Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2akr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N CYS 98.A O no hydrogen 2.921 N/A ARG 5.A N TRP 25.A O no hydrogen 2.832 N/A CYS 6.A N ALA 96.A O no hydrogen 2.696 N/A LEU 7.A N VAL 23.A O no hydrogen 2.929 N/A GLN 8.A N LEU 94.A O no hydrogen 2.809 N/A GLN 8.A NE2 SER 10.A OG no hydrogen 2.786 N/A MET 9.A N ASP 21.A O no hydrogen 2.753 N/A SER 10.A N ILE 92.A O no hydrogen 2.847 N/A SER 10.A OG THR 20.A OG1 no hydrogen 2.677 N/A SER 11.A N ARG 19.A O no hydrogen 2.777 N/A SER 11.A OG GLU 91.A OE1 no hydrogen 2.751 N/A PHE 12.A N ILE 90.A O no hydrogen 2.962 N/A ALA 13.A N TRP 17.A O no hydrogen 2.971 N/A ASN 14.A N TRP 17.A O no hydrogen 3.432 N/A SER 16.A N ASN 14.A OD1 no hydrogen 3.003 N/A SER 16.A OG ASN 14.A OD1 no hydrogen 3.099 N/A ARG 19.A N SER 11.A O no hydrogen 2.800 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.725 N/A ARG 19.A NH2 ASP 21.A OD1 no hydrogen 3.453 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 2.879 N/A ARG 19.A NH2 ASP 37.A OD1 no hydrogen 3.407 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.885 N/A THR 20.A OG1 SER 10.A OG no hydrogen 2.677 N/A ASP 21.A N MET 9.A O no hydrogen 2.934 N/A SER 22.A N TRP 34.A O no hydrogen 2.910 N/A VAL 23.A N LEU 7.A O no hydrogen 2.827 N/A VAL 24.A N HIS 32.A O no hydrogen 2.922 N/A TRP 25.A N ARG 5.A O no hydrogen 2.845 N/A LEU 26.A N LEU 29.A O no hydrogen 2.774 N/A GLY 27.A N THR 3.A O no hydrogen 2.945 N/A LEU 29.A N LEU 26.A O no hydrogen 3.048 N/A GLN 30.A N GLU 233.A OE1 no hydrogen 2.856 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.143 N/A THR 31.A N VAL 24.A O no hydrogen 2.736 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.381 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.863 N/A HIS 32.A N VAL 24.A O no hydrogen 3.309 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.863 N/A HIS 32.A NE2 SER 48.A O no hydrogen 2.920 N/A ARG 33.A N SER 42.A O no hydrogen 3.040 N/A TRP 34.A N SER 22.A O no hydrogen 2.880 N/A TRP 34.A NE1 SER 38.A O no hydrogen 2.854 N/A SER 35.A OG ASP 37.A OD2 no hydrogen 3.359 N/A ASN 36.A N ASP 21.A OD2 no hydrogen 2.756 N/A SER 38.A N SER 35.A O no hydrogen 2.882 N/A SER 38.A OG THR 40.A O no hydrogen 2.636 N/A THR 40.A N SER 38.A OG no hydrogen 3.044 N/A THR 40.A OG1 SER 38.A OG no hydrogen 3.336 N/A ILE 41.A N GLN 61.A OE1 no hydrogen 2.883 N/A SER 42.A N ARG 33.A O no hydrogen 2.820 N/A THR 44.A N THR 31.A O no hydrogen 2.934 N/A THR 44.A OG1 GLN 30.A O no hydrogen 2.814 N/A LYS 45.A N SER 48.A OG no hydrogen 3.010 N/A LYS 45.A NZ GLN 30.A O no hydrogen 2.817 N/A LYS 45.A NZ GLU 233.A OE2 no hydrogen 2.787 N/A TRP 47.A NE1 ASP 176.A OD2 no hydrogen 2.831 N/A SER 48.A N LYS 45.A O no hydrogen 3.420 N/A SER 48.A OG THR 31.A O no hydrogen 2.626 N/A SER 48.A OG LYS 45.A O no hydrogen 3.214 N/A GLN 49.A NE2 LEU 52.A O no hydrogen 2.788 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 3.047 N/A GLY 50.A N TRP 47.A O no hydrogen 2.951 N/A LEU 52.A N GLN 49.A O no hydrogen 3.190 N/A GLN 56.A N SER 53.A OG no hydrogen 2.772 N/A GLN 56.A NE2 SER 53.A OG no hydrogen 3.294 N/A TRP 57.A N SER 53.A O no hydrogen 2.901 N/A GLU 58.A N ASN 54.A O no hydrogen 2.906 N/A LYS 59.A N GLN 55.A O no hydrogen 3.067 N/A LEU 60.A N GLN 56.A O no hydrogen 3.086 N/A GLN 61.A N TRP 57.A O no hydrogen 2.888 N/A HIS 62.A N GLU 58.A O no hydrogen 2.832 N/A MET 63.A N LYS 59.A O no hydrogen 3.206 N/A PHE 64.A N LEU 60.A O no hydrogen 3.173 N/A GLN 65.A N GLN 61.A O no hydrogen 2.823 N/A GLN 65.A NE2 ALA 39.A O no hydrogen 2.821 N/A VAL 66.A N HIS 62.A O no hydrogen 2.986 N/A TYR 67.A N MET 63.A O no hydrogen 2.960 N/A TYR 67.A OH GLN 8.A OE1 no hydrogen 2.559 N/A ARG 68.A N PHE 64.A O no hydrogen 2.854 N/A ARG 68.A NH1 SER 35.A O no hydrogen 3.265 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.077 N/A ARG 68.A NH2 SER 38.A O no hydrogen 3.048 N/A VAL 69.A N GLN 65.A O no hydrogen 3.524 N/A SER 70.A N VAL 66.A O no hydrogen 2.988 N/A SER 70.A OG VAL 66.A O no hydrogen 3.144 N/A PHE 71.A N TYR 67.A O no hydrogen 2.697 N/A THR 72.A N ARG 68.A O no hydrogen 3.147 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.916 N/A ARG 73.A N VAL 69.A O no hydrogen 3.064 N/A ARG 73.A NE ASP 74.A OD1 no hydrogen 2.959 N/A ARG 73.A NH2 ASP 74.A OD1 no hydrogen 3.126 N/A ASP 74.A N SER 70.A O no hydrogen 2.746 N/A ILE 75.A N PHE 71.A O no hydrogen 2.894 N/A GLN 76.A N THR 72.A O no hydrogen 3.364 N/A GLN 76.A NE2 ASN 14.A O no hydrogen 3.653 N/A GLN 76.A NE2 ARG 15.A O no hydrogen 3.578 N/A GLU 77.A N ARG 73.A O no hydrogen 3.032 N/A LEU 78.A N ASP 74.A O no hydrogen 2.894 N/A VAL 79.A N ILE 75.A O no hydrogen 2.860 N/A LYS 80.A N GLN 76.A O no hydrogen 2.977 N/A MET 81.A N GLU 77.A O no hydrogen 2.970 N/A MET 82.A N VAL 79.A O no hydrogen 2.907 N/A LYS 85.A NZ LYS 80.A O no hydrogen 3.218 N/A ILE 90.A N PHE 12.A O no hydrogen 2.941 N/A GLU 91.A N GLN 115.A OE1 no hydrogen 2.698 N/A ILE 92.A N SER 10.A O no hydrogen 2.973 N/A GLN 93.A N ALA 113.A O no hydrogen 3.038 N/A LEU 94.A N GLN 8.A O no hydrogen 2.915 N/A SER 95.A N HIS 111.A O no hydrogen 2.827 N/A ALA 96.A N CYS 6.A O no hydrogen 2.940 N/A GLY 97.A N PHE 109.A O no hydrogen 3.065 N/A CYS 98.A N PHE 4.A O no hydrogen 3.269 N/A GLU 99.A N GLU 107.A O no hydrogen 2.759 N/A MET 100.A N TYR 2.A O no hydrogen 2.953 N/A TYR 101.A OH GLU 107.A OE1 no hydrogen 3.228 N/A ASN 104.A N TYR 101.A O no hydrogen 2.881 N/A GLU 107.A N GLU 99.A O no hydrogen 2.998 N/A SER 108.A OG LEU 158.A O no hydrogen 2.491 N/A PHE 109.A N GLY 97.A O no hydrogen 2.944 N/A HIS 111.A N SER 95.A O no hydrogen 2.873 N/A VAL 112.A N VAL 120.A O no hydrogen 2.810 N/A ALA 113.A N GLN 93.A O no hydrogen 2.804 N/A PHE 114.A N LYS 117.A O no hydrogen 2.771 N/A GLN 115.A N GLU 91.A O no hydrogen 2.796 N/A GLN 115.A NE2 PRO 89.A O no hydrogen 2.963 N/A LYS 117.A N PHE 114.A O no hydrogen 3.147 N/A VAL 119.A N VAL 112.A O no hydrogen 2.905 N/A VAL 120.A N VAL 112.A O no hydrogen 3.289 N/A ARG 121.A N GLN 128.A O no hydrogen 2.965 N/A ARG 121.A NH1 GLN 128.A OE1 no hydrogen 2.337 N/A PHE 122.A N LEU 110.A O no hydrogen 3.079 N/A TRP 123.A N SER 126.A O no hydrogen 2.820 N/A SER 126.A N TRP 123.A O no hydrogen 3.461 N/A TRP 127.A N ASN 145.A OD1 no hydrogen 2.760 N/A GLN 128.A N ARG 121.A O no hydrogen 2.764 N/A THR 129.A OG1 ASP 138.A OD1 no hydrogen 2.753 N/A VAL 130.A N VAL 119.A O no hydrogen 2.761 N/A ALA 133.A N VAL 130.A O no hydrogen 3.066 N/A LEU 137.A N PRO 134.A O no hydrogen 3.086 N/A ASP 138.A N SER 135.A O no hydrogen 2.973 N/A LEU 139.A N TRP 136.A O no hydrogen 2.952 N/A ILE 141.A N LEU 137.A O no hydrogen 3.277 N/A LYS 142.A N ASP 138.A O no hydrogen 3.057 N/A VAL 143.A N LEU 139.A O no hydrogen 3.145 N/A LEU 144.A N PRO 140.A O no hydrogen 2.875 N/A ASN 145.A N ILE 141.A O no hydrogen 2.854 N/A ASN 145.A ND2 TRP 127.A O no hydrogen 3.030 N/A ALA 146.A N VAL 143.A O no hydrogen 3.009 N/A ASP 147.A N LEU 144.A O no hydrogen 3.135 N/A THR 150.A N ASP 147.A OD1 no hydrogen 3.048 N/A THR 150.A OG1 ASP 147.A OD2 no hydrogen 2.715 N/A SER 151.A N ASP 147.A O no hydrogen 3.109 N/A SER 151.A OG THR 125.A O no hydrogen 2.674 N/A ALA 152.A N GLN 148.A O no hydrogen 2.827 N/A THR 153.A N GLY 149.A O no hydrogen 3.028 N/A THR 153.A OG1 GLY 149.A O no hydrogen 3.116 N/A VAL 154.A N THR 150.A O no hydrogen 2.855 N/A GLN 155.A N SER 151.A O no hydrogen 2.930 N/A GLN 155.A NE2 SER 151.A O no hydrogen 3.525 N/A GLN 155.A NE2 SER 151.A OG no hydrogen 2.900 N/A MET 156.A N ALA 152.A O no hydrogen 3.038 N/A LEU 157.A N THR 153.A O no hydrogen 2.935 N/A LEU 158.A N VAL 154.A O no hydrogen 2.939 N/A ASN 159.A N GLN 155.A O no hydrogen 2.858 N/A ASP 160.A N MET 156.A O no hydrogen 2.890 N/A THR 161.A N MET 156.A O no hydrogen 2.886 N/A THR 161.A OG1 MET 156.A O no hydrogen 3.366 N/A CYS 162.A N LEU 157.A O no hydrogen 2.822 N/A LEU 164.A N ASP 160.A O no hydrogen 3.262 N/A PHE 165.A N THR 161.A O no hydrogen 2.895 N/A VAL 166.A N CYS 162.A O no hydrogen 2.903 N/A ARG 167.A N PRO 163.A O no hydrogen 2.934 N/A GLY 168.A N LEU 164.A O no hydrogen 3.381 N/A LEU 169.A N PHE 165.A O no hydrogen 2.935 N/A LEU 170.A N VAL 166.A O no hydrogen 2.793 N/A GLU 171.A N ARG 167.A O no hydrogen 3.217 N/A ALA 172.A N GLY 168.A O no hydrogen 2.761 N/A GLY 173.A N LEU 169.A O no hydrogen 2.672 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 3.197 N/A LYS 174.A NZ GLU 171.A OE2 no hydrogen 2.533 N/A ASP 176.A N GLY 173.A O no hydrogen 2.958 N/A LEU 177.A N GLY 173.A O no hydrogen 2.937 N/A GLU 178.A N LYS 174.A O no hydrogen 2.902 N/A LYS 179.A N ASP 176.A O no hydrogen 3.199 N/A GLU 181.A N TYR 204.A O no hydrogen 2.748 N/A VAL 184.A N SER 201.A O no hydrogen 2.823 N/A TRP 186.A N HIS 199.A O no hydrogen 2.899 N/A SER 188.A N VAL 197.A O no hydrogen 2.878 N/A SER 188.A OG HIS 199.A NE2 no hydrogen 2.600 N/A VAL 190.A N GLN 195.A O no hydrogen 3.175 N/A ARG 194.A N VAL 243.A O no hydrogen 2.938 N/A ARG 194.A NH1 GLU 248.A OE2 no hydrogen 3.145 N/A GLN 195.A N VAL 190.A O no hydrogen 2.882 N/A LEU 196.A N LEU 241.A O no hydrogen 2.783 N/A VAL 197.A N SER 188.A O no hydrogen 2.761 N/A CYS 198.A N ALA 239.A O no hydrogen 2.867 N/A HIS 199.A N TRP 186.A O no hydrogen 2.823 N/A HIS 199.A ND1 TYR 236.A OH no hydrogen 2.916 N/A HIS 199.A NE2 SER 188.A OG no hydrogen 2.600 N/A VAL 200.A N LEU 237.A O no hydrogen 2.923 N/A SER 201.A N VAL 184.A O no hydrogen 2.884 N/A GLY 202.A N TRP 235.A O no hydrogen 2.900 N/A TYR 204.A N GLU 181.A O no hydrogen 3.080 N/A TYR 204.A OH ASP 28.A OD1 no hydrogen 2.573 N/A TRP 209.A N LYS 256.A O no hydrogen 3.186 N/A MET 211.A N ARG 254.A O no hydrogen 3.056 N/A TRP 212.A N THR 222.A OG1 no hydrogen 3.125 N/A TRP 212.A NE1 ALA 239.A O no hydrogen 3.024 N/A MET 213.A N ALA 252.A O no hydrogen 2.743 N/A ARG 214.A N GLN 217.A O no hydrogen 2.898 N/A ARG 214.A NH1 GLU 247.A O no hydrogen 3.458 N/A ARG 214.A NH1 ALA 249.A O no hydrogen 2.858 N/A ARG 214.A NH2 GLU 247.A O no hydrogen 2.774 N/A GLN 217.A N ARG 214.A O no hydrogen 3.010 N/A GLN 219.A N TRP 212.A O no hydrogen 2.973 N/A THR 222.A N GLN 219.A O no hydrogen 2.987 N/A THR 222.A OG1 GLN 219.A O no hydrogen 2.747 N/A HIS 223.A N THR 240.A O no hydrogen 2.847 N/A ARG 224.A NE VAL 210.A O no hydrogen 3.150 N/A GLY 225.A N GLN 238.A O no hydrogen 2.785 N/A LEU 228.A N TYR 236.A O no hydrogen 2.851 N/A ASN 230.A N THR 234.A O no hydrogen 2.909 N/A ASN 230.A ND2 SER 201.A OG no hydrogen 3.029 N/A ASN 230.A ND2 THR 234.A OG1 no hydrogen 3.011 N/A GLU 233.A N ASN 230.A O no hydrogen 3.049 N/A THR 234.A N ASP 232.A OD1 no hydrogen 3.164 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.783 N/A TRP 235.A N PHE 203.A O no hydrogen 2.879 N/A TRP 235.A NE1 ASP 28.A OD2 no hydrogen 3.015 N/A TYR 236.A N LEU 228.A O no hydrogen 2.805 N/A LEU 237.A N VAL 200.A O no hydrogen 2.874 N/A ALA 239.A N CYS 198.A O no hydrogen 2.928 N/A THR 240.A N HIS 223.A O no hydrogen 2.833 N/A LEU 241.A N LEU 196.A O no hydrogen 2.916 N/A VAL 243.A N ARG 194.A O no hydrogen 2.821 N/A GLU 244.A N GLU 247.A OE1 no hydrogen 2.955 N/A ALA 245.A N GLY 192.A O no hydrogen 3.110 N/A GLY 246.A N GLU 248.A OE1 no hydrogen 2.658 N/A GLU 247.A N GLU 244.A O no hydrogen 2.891 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.892 N/A LEU 251.A N GLU 248.A O no hydrogen 3.019 N/A ALA 252.A N MET 213.A O no hydrogen 2.928 N/A CYS 253.A N LEU 267.A O no hydrogen 2.783 N/A ARG 254.A N MET 211.A O no hydrogen 2.804 N/A ARG 254.A NH1 ASP 264.A OD2 no hydrogen 2.716 N/A VAL 255.A N ILE 265.A O no hydrogen 2.863 N/A LYS 256.A N TRP 209.A O no hydrogen 2.923 N/A LYS 256.A NZ ASP 264.A OD2 no hydrogen 2.822 N/A SER 258.A OG GLN 180.A OE1 no hydrogen 2.522 N/A SER 259.A OG GLU 181.A O no hydrogen 3.347 N/A LEU 260.A N HIS 257.A O no hydrogen 3.152 N/A GLN 263.A N LEU 260.A O no hydrogen 3.191 N/A ILE 265.A N VAL 255.A O no hydrogen 3.122 N/A LEU 267.A N CYS 253.A O no hydrogen 2.910 N/A TRP 269.A N LEU 251.A O no hydrogen 2.861 N/A