Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aix_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 65.A OE1 no hydrogen 3.303 N/A ARG 2.A N ASN 60.A O no hydrogen 3.224 N/A VAL 3.A N LEU 89.A O no hydrogen 2.803 N/A LYS 4.A N GLU 58.A O no hydrogen 2.938 N/A LYS 4.A NZ TYR 88.A OH no hydrogen 2.773 N/A VAL 5.A N LEU 87.A O no hydrogen 2.814 N/A ALA 10.A N ASP 7.A OD1 no hydrogen 3.278 N/A PHE 11.A N ASP 7.A O no hydrogen 3.171 N/A SER 12.A N ALA 8.A O no hydrogen 2.889 N/A SER 12.A OG ASP 9.A O no hydrogen 2.654 N/A TYR 13.A N ALA 10.A O no hydrogen 3.202 N/A PHE 15.A N SER 12.A O no hydrogen 2.976 N/A ARG 16.A N SER 12.A O no hydrogen 3.132 N/A THR 17.A N TYR 13.A O no hydrogen 3.052 N/A THR 17.A OG1 TYR 13.A O no hydrogen 2.774 N/A LEU 18.A N ILE 14.A O no hydrogen 3.123 N/A GLU 19.A N PHE 15.A O no hydrogen 2.987 N/A GLU 20.A N THR 17.A O no hydrogen 2.823 N/A PHE 21.A N LEU 18.A O no hydrogen 2.763 N/A ILE 22.A N LEU 18.A O no hydrogen 2.899 N/A ILE 25.A N VAL 69.A O no hydrogen 3.257 N/A LEU 27.A N VAL 67.A O no hydrogen 2.799 N/A ASP 28.A N LYS 35.A O no hydrogen 2.899 N/A PHE 29.A N GLU 65.A O no hydrogen 2.916 N/A THR 30.A N GLY 33.A O no hydrogen 3.021 N/A THR 30.A OG1 GLY 33.A O no hydrogen 2.696 N/A ASP 32.A N THR 30.A OG1 no hydrogen 3.307 N/A GLY 33.A N THR 30.A O no hydrogen 3.203 N/A GLY 33.A N THR 30.A OG1 no hydrogen 3.189 N/A LEU 34.A N ILE 51.A O no hydrogen 2.869 N/A LYS 35.A N ASP 28.A O no hydrogen 2.835 N/A LYS 35.A NZ THR 30.A OG1 no hydrogen 2.826 N/A ILE 36.A N ILE 49.A O no hydrogen 3.057 N/A ARG 37.A NE ASP 48.A OD1 no hydrogen 3.418 N/A ARG 37.A NH2 ASP 48.A OD1 no hydrogen 3.257 N/A GLY 38.A N ILE 47.A O no hydrogen 3.190 N/A ASP 40.A N THR 45.A O no hydrogen 3.259 N/A SER 42.A OG ASP 40.A OD2 no hydrogen 3.289 N/A SER 42.A OG TYR 201.A OH no hydrogen 3.175 N/A ARG 43.A N ASP 40.A O no hydrogen 2.705 N/A THR 45.A N ASP 40.A OD1 no hydrogen 2.774 N/A THR 45.A N ASP 40.A OD2 no hydrogen 3.219 N/A THR 45.A OG1 ASP 40.A OD2 no hydrogen 3.320 N/A PHE 46.A N TYR 240.A O no hydrogen 2.799 N/A ILE 47.A N GLY 38.A O no hydrogen 2.936 N/A ASP 48.A N ASP 238.A O no hydrogen 2.885 N/A ILE 49.A N ILE 36.A O no hydrogen 2.793 N/A LEU 50.A N TYR 236.A O no hydrogen 2.913 N/A ILE 51.A N LEU 34.A O no hydrogen 2.873 N/A ALA 53.A N ASP 32.A O no hydrogen 3.089 N/A TYR 55.A N PRO 52.A O no hydrogen 3.003 N/A PHE 56.A N ALA 53.A O no hydrogen 3.067 N/A GLU 57.A N LYS 4.A O no hydrogen 2.920 N/A TYR 59.A OH THR 30.A O no hydrogen 2.551 N/A ASN 60.A N ARG 2.A O no hydrogen 2.966 N/A GLU 65.A N PHE 29.A O no hydrogen 2.945 N/A VAL 67.A N LEU 27.A O no hydrogen 2.842 N/A VAL 69.A N ILE 25.A O no hydrogen 3.096 N/A LEU 71.A N ASP 23.A O no hydrogen 2.763 N/A PHE 74.A N LYS 70.A O no hydrogen 3.220 N/A THR 75.A N LEU 71.A O no hydrogen 2.851 N/A THR 75.A OG1 GLU 19.A OE1 no hydrogen 2.777 N/A THR 75.A OG1 GLU 19.A OE2 no hydrogen 3.204 N/A THR 75.A OG1 LEU 71.A O no hydrogen 3.188 N/A THR 75.A OG1 GLU 72.A O no hydrogen 3.177 N/A ASP 76.A N GLU 72.A O no hydrogen 3.043 N/A VAL 77.A N ASP 73.A O no hydrogen 3.382 N/A LEU 78.A N PHE 74.A O no hydrogen 3.048 N/A LYS 79.A N THR 75.A O no hydrogen 2.747 N/A THR 80.A N VAL 77.A O no hydrogen 3.103 N/A THR 80.A OG1 VAL 77.A O no hydrogen 2.626 N/A THR 82.A N ASP 85.A OD2 no hydrogen 2.744 N/A ASN 84.A N THR 82.A OG1 no hydrogen 3.141 N/A SER 86.A N ASP 102.A O no hydrogen 2.933 N/A LEU 87.A N VAL 5.A O no hydrogen 2.887 N/A TYR 88.A N THR 100.A O no hydrogen 2.838 N/A LEU 89.A N VAL 3.A O no hydrogen 2.714 N/A GLU 90.A N LYS 98.A O no hydrogen 3.083 N/A THR 91.A N MET 1.A O no hydrogen 3.308 N/A THR 91.A OG1 GLU 65.A OE2 no hydrogen 2.745 N/A ASP 92.A N ASN 96.A O no hydrogen 3.211 N/A GLN 95.A N ASP 92.A O no hydrogen 3.422 N/A GLN 95.A NE2 GLU 65.A OE2 no hydrogen 2.966 N/A ASN 96.A N ASP 92.A OD1 no hydrogen 2.838 N/A ILE 97.A N PHE 111.A O no hydrogen 3.259 N/A LYS 98.A N GLU 90.A O no hydrogen 2.637 N/A VAL 99.A N PHE 109.A O no hydrogen 2.770 N/A THR 100.A N TYR 88.A O no hydrogen 3.036 N/A THR 100.A OG1 THR 108.A OG1 no hydrogen 2.936 N/A LEU 101.A N ARG 107.A O no hydrogen 2.926 N/A ASP 102.A N SER 86.A O no hydrogen 2.975 N/A GLY 103.A N TYR 105.A O no hydrogen 3.296 N/A ARG 107.A N LEU 101.A O no hydrogen 3.027 N/A ARG 107.A NH1 THR 80.A O no hydrogen 3.557 N/A THR 108.A OG1 THR 100.A OG1 no hydrogen 2.936 N/A PHE 109.A N VAL 99.A O no hydrogen 2.732 N/A PHE 111.A N ILE 97.A O no hydrogen 3.012 N/A SER 113.A N ASN 96.A OD1 no hydrogen 3.442 N/A PHE 130.A N PHE 219.A O no hydrogen 3.234 N/A LYS 131.A N GLU 189.A O no hydrogen 3.064 N/A ALA 132.A N ILE 217.A O no hydrogen 2.702 N/A LYS 133.A N GLU 187.A O no hydrogen 3.099 N/A ALA 134.A N VAL 215.A O no hydrogen 2.886 N/A THR 136.A N ASP 213.A O no hydrogen 2.935 N/A THR 136.A OG1 SER 212.A OG no hydrogen 2.863 N/A PHE 139.A N LEU 135.A O no hydrogen 2.927 N/A THR 140.A N THR 136.A O no hydrogen 2.790 N/A THR 140.A OG1 THR 136.A O no hydrogen 2.962 N/A ASP 141.A N VAL 137.A O no hydrogen 3.123 N/A ILE 142.A N THR 138.A O no hydrogen 3.076 N/A ILE 143.A N PHE 139.A O no hydrogen 2.954 N/A ASP 144.A N THR 140.A O no hydrogen 2.834 N/A GLU 145.A N ASP 141.A O no hydrogen 3.037 N/A ILE 146.A N ILE 142.A O no hydrogen 3.015 N/A GLU 147.A N ILE 143.A O no hydrogen 2.911 N/A ILE 149.A N ILE 146.A O no hydrogen 3.014 N/A GLY 150.A N GLU 147.A O no hydrogen 3.361 N/A ILE 154.A N TYR 197.A O no hydrogen 2.827 N/A THR 155.A N SER 166.A O no hydrogen 2.816 N/A PHE 156.A N SER 195.A O no hydrogen 2.795 N/A LYS 157.A N TYR 164.A O no hydrogen 3.028 N/A LYS 157.A NZ GLU 159.A OE1 no hydrogen 3.515 N/A ALA 158.A N ALA 193.A O no hydrogen 2.801 N/A GLU 159.A N LYS 162.A O no hydrogen 2.876 N/A GLY 160.A N ASP 192.A OD1 no hydrogen 2.943 N/A LYS 162.A N GLU 159.A O no hydrogen 3.319 N/A LEU 163.A N LEU 178.A O no hydrogen 2.896 N/A TYR 164.A N LYS 157.A O no hydrogen 2.714 N/A LEU 165.A N ILE 176.A O no hydrogen 3.041 N/A SER 166.A N THR 155.A O no hydrogen 3.147 N/A ALA 167.A N SER 174.A O no hydrogen 3.297 N/A SER 169.A N GLY 172.A O no hydrogen 2.777 N/A GLY 172.A N SER 169.A OG no hydrogen 3.180 N/A SER 174.A N ALA 167.A O no hydrogen 3.447 N/A ILE 176.A N LEU 165.A O no hydrogen 2.826 N/A LEU 178.A N LEU 163.A O no hydrogen 2.798 N/A SER 179.A N ASN 182.A OD1 no hydrogen 2.852 N/A SER 179.A OG GLU 181.A OE1 no hydrogen 3.277 N/A THR 180.A OG1 GLU 181.A OE1 no hydrogen 3.335 N/A THR 180.A OG1 GLU 181.A OE2 no hydrogen 3.336 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.754 N/A ASN 182.A ND2 GLU 177.A O no hydrogen 2.850 N/A GLY 184.A N ASN 182.A OD1 no hydrogen 2.893 N/A LEU 185.A N SER 179.A O no hydrogen 2.869 N/A LEU 186.A N LYS 133.A O no hydrogen 2.681 N/A SER 188.A OG GLY 161.A O no hydrogen 2.896 N/A GLU 189.A N LYS 131.A O no hydrogen 2.813 N/A ALA 193.A N ALA 158.A O no hydrogen 3.169 N/A GLU 194.A N SER 221.A OG no hydrogen 3.169 N/A SER 195.A N PHE 156.A O no hydrogen 2.943 N/A SER 195.A OG GLY 220.A O no hydrogen 2.572 N/A TYR 197.A N ILE 154.A O no hydrogen 2.905 N/A TYR 197.A OH ILE 223.A O no hydrogen 2.856 N/A LEU 199.A N ASP 152.A O no hydrogen 3.019 N/A TYR 201.A OH SER 42.A OG no hydrogen 3.175 N/A VAL 203.A N LEU 199.A O no hydrogen 2.922 N/A ASN 204.A N GLU 200.A O no hydrogen 2.945 N/A THR 205.A N VAL 202.A O no hydrogen 3.265 N/A THR 205.A OG1 VAL 202.A O no hydrogen 2.691 N/A THR 205.A OG1 TYR 229.A OH no hydrogen 2.673 N/A SER 206.A N VAL 203.A O no hydrogen 2.853 N/A SER 206.A OG ASP 144.A OD1 no hydrogen 3.561 N/A SER 206.A OG VAL 203.A O no hydrogen 2.854 N/A MET 208.A N THR 205.A O no hydrogen 2.982 N/A ARG 209.A N SER 206.A O no hydrogen 3.017 N/A SER 212.A N MET 208.A O no hydrogen 2.991 N/A SER 212.A OG THR 136.A OG1 no hydrogen 2.863 N/A SER 212.A OG ASN 230.A O no hydrogen 2.893 N/A THR 214.A OG1 ASN 230.A OD1 no hydrogen 3.056 N/A VAL 215.A N ALA 134.A O no hydrogen 2.767 N/A GLU 216.A N ARG 228.A O no hydrogen 2.824 N/A ILE 217.A N ALA 132.A O no hydrogen 2.699 N/A ALA 218.A N LYS 226.A O no hydrogen 3.084 N/A PHE 219.A N PHE 130.A O no hydrogen 3.220 N/A GLN 222.A N SER 195.A OG no hydrogen 2.904 N/A LEU 225.A N ILE 241.A O no hydrogen 2.726 N/A LYS 226.A N ALA 218.A O no hydrogen 2.740 N/A LYS 226.A NZ ASP 238.A OD2 no hydrogen 3.533 N/A LYS 226.A NZ TYR 240.A OH no hydrogen 3.421 N/A LEU 227.A N PHE 239.A O no hydrogen 2.925 N/A ARG 228.A N GLU 216.A O no hydrogen 2.984 N/A ARG 228.A NE ASP 238.A OD1 no hydrogen 2.856 N/A ARG 228.A NE ASP 238.A OD2 no hydrogen 3.400 N/A ARG 228.A NH2 ASP 238.A OD2 no hydrogen 2.850 N/A TYR 229.A N ALA 237.A O no hydrogen 3.091 N/A TYR 229.A OH THR 205.A OG1 no hydrogen 2.673 N/A ASN 230.A N THR 214.A O no hydrogen 2.869 N/A LEU 231.A N GLY 235.A O no hydrogen 2.815 N/A GLY 235.A N PRO 232.A O no hydrogen 3.127 N/A TYR 236.A N LEU 50.A O no hydrogen 2.959 N/A ALA 237.A N TYR 229.A O no hydrogen 2.952 N/A ASP 238.A N ASP 48.A O no hydrogen 2.725 N/A PHE 239.A N LEU 227.A O no hydrogen 2.930 N/A TYR 240.A N PHE 46.A O no hydrogen 2.692 N/A ILE 241.A N LEU 225.A O no hydrogen 2.782 N/A ALA 242.A N VAL 44.A O no hydrogen 3.075 N/A ARG 244.A N VAL 196.A O no hydrogen 2.745 N/A