.A O no hydrogen 2.877 N/A CYS 149.A N LYS 111.A O no hydrogen 2.707 N/A ALA 151.A N GLY 113.A O no hydrogen 2.780 N/A ARG 153.A NH1 ARG 153.A O no hydrogen 2.967 N/A PHE 154.A N PHE 150.A O no hydrogen 3.300 N/A PHE 154.A N ALA 151.A O no hydrogen 3.208 N/A HIS 155.A N ALA 151.A O no hydrogen 2.881 N/A HIS 155.A NE2 THR 181.A O no hydrogen 2.734 N/A TYR 158.A N HIS 155.A O no hydrogen 3.004 N/A ARG 159.A N PRO 156.A O no hydrogen 3.344 N/A ALA 162.A N TYR 158.A O no hydrogen 2.899 N/A ALA 163.A N ARG 159.A O no hydrogen 3.080 N/A VAL 164.A N HIS 160.A O no hydrogen 3.164 N/A ARG 165.A N ALA 161.A O no hydrogen 2.830 N/A ARG 165.A NH1 TYR 158.A OH no hydrogen 2.915 N/A ARG 166.A N ALA 162.A O no hydrogen 2.974 N/A GLU 167.A N ALA 163.A O no hydrogen 2.953 N/A ILE 168.A N VAL 164.A O no hydrogen 2.973 N/A GLY 169.A N ARG 165.A O no hydrogen 3.023 N/A VAL 173.A N THR 46.A OG1 no hydrogen 2.825 N/A PHE 174.A N THR 172.A OG1 no hydrogen 3.066 N/A ASN 175.A N THR 172.A O no hydrogen 2.810 N/A ASN 175.A ND2 THR 172.A O no hydrogen 3.283 N/A LEU 176.A N VAL 173.A O no hydrogen 3.002 N/A LEU 177.A N PHE 174.A O no hydrogen 3.125 N/A LEU 180.A N LEU 177.A O no hydrogen 2.950 N/A THR 181.A N GLY 178.A O no hydrogen 3.201 N/A THR 181.A OG1 LEU 177.A O no hydrogen 2.622 N/A THR 181.A OG1 GLY 178.A O no hydrogen 3.255 N/A ASN 182.A ND2 ASP 80.A OD2 no hydrogen 2.746 N/A ASN 182.A ND2 VAL 110.A O no hydrogen 2.800 N/A ALA 184.A N ASN 182.A OD1 no hydrogen 2.984 N/A ARG 185.A N ASN 182.A O no hydrogen 2.927 N/A ARG 185.A NH2 LEU 63.A O no hydrogen 3.383 N/A ARG 187.A NH1 ASP 76.A O no hydrogen 3.246 N/A ARG 187.A NH1 ASP 76.A OD1 no hydrogen 3.238 N/A ALA 188.A N ALA 78.A O no hydrogen 3.389 N/A GLY 189.A N SER 212.A O no hydrogen 3.161 N/A LEU 190.A N ASP 80.A O no hydrogen 2.887 N/A ILE 191.A N LEU 214.A O no hydrogen 2.758 N/A GLY 192.A N VAL 82.A O no hydrogen 2.922 N/A CYS 193.A N VAL 216.A O no hydrogen 2.949 N/A CYS 193.A SG PHE 195.A O no hydrogen 3.348 N/A ALA 194.A N THR 84.A OG1 no hydrogen 2.879 N/A LEU 198.A N PHE 195.A O no hydrogen 2.863 N/A MET 202.A N LEU 198.A O no hydrogen 3.051 N/A ALA 203.A N ALA 199.A O no hydrogen 2.946 N/A GLY 204.A N GLU 200.A O no hydrogen 2.904 N/A VAL 205.A N VAL 201.A O no hydrogen 3.092 N/A PHE 206.A N MET 202.A O no hydrogen 3.150 N/A ALA 207.A N ALA 203.A O no hydrogen 2.831 N/A ALA 208.A N GLY 204.A O no hydrogen 2.961 N/A ARG 209.A N VAL 205.A O no hydrogen 3.296 N/A ARG 209.A NH1 LEU 180.A O no hydrogen 3.136 N/A ARG 209.A NH2 LEU 180.A O no hydrogen 2.889 N/A ARG 210.A N ALA 207.A O no hydrogen 2.885 N/A SER 211.A N PHE 206.A O no hydrogen 2.950 N/A SER 212.A N ARG 187.A O no hydrogen 2.781 N/A SER 212.A OG ALA 298.A O no hydrogen 2.585 N/A VAL 213.A N VAL 236.A O no hydrogen 3.124 N/A LEU 214.A N GLY 189.A O no hydrogen 3.024 N/A VAL 215.A N TRP 234.A O no hydrogen 2.877 N/A VAL 216.A N ILE 191.A O no hydrogen 2.689 N/A HIS 217.A N THR 232.A O no hydrogen 2.826 N/A HIS 217.A ND1 CYS 193.A O no hydrogen 2.775 N/A GLY 218.A N LEU 222.A O no hydrogen 2.836 N/A ASP 219.A N THR 230.A O no hydrogen 2.845 N/A GLY 221.A N GLY 218.A O no hydrogen 2.579 N/A LEU 222.A N ASP 220.A OD1 no hydrogen 2.995 N/A ASP 223.A N ASP 87.A OD2 no hydrogen 3.081 N/A LEU 225.A N ASN 291.A OD1 no hydrogen 2.989 N/A THR 226.A N SER 231.A OG no hydrogen 3.085 N/A THR 226.A OG1 ASP 220.A OD2 no hydrogen 2.493 N/A THR 228.A N THR 226.A OG1 no hydrogen 3.296 N/A THR 228.A OG1 ASP 220.A OD2 no hydrogen 2.476 N/A THR 230.A N THR 229.A OG1 no hydrogen 2.619 N/A THR 230.A OG1 ASP 219.A OD2 no hydrogen 2.557 N/A SER 231.A N PHE 246.A O no hydrogen 2.773 N/A THR 232.A N HIS 217.A O no hydrogen 2.617 N/A THR 232.A OG1 ASP 219.A OD1 no hydrogen 2.812 N/A ILE 233.A N LEU 244.A O no hydrogen 2.884 N/A TRP 234.A N VAL 215.A O no hydrogen 2.695 N/A ARG 235.A N ASP 242.A O no hydrogen 2.703 N/A VAL 236.A N VAL 213.A O no hydrogen 2.803 N/A ALA 237.A N SER 240.A O no hydrogen 3.106 N/A SER 240.A N ALA 237.A O no hydrogen 3.140 N/A SER 240.A OG ALA 237.A O no hydrogen 3.308 N/A ASP 242.A N ARG 235.A O no hydrogen 2.799 N/A LEU 244.A N ILE 233.A O no hydrogen 2.897 N/A PHE 246.A N SER 231.A O no hydrogen 2.790 N/A ALA 249.A N ASP 247.A OD1 no hydrogen 3.382 N/A GLY 250.A N ASP 247.A O no hydrogen 3.092 N/A PHE 251.A N PRO 248.A O no hydrogen 2.670 N/A GLY 252.A N ALA 249.A O no hydrogen 2.970 N/A PHE 253.A N PRO 248.A O no hydrogen 3.350 N/A ARG 255.A NH1 ASP 247.A OD1 no hydrogen 2.746 N/A ARG 255.A NH2 ASP 247.A OD1 no hydrogen 2.762 N/A ARG 255.A NH2 ASP 247.A OD2 no hydrogen 3.398 N/A ALA 256.A N THR 227.A O no hydrogen 3.096 N/A GLN 257.A N GLN 260.A OE1 no hydrogen 2.707 N/A GLN 260.A N GLN 257.A O no hydrogen 2.720 N/A LEU 261.A N LEU 258.A O no hydrogen 2.893 N/A ALA 262.A N ASP 259.A O no hydrogen 3.252 N/A GLY 263.A N ASN 90.A O no hydrogen 2.622 N/A GLY 264.A N ASN 269.A OD1 no hydrogen 2.825 N/A ALA 268.A N ASP 265.A OD1 no hydrogen 2.987 N/A ASN 269.A N ASP 265.A O no hydrogen 2.943 N/A ASN 269.A ND2 SER 117.A O no hydrogen 3.541 N/A ALA 270.A N ALA 266.A O no hydrogen 2.822 N/A ALA 271.A N GLN 267.A O no hydrogen 2.983 N/A ALA 272.A N ALA 268.A O no hydrogen 2.892 N/A VAL 273.A N ASN 269.A O no hydrogen 3.066 N/A ARG 274.A N ALA 270.A O no hydrogen 3.043 N/A ALA 275.A N ALA 271.A O no hydrogen 2.863 N/A VAL 276.A N ALA 272.A O no hydrogen 3.128 N/A LEU 277.A N VAL 273.A O no hydrogen 2.949 N/A GLY 278.A N ARG 274.A O no hydrogen 2.864 N/A GLY 279.A N VAL 276.A O no hydrogen 2.966 N/A ALA 280.A N ALA 275.A O no hydrogen 3.026 N/A ARG 285.A NH1 ASP 320.A OD1 no hydrogen 3.201 N/A ARG 285.A NH2 ASP 320.A OD1 no hydrogen 3.039 N/A ARG 285.A NH2 ASP 320.A OD2 no hydrogen 3.391 N/A ASP 286.A N GLY 282.A O no hydrogen 3.114 N/A ALA 287.A N PRO 283.A O no hydrogen 3.021 N/A VAL 288.A N VAL 284.A O no hydrogen 2.934 N/A VAL 289.A N ARG 285.A O no hydrogen 2.864 N/A LEU 290.A N ASP 286.A O no hydrogen 2.988 N/A ASN 291.A N ALA 287.A O no hydrogen 3.056 N/A ASN 291.A ND2 LEU 225.A O no hydrogen 2.841 N/A ASN 291.A ND2 ALA 287.A O no hydrogen 2.789 N/A ALA 292.A N VAL 288.A O no hydrogen 2.847 N/A ALA 293.A N VAL 289.A O no hydrogen 2.888 N/A GLY 294.A N LEU 290.A O no hydrogen 3.009 N/A ALA 295.A N ASN 291.A O no hydrogen 2.964 N/A ILE 296.A N ALA 292.A O no hydrogen 2.992 N/A VAL 297.A N ALA 293.A O no hydrogen 2.940 N/A ALA 298.A N GLY 294.A O no hydrogen 3.008 N/A HIS 299.A N ALA 295.A O no hydrogen 2.927 N/A HIS 299.A NE2 ASP 77.A OD2 no hydrogen 2.867 N/A ALA 300.A N ILE 296.A O no hydrogen 2.839 N/A GLY 301.A N VAL 297.A O no hydrogen 2.865 N/A LEU 302.A N HIS 299.A O no hydrogen 3.176 N/A SER 303.A N ALA 300.A O no hydrogen 3.080 N/A TRP 308.A N TRP 304.A O no hydrogen 2.889 N/A GLU 309.A N LEU 305.A O no hydrogen 2.972 N/A GLU 310.A N PRO 306.A O no hydrogen 3.012 N/A GLY 311.A N ALA 307.A O no hydrogen 2.830 N/A LEU 312.A N TRP 308.A O no hydrogen 2.806 N/A ARG 313.A N GLU 309.A O no hydrogen 2.929 N/A ARG 314.A N GLU 310.A O no hydrogen 2.803 N/A ARG 314.A NH2 ALA 105.A O no hydrogen 3.054 N/A ALA 315.A N GLY 311.A O no hydrogen 2.883 N/A SER 316.A N LEU 312.A O no hydrogen 2.971 N/A SER 316.A OG LEU 312.A O no hydrogen 3.232 N/A ALA 317.A N ARG 313.A O no hydrogen 2.921 N/A ALA 318.A N ARG 314.A O no hydrogen 3.025 N/A ILE 319.A N ALA 315.A O no hydrogen 3.295 N/A ASP 320.A N SER 316.A O no hydrogen 2.878 N/A THR 321.A N ALA 317.A O no hydrogen 2.808 N/A THR 321.A OG1 ALA 317.A O no hydrogen 2.946 N/A GLY 322.A N ILE 319.A O no hydrogen 2.825 N/A ALA 323.A N THR 321.A OG1 no hydrogen 3.189 N/A ALA 324.A N ALA 318.A O no hydrogen 2.753 N/A GLN 326.A N GLY 322.A O no hydrogen 2.847 N/A LEU 327.A N ALA 323.A O no hydrogen 2.737 N/A LEU 328.A N ALA 324.A O no hydrogen 3.135 N/A ALA 329.A N GLU 325.A O no hydrogen 3.176 N/A ARG 330.A N GLN 326.A O no hydrogen 2.884 N/A TRP 331.A N LEU 327.A O no hydrogen 2.785 N/A VAL 332.A N LEU 328.A O no hydrogen 2.818 N/A ARG 333.A N ALA 329.A O no hydrogen 2.915 N/A PHE 334.A N ARG 330.A O no hydrogen 2.720 N/A GLY 335.A N TRP 331.A O no hydrogen 3.264 N/A GLY 335.A N VAL 332.A O no hydrogen 3.214 N/A ARG 336.A N VAL 332.A O no hydrogen 3.140 N/A ARG 336.A N ARG 333.A O no hydrogen 3.126 N/A GLN 337.A N ARG 333.A O no hydrogen 3.065 N/A GLN 337.A N PHE 334.A O no hydrogen 3.292 N/A ILE 338.A N GLY 335.A O no hydrogen 3.443 N/A