Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aal_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N ASP 2.A OD1 no hydrogen 2.929 N/A ARG 6.A N ASP 2.A O no hydrogen 3.058 N/A ARG 6.A NH1 ASP 194.A OD1 no hydrogen 2.920 N/A ARG 6.A NH2 ASP 194.A OD1 no hydrogen 2.431 N/A ALA 7.A N VAL 3.A O no hydrogen 2.816 N/A GLN 8.A N MET 4.A O no hydrogen 2.826 N/A GLN 8.A NE2 LEU 174.A O no hydrogen 3.054 N/A GLY 9.A N ARG 6.A O no hydrogen 3.114 N/A LEU 10.A N ARG 6.A O no hydrogen 3.006 N/A PHE 11.A N ALA 7.A O no hydrogen 2.933 N/A LYS 12.A NZ GLN 8.A O no hydrogen 3.135 N/A LYS 12.A NZ PHE 11.A O no hydrogen 3.284 N/A ILE 14.A N ASP 171.A OD2 no hydrogen 2.749 N/A ASN 24.A N MET 21.A O no hydrogen 3.174 N/A ASN 24.A ND2 LYS 154.A O no hydrogen 2.906 N/A ASN 24.A ND2 GLU 157.A OE1 no hydrogen 2.810 N/A SER 29.A OG LYS 138.A O.A no hydrogen 3.328 N/A SER 29.A OG LYS 138.A O.B no hydrogen 3.152 N/A ARG 30.A N SER 27.A OG no hydrogen 3.118 N/A ARG 30.A NE ALA 139.A O no hydrogen 2.935 N/A ARG 30.A NH1 ASN 24.A OD1 no hydrogen 2.925 N/A ARG 30.A NH2 ALA 139.A O no hydrogen 2.959 N/A VAL 31.A N SER 27.A O no hydrogen 2.888 N/A GLU 32.A N PRO 28.A O no hydrogen 2.999 N/A LEU 33.A N SER 29.A O no hydrogen 3.032 N/A GLY 34.A N ARG 30.A O no hydrogen 3.025 N/A ARG 35.A N VAL 31.A O no hydrogen 2.765 N/A ARG 35.A NH1 MET 303.A O no hydrogen 3.037 N/A MET 36.A N GLU 32.A O no hydrogen 2.854 N/A LEU 37.A N LEU 33.A O no hydrogen 2.888 N/A PHE 38.A N GLY 34.A O no hydrogen 2.973 N/A PHE 39.A N ARG 35.A O no hydrogen 3.192 N/A PHE 39.A N MET 36.A O no hydrogen 3.144 N/A ASP 40.A N LEU 37.A O no hydrogen 3.084 N/A ARG 42.A N ASP 40.A OD1 no hydrogen 2.882 N/A ARG 42.A NE ASP 40.A OD1 no hydrogen 2.915 N/A ARG 42.A NE ASP 40.A OD2 no hydrogen 3.388 N/A ARG 42.A NH1 PRO 308.A O no hydrogen 2.891 N/A ARG 42.A NH1 ASN 310.A OD1 no hydrogen 2.898 N/A ARG 42.A NH2 ASP 40.A OD2 no hydrogen 2.831 N/A ARG 42.A NH2 PRO 308.A O no hydrogen 2.805 N/A LEU 43.A N ASP 40.A O no hydrogen 3.255 N/A SER 44.A N PRO 41.A O no hydrogen 2.997 N/A SER 44.A OG PRO 41.A O no hydrogen 2.727 N/A SER 44.A OG SER 46.A OG no hydrogen 3.404 N/A SER 44.A OG ILE 49.A O no hydrogen 3.135 N/A SER 46.A OG SER 44.A OG no hydrogen 3.404 N/A HIS 47.A N SER 44.A O no hydrogen 3.048 N/A LEU 48.A N SER 46.A OG no hydrogen 2.993 N/A ILE 49.A N SER 44.A OG no hydrogen 3.131 N/A SER 50.A N THR 53.A OG1 no hydrogen 3.037 N/A SER 50.A OG PHE 38.A O no hydrogen 3.503 N/A ASN 52.A N PHE 38.A O no hydrogen 3.194 N/A THR 53.A N SER 50.A O no hydrogen 3.022 N/A THR 53.A OG1 SER 50.A O no hydrogen 3.283 N/A HIS 55.A N CYS 51.A O no hydrogen 2.808 N/A HIS 55.A ND1 PRO 81.A O no hydrogen 2.850 N/A ASN 56.A N THR 62.A O no hydrogen 2.919 N/A VAL 57.A N ASN 52.A OD1 no hydrogen 2.717 N/A GLY 58.A N ASN 56.A OD1 no hydrogen 2.765 N/A LEU 59.A N ASN 56.A O no hydrogen 2.854 N/A GLY 61.A N ASN 56.A O no hydrogen 2.817 N/A THR 62.A N LEU 59.A O no hydrogen 3.146 N/A THR 62.A OG1 SER 80.A O no hydrogen 2.627 N/A ASP 63.A N THR 62.A OG1 no hydrogen 2.707 N/A LEU 65.A N ASP 63.A OD1 no hydrogen 3.142 N/A SER 68.A N ARG 78.A O no hydrogen 2.840 N/A GLY 70.A N GLN 74.A OE1 no hydrogen 2.714 N/A HIS 71.A N GLN 74.A OE1 no hydrogen 2.947 N/A HIS 71.A ND1 ALA 111.A O no hydrogen 2.844 N/A GLN 74.A N HIS 71.A O no hydrogen 3.231 N/A GLN 74.A NE2 SER 68.A O no hydrogen 2.980 N/A GLN 74.A NE2 GLY 76.A O no hydrogen 2.980 N/A ARG 78.A N SER 68.A O no hydrogen 3.022 N/A ARG 78.A NE ASP 95.A OD1 no hydrogen 2.837 N/A ARG 78.A NH1 PRO 77.A O no hydrogen 2.856 N/A ARG 78.A NH2 ASP 95.A OD1 no hydrogen 3.433 N/A ARG 78.A NH2 ASP 95.A OD2 no hydrogen 2.809 N/A ASN 79.A N HIS 257.A O no hydrogen 2.802 N/A ASN 79.A ND2 GLU 66.A O no hydrogen 2.965 N/A SER 80.A OG CYS 54.A O no hydrogen 2.826 N/A THR 82.A OG1 GLY 60.A O no hydrogen 2.594 N/A VAL 83.A N GLY 61.A O no hydrogen 3.182 N/A LEU 84.A N THR 82.A OG1 no hydrogen 2.964 N/A ASN 85.A N LEU 163.A O no hydrogen 2.823 N/A ASN 85.A ND2 THR 165.A OG1 no hydrogen 2.904 N/A ALA 86.A N VAL 83.A O no hydrogen 3.021 N/A TYR 88.A N ASN 85.A O no hydrogen 2.810 N/A ASN 89.A N ALA 86.A O no hydrogen 2.878 N/A ILE 90.A N GLY 208.A O no hydrogen 2.716 N/A ALA 91.A N GLY 208.A O no hydrogen 2.735 N/A PHE 93.A N TYR 211.A OH no hydrogen 3.235 N/A TRP 94.A NE1 ASN 79.A O no hydrogen 2.855 N/A GLY 96.A N VAL 240.A O no hydrogen 3.113 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.649 N/A ASP 100.A N ARG 97.A O no hydrogen 2.938 N/A LEU 101.A N ALA 98.A O no hydrogen 3.177 N/A GLN 104.A N ASP 100.A O no hydrogen 2.997 N/A ALA 105.A N ALA 102.A O no hydrogen 2.981 N/A LYS 106.A N ALA 103.A O no hydrogen 2.956 N/A GLN 110.A NE2 GLU 160.A OE1 no hydrogen 2.704 N/A VAL 113.A N GLY 70.A O no hydrogen 2.798 N/A MET 115.A N SER 112.A OG no hydrogen 3.234 N/A ASN 116.A N SER 112.A O no hydrogen 2.807 N/A ASN 117.A N VAL 113.A O no hydrogen 2.844 N/A LYS 118.A N GLU 114.A O no hydrogen 3.076 N/A LYS 118.A N MET 115.A O no hydrogen 3.334 N/A ASN 121.A ND2 GLU 114.A OE2 no hydrogen 3.400 N/A LEU 122.A N LYS 118.A O no hydrogen 3.088 N/A VAL 123.A N PRO 119.A O no hydrogen 3.084 N/A ALA 124.A N GLU 120.A O no hydrogen 2.648 N/A THR 125.A N ASN 121.A O no hydrogen 2.804 N/A THR 125.A OG1 ASN 121.A O no hydrogen 2.763 N/A LEU 126.A N LEU 122.A O no hydrogen 2.923 N/A LYS 127.A N VAL 123.A O no hydrogen 2.764 N/A LYS 127.A NZ ASP 145.A OD1 no hydrogen 3.079 N/A SER 128.A N ALA 124.A O no hydrogen 2.933 N/A SER 128.A N THR 125.A O no hydrogen 3.050 N/A SER 128.A OG THR 125.A O no hydrogen 2.562 N/A SER 128.A OG THR 314.A OG1 no hydrogen 2.996 N/A ILE 129.A N LEU 126.A O no hydrogen 3.080 N/A TYR 132.A N ILE 129.A O no hydrogen 2.941 N/A TYR 132.A OH ASP 40.A OD2 no hydrogen 2.650 N/A PHE 136.A N TYR 132.A O no hydrogen 2.915 N/A ARG 137.A N PRO 133.A O no hydrogen 2.832 N/A LYS 138.A N.A PRO 134.A O no hydrogen 3.067 N/A LYS 138.A N.B PRO 134.A O no hydrogen 3.047 N/A ALA 139.A N LEU 135.A O no hydrogen 2.886 N/A PHE 140.A N PHE 136.A O no hydrogen 2.834 N/A ASN 151.A N THR 148.A OG1 no hydrogen 3.009 N/A ASN 151.A ND2 GLN 143.A OE1 no hydrogen 2.960 N/A ASN 151.A ND2 PRO 146.A O no hydrogen 2.931 N/A VAL 152.A N THR 148.A O no hydrogen 2.894 N/A ALA 153.A N PHE 149.A O no hydrogen 3.107 N/A LYS 154.A N ASP 150.A O no hydrogen 2.977 N/A LYS 154.A NZ ASP 23.A O no hydrogen 3.249 N/A ALA 155.A N ASN 151.A O no hydrogen 2.849 N/A ILE 156.A N VAL 152.A O no hydrogen 2.936 N/A GLU 157.A N ALA 153.A O no hydrogen 2.846 N/A VAL 158.A N LYS 154.A O no hydrogen 2.981 N/A PHE 159.A N ALA 155.A O no hydrogen 3.081 N/A GLU 160.A N ILE 156.A O no hydrogen 2.647 N/A ALA 161.A N GLU 157.A O no hydrogen 2.929 N/A THR 162.A N PHE 159.A O no hydrogen 2.899 N/A THR 162.A OG1 PHE 159.A O no hydrogen 2.723 N/A LEU 163.A N GLU 160.A O no hydrogen 2.919 N/A THR 165.A N ASN 85.A OD1 no hydrogen 2.881 N/A THR 165.A OG1 THR 165.A O no hydrogen 2.576 N/A PHE 170.A N THR 294.A O no hydrogen 3.014 N/A LYS 172.A N ALA 168.A O no hydrogen 3.074 N/A TYR 173.A N PRO 169.A O no hydrogen 2.974 N/A TYR 173.A OH GLU 186.A OE2 no hydrogen 2.509 N/A LEU 174.A N PHE 170.A O no hydrogen 2.868 N/A LYS 175.A N ASP 171.A O no hydrogen 3.043 N/A GLY 176.A N TYR 173.A O no hydrogen 2.811 N/A ASN 177.A N LYS 172.A O no hydrogen 3.203 N/A ARG 178.A NE.B GLU 186.A OE2 no hydrogen 3.347 N/A ARG 178.A NH1.A GLU 186.A OE2 no hydrogen 2.924 N/A ARG 178.A NH2.A ASP 2.A OD2 no hydrogen 2.699 N/A ARG 178.A NH2.B GLU 186.A OE1 no hydrogen 2.826 N/A LYS 179.A N ASN 177.A OD1 no hydrogen 2.786 N/A ALA 180.A N ASN 177.A O no hydrogen 3.009 N/A ALA 185.A N SER 182.A OG no hydrogen 2.997 N/A GLU 186.A N SER 182.A O no hydrogen 2.924 N/A GLN 187.A N SER 183.A O no hydrogen 3.067 N/A GLY 188.A N THR 184.A O no hydrogen 2.895 N/A LEU 189.A N ALA 185.A O no hydrogen 2.837 N/A ALA 190.A N GLU 186.A O no hydrogen 2.916 N/A LEU 191.A N GLN 187.A O no hydrogen 2.960 N/A PHE 192.A N GLY 188.A O no hydrogen 2.819 N/A LEU 193.A N LEU 189.A O no hydrogen 2.707 N/A ASP 194.A N ALA 190.A O no hydrogen 2.670 N/A LYS 195.A N LEU 191.A O no hydrogen 2.812 N/A LYS 195.A NZ SER 279.A O no hydrogen 3.077 N/A GLY 196.A N LEU 193.A O no hydrogen 3.214 N/A ALA 198.A N PHE 192.A O no hydrogen 3.363 N/A ALA 199.A N GLY 196.A O no hydrogen 3.112 N/A CYS 200.A N CYS 197.A O no hydrogen 3.296 N/A HIS 201.A N CYS 197.A O no hydrogen 3.280 N/A HIS 201.A N ALA 198.A O no hydrogen 3.094 N/A HIS 201.A ND1 PRO 244.A O no hydrogen 2.804 N/A GLY 203.A N LEU 10.A O no hydrogen 2.719 N/A ASN 205.A ND2 ASN 85.A O no hydrogen 3.052 N/A ASN 205.A ND2 ASN 89.A OD1 no hydrogen 3.001 N/A MET 206.A N GLY 203.A O no hydrogen 2.992 N/A GLY 207.A N SER 202.A O no hydrogen 2.886 N/A GLY 208.A N SER 243.A O no hydrogen 2.746 N/A TYR 211.A OH PHE 93.A O no hydrogen 3.340 N/A PHE 212.A N PHE 241.A O no hydrogen 2.752 N/A GLY 215.A N THR 232.A O no hydrogen 3.165 N/A ARG 217.A N LYS 230.A O no hydrogen 2.942 N/A ASP 219.A N ARG 228.A O no hydrogen 2.805 N/A THR 226.A OG1 ASP 266.A OD1 no hydrogen 3.444 N/A GLY 227.A N ASP 224.A OD1 no hydrogen 2.833 N/A ARG 228.A N ASP 224.A O no hydrogen 2.689 N/A ARG 228.A NH2 GLU 218.A OE2 no hydrogen 3.097 N/A TYR 229.A N ASP 225.A O no hydrogen 2.740 N/A TYR 229.A OH GLU 218.A OE2 no hydrogen 3.298 N/A LYS 230.A N ARG 217.A O no hydrogen 2.886 N/A THR 232.A N GLY 215.A O no hydrogen 2.973 N/A THR 232.A OG1 LYS 230.A O no hydrogen 3.093 N/A SER 233.A OG PRO 213.A O no hydrogen 2.647 N/A THR 234.A N ASP 237.A OD2 no hydrogen 2.818 N/A THR 234.A OG1 ASP 237.A OD1 no hydrogen 3.148 N/A ASP 237.A N THR 234.A O no hydrogen 3.161 N/A VAL 240.A N GLY 96.A O no hydrogen 2.824 N/A PHE 241.A N PHE 212.A O no hydrogen 2.831 N/A ARG 242.A N TRP 94.A O no hydrogen 2.681 N/A ARG 242.A NH1 ALA 91.A O no hydrogen 3.019 N/A SER 243.A N GLY 210.A O no hydrogen 3.094 N/A SER 243.A OG CYS 200.A O no hydrogen 2.949 N/A SER 245.A OG ASN 205.A O no hydrogen 2.474 N/A LEU 246.A N MET 206.A O no hydrogen 2.909 N/A ARG 247.A N SER 245.A OG no hydrogen 3.201 N/A ARG 247.A NE VAL 204.A O no hydrogen 2.679 N/A ARG 247.A NH1 ASP 171.A OD1 no hydrogen 2.804 N/A ARG 247.A NH2 LYS 12.A O no hydrogen 2.860 N/A ARG 247.A NH2 ASP 171.A OD1 no hydrogen 2.942 N/A ARG 247.A NH2 VAL 204.A O no hydrogen 3.048 N/A ASN 248.A N LEU 295.A O no hydrogen 2.860 N/A ASN 248.A ND2 THR 165.A OG1 no hydrogen 3.019 N/A VAL 249.A N LEU 246.A O no hydrogen 3.079 N/A ILE 251.A N ASN 248.A O no hydrogen 2.888 N/A THR 252.A N VAL 249.A O no hydrogen 3.395 N/A THR 252.A OG1 ASN 248.A O no hydrogen 3.480 N/A THR 252.A OG1 VAL 249.A O no hydrogen 3.554 N/A TYR 255.A N VAL 261.A O no hydrogen 2.693 N/A TYR 255.A OH VAL 249.A O no hydrogen 2.628 N/A GLY 259.A N PHE 256.A O no hydrogen 2.934 N/A LYS 260.A N SER 258.A OG no hydrogen 3.303 N/A LYS 260.A NZ GLU 66.A OE1 no hydrogen 2.746 N/A TRP 262.A NE1 GLU 66.A OE2 no hydrogen 2.828 N/A LYS 265.A NZ ASP 282.A OD1 no hydrogen 3.446 N/A LYS 265.A NZ ASP 282.A OD2 no hydrogen 2.806 N/A LYS 265.A NZ ASP 286.A OD1 no hydrogen 2.981 N/A ALA 267.A N LYS 263.A O no hydrogen 2.910 N/A VAL 268.A N LEU 264.A O no hydrogen 2.837 N/A LYS 269.A N LYS 265.A O no hydrogen 2.999 N/A LYS 269.A NZ ASP 282.A OD1 no hydrogen 2.705 N/A ILE 270.A N ASP 266.A O no hydrogen 3.059 N/A MET 271.A N ALA 267.A O no hydrogen 3.081 N/A GLY 272.A N VAL 268.A O no hydrogen 3.170 N/A GLY 272.A N LYS 269.A O no hydrogen 3.084 N/A SER 273.A N MET 271.A O no hydrogen 2.716 N/A LEU 276.A N SER 273.A O no hydrogen 2.972 N/A GLY 277.A N ALA 274.A O no hydrogen 2.676 N/A ILE 278.A N SER 273.A O no hydrogen 2.842 N/A THR 281.A N ASP 284.A OD2 no hydrogen 2.929 N/A ASP 284.A N THR 281.A OG1 no hydrogen 2.935 N/A ALA 285.A N THR 281.A O no hydrogen 2.878 N/A ASP 286.A N ASP 282.A O no hydrogen 3.058 N/A LYS 287.A N ALA 283.A O no hydrogen 3.078 N/A ILE 288.A N ASP 284.A O no hydrogen 2.976 N/A VAL 289.A N ALA 285.A O no hydrogen 2.919 N/A THR 290.A N ASP 286.A O no hydrogen 3.008 N/A THR 290.A OG1 ASP 286.A O no hydrogen 3.023 N/A PHE 291.A N LYS 287.A O no hydrogen 3.027 N/A LEU 292.A N ILE 288.A O no hydrogen 2.689 N/A ASN 293.A N VAL 289.A O no hydrogen 2.805 N/A THR 294.A N PHE 291.A O no hydrogen 2.875 N/A THR 294.A OG1 PHE 291.A O no hydrogen 2.515 N/A LEU 295.A N LEU 292.A O no hydrogen 3.016 N/A GLY 297.A N ASN 248.A OD1 no hydrogen 2.955 N/A ALA 298.A N PRO 166.A O no hydrogen 2.902 N/A HIS 304.A ND1 PRO 305.A O no hydrogen 2.888 N/A SER 311.A N THR 314.A OG1 no hydrogen 3.022 N/A SER 311.A OG SER 128.A O no hydrogen 2.548 N/A ASP 313.A N SER 311.A OG no hydrogen 3.144 N/A THR 314.A N SER 311.A O no hydrogen 3.097 N/A THR 314.A OG1 SER 128.A O no hydrogen 3.154 N/A THR 314.A OG1 SER 128.A OG no hydrogen 2.996 N/A THR 314.A OG1 SER 311.A O no hydrogen 3.291 N/A VAL 318.A N ALA 45.A O no hydrogen 2.879 N/A