Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4akr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 5.A OE1 no hydrogen 2.461 N/A SER 2.A N GLU 5.A OE1 no hydrogen 2.714 N/A GLU 5.A N SER 2.A OG no hydrogen 3.148 N/A LEU 6.A N SER 2.A O no hydrogen 2.964 N/A VAL 7.A N ASN 3.A O no hydrogen 2.984 N/A GLN 8.A N GLN 4.A O no hydrogen 2.961 N/A GLN 8.A NE2 GLN 8.A O no hydrogen 3.431 N/A ILE 9.A N GLU 5.A O no hydrogen 3.036 N/A ALA 10.A N LEU 6.A O no hydrogen 3.331 N/A THR 11.A N VAL 7.A O no hydrogen 3.091 N/A THR 11.A OG1 VAL 7.A O no hydrogen 2.874 N/A ASN 12.A N GLN 8.A O no hydrogen 3.214 N/A ASN 12.A ND2 GLN 8.A O no hydrogen 3.029 N/A PHE 13.A N ILE 9.A O no hydrogen 3.275 N/A LEU 14.A N ALA 10.A O no hydrogen 3.215 N/A LEU 15.A N THR 11.A O no hydrogen 2.997 N/A ASN 16.A N ASN 12.A O no hydrogen 3.261 N/A ASN 16.A N PHE 13.A O no hydrogen 2.871 N/A ASN 16.A ND2 ASN 12.A O no hydrogen 2.793 N/A ALA 17.A N LEU 14.A O no hydrogen 3.272 N/A CYS 20.A SG ILE 155.A O no hydrogen 3.715 N/A GLU 21.A N PRO 18.A O no hydrogen 3.367 N/A VAL 25.A N GLU 21.A O no hydrogen 3.069 N/A VAL 26.A N PHE 22.A O no hydrogen 2.748 N/A SER 27.A N MET 23.A O no hydrogen 3.055 N/A SER 27.A OG MET 23.A O no hydrogen 3.316 N/A ASP 28.A N GLU 24.A O no hydrogen 3.251 N/A VAL 29.A N VAL 25.A O no hydrogen 3.000 N/A ARG 30.A N VAL 26.A O no hydrogen 3.055 N/A ARG 30.A NH1 GLU 36.A OE1 no hydrogen 2.857 N/A ALA 31.A N SER 27.A O no hydrogen 3.149 N/A ALA 31.A N ASP 28.A O no hydrogen 3.234 N/A LEU 32.A N VAL 29.A O no hydrogen 2.651 N/A LEU 33.A N VAL 29.A O no hydrogen 3.121 N/A SER 35.A OG SER 37.A OG no hydrogen 3.042 N/A SER 37.A OG SER 35.A OG no hydrogen 3.042 N/A LEU 38.A N SER 35.A O no hydrogen 2.937 N/A ASN 40.A N SER 37.A O no hydrogen 3.012 N/A ALA 43.A N LEU 39.A O no hydrogen 3.276 N/A THR 46.A N SER 42.A O no hydrogen 3.014 N/A THR 46.A OG1 SER 42.A O no hydrogen 2.834 N/A PHE 47.A N ALA 43.A O no hydrogen 2.801 N/A ARG 48.A N GLY 44.A O no hydrogen 3.007 N/A ARG 48.A NE GLU 72.A OE1 no hydrogen 3.352 N/A ARG 48.A NE GLU 72.A OE2 no hydrogen 3.221 N/A ARG 48.A NH2 GLU 72.A OE2 no hydrogen 2.497 N/A GLU 49.A N SER 45.A O no hydrogen 3.116 N/A TYR 50.A N THR 46.A O no hydrogen 3.272 N/A TYR 50.A OH PRO 18.A O no hydrogen 3.031 N/A ASN 51.A N PHE 47.A O no hydrogen 2.827 N/A ASN 51.A ND2 HIS 91.A O no hydrogen 3.110 N/A THR 52.A N ARG 48.A O no hydrogen 3.004 N/A THR 52.A OG1 ARG 48.A O no hydrogen 2.496 N/A THR 52.A OG1 GLU 49.A O no hydrogen 3.420 N/A SER 53.A N GLU 49.A O no hydrogen 3.056 N/A SER 53.A OG GLU 49.A O no hydrogen 2.502 N/A SER 53.A OG TYR 50.A O no hydrogen 3.157 N/A GLN 54.A N TYR 50.A O no hydrogen 2.863 N/A MET 55.A N THR 52.A O no hydrogen 3.202 N/A VAL 56.A N ASN 51.A O no hydrogen 3.219 N/A VAL 58.A N ALA 65.A O no hydrogen 2.897 N/A THR 60.A N GLY 63.A O no hydrogen 2.963 N/A THR 60.A OG1 GLY 63.A O no hydrogen 2.653 N/A THR 60.A OG1 GLN 85.A OE1 no hydrogen 3.254 N/A SER 61.A N GLU 99.A OE1 no hydrogen 2.930 N/A SER 61.A OG GLU 99.A OE1 no hydrogen 3.013 N/A LYS 62.A N THR 60.A OG1 no hydrogen 3.188 N/A GLY 63.A N THR 60.A O no hydrogen 3.105 N/A ALA 65.A N VAL 58.A O no hydrogen 2.987 N/A ILE 67.A N VAL 56.A O no hydrogen 2.934 N/A THR 68.A OG1 TYR 137.A OH no hydrogen 2.803 N/A LYS 69.A NZ GLU 49.A OE1 no hydrogen 3.460 N/A GLY 71.A N THR 68.A OG1 no hydrogen 3.025 N/A GLU 72.A N LYS 69.A O no hydrogen 3.260 N/A ILE 73.A N GLU 77.A O no hydrogen 2.736 N/A SER 74.A N GLU 77.A O no hydrogen 3.363 N/A ASN 76.A ND2 TYR 89.A O no hydrogen 3.194 N/A GLU 77.A N SER 74.A O no hydrogen 3.281 N/A TYR 78.A N ILE 87.A O no hydrogen 2.705 N/A TYR 78.A OH GLU 72.A OE1 no hydrogen 2.616 N/A LEU 79.A N GLY 71.A O no hydrogen 2.763 N/A ASP 80.A N GLN 85.A O no hydrogen 2.884 N/A ASN 83.A N ASP 80.A O no hydrogen 3.210 N/A LYS 84.A N PRO 81.A O no hydrogen 3.022 N/A GLN 85.A N ASP 80.A O no hydrogen 3.166 N/A VAL 86.A N ARG 100.A O no hydrogen 2.773 N/A ILE 87.A N TYR 78.A O no hydrogen 2.638 N/A THR 88.A N GLY 98.A O no hydrogen 3.041 N/A TYR 89.A N ASN 76.A O no hydrogen 2.837 N/A ASP 90.A N GLU 95.A O no hydrogen 2.755 N/A ILE 92.A N ASP 90.A OD1 no hydrogen 2.918 N/A LYS 93.A N ASP 90.A OD1 no hydrogen 2.912 N/A GLU 95.A N ASP 90.A O no hydrogen 3.204 N/A THR 97.A N THR 88.A O no hydrogen 2.873 N/A GLY 98.A N THR 88.A O no hydrogen 3.275 N/A ARG 100.A N VAL 86.A O no hydrogen 3.150 N/A ARG 100.A NH1 SER 101.A O no hydrogen 3.025 N/A ALA 102.A N LYS 84.A O no hydrogen 2.993 N/A SER 103.A N GLU 105.A OE1 no hydrogen 2.812 N/A GLN 108.A NE2 ILE 106.A O no hydrogen 3.578 N/A ILE 110.A N GLU 107.A O no hydrogen 3.483 N/A GLU 111.A N GLN 108.A O no hydrogen 3.192 N/A TYR 113.A N ILE 110.A O no hydrogen 2.874 N/A ARG 114.A N ILE 110.A O no hydrogen 3.225 N/A ARG 114.A NE GLU 111.A OE1 no hydrogen 2.963 N/A ARG 114.A NE GLU 111.A OE2 no hydrogen 3.470 N/A ARG 114.A NH1 ASP 118.A OD2 no hydrogen 2.871 N/A ARG 114.A NH1 VAL 136.A O no hydrogen 2.893 N/A ARG 114.A NH2 GLU 111.A OE2 no hydrogen 3.137 N/A ARG 114.A NH2 ASP 118.A OD2 no hydrogen 3.530 N/A ALA 115.A N GLU 111.A O no hydrogen 2.774 N/A ALA 116.A N GLN 112.A O no hydrogen 3.073 N/A PHE 117.A N TYR 113.A O no hydrogen 2.914 N/A ASP 118.A N ARG 114.A O no hydrogen 2.733 N/A GLU 119.A N ALA 115.A O no hydrogen 3.157 N/A ALA 121.A N PHE 117.A O no hydrogen 2.923 N/A THR 122.A N ASP 118.A O no hydrogen 3.031 N/A THR 122.A OG1 ASP 118.A O no hydrogen 2.879 N/A THR 122.A OG1 ASP 118.A OD1 no hydrogen 3.564 N/A LYS 123.A N GLU 119.A O no hydrogen 3.287 N/A LYS 123.A NZ GLU 120.A OE2 no hydrogen 2.741 N/A TYR 124.A N GLU 120.A O no hydrogen 2.865 N/A TYR 124.A OH GLU 231.A OE1 no hydrogen 2.484 N/A CYS 125.A N ALA 121.A O no hydrogen 2.821 N/A ASN 126.A N THR 122.A O no hydrogen 2.889 N/A GLU 127.A N LYS 123.A O no hydrogen 2.898 N/A TYR 128.A N TYR 124.A O no hydrogen 2.977 N/A TYR 129.A N CYS 125.A O no hydrogen 2.934 N/A TYR 129.A OH GLU 231.A OE1 no hydrogen 2.591 N/A GLY 132.A N TYR 129.A O no hydrogen 2.874 N/A VAL 133.A N SER 152.A O no hydrogen 3.233 N/A ALA 135.A N CYS 150.A O no hydrogen 2.992 N/A TYR 137.A N THR 148.A O no hydrogen 2.953 N/A TYR 137.A OH THR 68.A OG1 no hydrogen 2.803 N/A THR 139.A N LYS 146.A O no hydrogen 3.143 N/A THR 139.A OG1 GLU 107.A OE2 no hydrogen 2.828 N/A LYS 140.A N GLU 107.A OE1 no hydrogen 2.946 N/A LYS 140.A NZ GLU 107.A OE1 no hydrogen 2.629 N/A LYS 140.A NZ ASP 109.A OD1 no hydrogen 2.745 N/A LYS 140.A NZ ASP 109.A OD2 no hydrogen 2.723 N/A VAL 141.A N GLY 144.A O no hydrogen 2.743 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.275 N/A GLY 144.A N VAL 141.A O no hydrogen 2.545 N/A ILE 145.A N PHE 174.A O no hydrogen 2.891 N/A LYS 146.A N THR 139.A O no hydrogen 2.890 N/A ILE 147.A N CYS 172.A O no hydrogen 2.719 N/A THR 148.A N TYR 137.A O no hydrogen 3.037 N/A VAL 149.A N TRP 170.A O no hydrogen 2.713 N/A CYS 150.A N ALA 135.A O no hydrogen 2.853 N/A ILE 151.A N SER 168.A O no hydrogen 2.809 N/A SER 152.A N VAL 133.A O no hydrogen 3.163 N/A SER 152.A OG GLN 54.A O no hydrogen 3.243 N/A SER 152.A OG MET 55.A O no hydrogen 3.065 N/A THR 153.A N TRP 166.A O no hydrogen 3.050 N/A ILE 155.A N GLY 164.A O no hydrogen 2.914 N/A LYS 157.A N TYR 162.A O no hydrogen 3.093 N/A ALA 160.A N LYS 157.A O no hydrogen 2.726 N/A PHE 161.A N PRO 158.A O no hydrogen 2.990 N/A TYR 162.A N LYS 157.A O no hydrogen 3.453 N/A SER 163.A N HIS 192.A O no hydrogen 2.822 N/A SER 163.A OG PRO 19.A O no hydrogen 3.295 N/A SER 163.A OG GLU 21.A OE2 no hydrogen 2.861 N/A GLY 164.A N ILE 155.A O no hydrogen 3.077 N/A ARG 165.A N ASN 190.A O no hydrogen 2.884 N/A ARG 165.A NE GLN 54.A OE1 no hydrogen 2.716 N/A TRP 166.A N THR 153.A O no hydrogen 2.773 N/A TRP 166.A NE1 SER 168.A OG no hydrogen 2.848 N/A ARG 167.A N GLN 188.A O no hydrogen 2.875 N/A ARG 167.A NH1 SER 53.A O no hydrogen 2.694 N/A SER 168.A N ILE 151.A O no hydrogen 2.945 N/A SER 168.A OG GLU 231.A OE2 no hydrogen 2.832 N/A VAL 169.A N LYS 186.A O no hydrogen 3.124 N/A TRP 170.A N VAL 149.A O no hydrogen 2.783 N/A TRP 170.A NE1 GLU 231.A OE2 no hydrogen 2.824 N/A THR 171.A N ASN 184.A O no hydrogen 2.907 N/A CYS 172.A N ILE 147.A O no hydrogen 2.770 N/A CYS 172.A SG SER 183.A OG no hydrogen 3.415 N/A THR 173.A N THR 182.A O no hydrogen 2.993 N/A PHE 174.A N ILE 145.A O no hydrogen 3.032 N/A VAL 181.A N SER 211.A O no hydrogen 2.519 N/A THR 182.A N THR 173.A O no hydrogen 2.934 N/A SER 183.A N THR 209.A O no hydrogen 3.014 N/A ASN 184.A N THR 171.A O no hydrogen 2.944 N/A ASN 184.A ND2 GLN 208.A OE1 no hydrogen 2.858 N/A GLY 185.A N LYS 207.A O no hydrogen 2.628 N/A LYS 186.A N VAL 169.A O no hydrogen 3.045 N/A VAL 187.A N THR 205.A O no hydrogen 2.794 N/A GLN 188.A N ARG 167.A O no hydrogen 2.832 N/A VAL 189.A N THR 203.A O no hydrogen 3.223 N/A VAL 189.A N THR 203.A OG1 no hydrogen 2.932 N/A ASN 190.A N ARG 165.A O no hydrogen 2.939 N/A VAL 191.A N LEU 201.A O no hydrogen 2.995 N/A HIS 192.A N SER 163.A O no hydrogen 2.899 N/A TYR 193.A N VAL 199.A O no hydrogen 2.876 N/A PHE 194.A N PHE 161.A O no hydrogen 2.733 N/A VAL 199.A N TYR 193.A O no hydrogen 2.817 N/A GLN 200.A NE2 ASN 198.A OD1 no hydrogen 3.293 N/A LEU 201.A N VAL 191.A O no hydrogen 2.829 N/A THR 203.A N VAL 189.A O no hydrogen 2.916 N/A THR 203.A OG1 VAL 189.A O no hydrogen 3.482 N/A THR 205.A N VAL 187.A O no hydrogen 2.868 N/A LYS 207.A N GLY 185.A O no hydrogen 2.820 N/A THR 209.A N SER 183.A O no hydrogen 2.841 N/A SER 211.A N VAL 181.A O no hydrogen 3.139 N/A SER 213.A N GLY 179.A O no hydrogen 2.859 N/A SER 213.A OG LYS 175.A O no hydrogen 2.686 N/A SER 213.A OG SER 178.A O no hydrogen 3.231 N/A ALA 214.A N THR 219.A OG1 no hydrogen 2.943 N/A SER 218.A N ASP 215.A OD2 no hydrogen 3.075 N/A SER 218.A OG ASP 215.A OD1 no hydrogen 2.966 N/A SER 218.A OG ASP 215.A OD2 no hydrogen 2.789 N/A THR 219.A N ASP 215.A O no hydrogen 2.909 N/A THR 219.A OG1 ASP 215.A O no hydrogen 3.186 N/A ALA 220.A N ALA 216.A O no hydrogen 3.056 N/A VAL 221.A N GLN 217.A O no hydrogen 3.059 N/A ASN 222.A N SER 218.A O no hydrogen 2.752 N/A ALA 223.A N THR 219.A O no hydrogen 3.050 N/A ALA 223.A N ALA 220.A O no hydrogen 3.188 N/A PHE 224.A N ALA 220.A O no hydrogen 3.080 N/A LYS 225.A N VAL 221.A O no hydrogen 3.068 N/A ALA 226.A N ASN 222.A O no hydrogen 3.295 N/A ILE 227.A N ALA 223.A O no hydrogen 2.853 N/A GLY 228.A N PHE 224.A O no hydrogen 2.847 N/A LYS 229.A N LYS 225.A O no hydrogen 3.149 N/A LYS 229.A N ALA 226.A O no hydrogen 3.088 N/A ALA 230.A N ALA 226.A O no hydrogen 2.965 N/A GLU 231.A N ILE 227.A O no hydrogen 3.071 N/A LEU 232.A N GLY 228.A O no hydrogen 3.042 N/A ASN 233.A N LYS 229.A O no hydrogen 2.988 N/A LEU 234.A N ALA 230.A O no hydrogen 2.970 N/A HIS 235.A N GLU 231.A O no hydrogen 2.840 N/A THR 236.A N LEU 232.A O no hydrogen 2.854 N/A THR 236.A OG1 LEU 232.A O no hydrogen 3.038 N/A ALA 237.A N ASN 233.A O no hydrogen 2.783 N/A LEU 238.A N LEU 234.A O no hydrogen 2.904 N/A ASP 239.A N HIS 235.A O no hydrogen 3.070 N/A ASN 240.A N THR 236.A O no hydrogen 3.008 N/A ASN 241.A N ALA 237.A O no hydrogen 2.924 N/A THR 244.A N ASN 240.A O no hydrogen 3.098 N/A THR 244.A OG1 ASN 240.A O no hydrogen 3.409 N/A MET 245.A N ASN 241.A O no hydrogen 2.891 N/A GLY 246.A N TYR 242.A O no hydrogen 3.031 N/A ASP 247.A N SER 243.A O no hydrogen 2.687 N/A ASP 247.A N THR 244.A O no hydrogen 3.239 N/A THR 248.A N MET 245.A O no hydrogen 3.388 N/A THR 248.A OG1 THR 244.A O no hydrogen 2.497 N/A THR 249.A N THR 248.A OG1 no hydrogen 2.554 N/A PHE 250.A N MET 245.A O no hydrogen 2.964 N/A LYS 251.A NZ GLY 246.A O no hydrogen 3.152 N/A ALA 252.A N THR 248.A O no hydrogen 3.027 N/A LEU 253.A N PHE 250.A O no hydrogen 3.140 N/A ARG 255.A NE LEU 257.A O no hydrogen 2.784 N/A ARG 261.A N PRO 258.A O no hydrogen 2.782 N/A THR 262.A OG1 ASN 260.A O no hydrogen 2.700 N/A THR 262.A OG1 ASN 260.A OD1 no hydrogen 3.335 N/A LYS 268.A N ASN 265.A O no hydrogen 2.961 N/A LYS 268.A N ASN 265.A OD1 no hydrogen 2.964 N/A