Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3oac_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 52.A OE1 no hydrogen 2.689 N/A ALA 5.A N GLN 1.A O no hydrogen 2.897 N/A ALA 6.A N PRO 2.A O no hydrogen 2.986 N/A ILE 7.A N TYR 3.A O no hydrogen 3.137 N/A ILE 7.A N TRP 4.A O no hydrogen 3.067 N/A GLU 8.A N TRP 4.A O no hydrogen 3.085 N/A ALA 9.A N ALA 5.A O no hydrogen 3.005 N/A ASP 10.A N ALA 6.A O no hydrogen 3.310 N/A ILE 11.A N ILE 7.A O no hydrogen 3.055 N/A GLU 12.A N GLU 8.A O no hydrogen 2.850 N/A ARG 13.A N ALA 9.A O no hydrogen 2.879 N/A TYR 14.A N ASP 10.A O no hydrogen 3.038 N/A LEU 15.A N ILE 11.A O no hydrogen 2.989 N/A LYS 16.A N GLU 12.A O no hydrogen 2.836 N/A LYS 16.A NZ GLU 12.A OE2 no hydrogen 2.360 N/A LYS 17.A N ARG 13.A O no hydrogen 2.901 N/A SER 18.A N LEU 15.A O no hydrogen 3.031 N/A SER 18.A OG TYR 14.A O no hydrogen 2.375 N/A ILE 19.A N LEU 15.A O no hydrogen 2.697 N/A ARG 22.A NH1 THR 20.A O no hydrogen 2.688 N/A VAL 27.A N PRO 24.A O no hydrogen 2.648 N/A PHE 28.A N PRO 24.A O no hydrogen 3.160 N/A GLY 29.A N GLU 25.A O no hydrogen 3.011 N/A MET 31.A N VAL 27.A O no hydrogen 3.230 N/A HIS 32.A N PHE 28.A O no hydrogen 2.816 N/A HIS 33.A N GLY 29.A O no hydrogen 2.994 N/A LEU 34.A N PRO 30.A O no hydrogen 2.946 N/A THR 35.A N MET 31.A O no hydrogen 3.269 N/A THR 35.A OG1 MET 31.A O no hydrogen 2.672 N/A PHE 36.A N HIS 32.A O no hydrogen 3.178 N/A ALA 43.A N THR 41.A OG1 no hydrogen 3.022 N/A SER 44.A N THR 41.A O no hydrogen 3.049 N/A SER 44.A OG ALA 65.A O no hydrogen 3.176 N/A LEU 46.A N ALA 42.A O no hydrogen 2.899 N/A CYS 47.A N SER 44.A O no hydrogen 3.103 N/A CYS 47.A SG ALA 61.A O no hydrogen 3.905 N/A CYS 47.A SG GLY 175.A O no hydrogen 3.979 N/A ALA 49.A N THR 45.A O no hydrogen 3.002 N/A ALA 50.A N LEU 46.A O no hydrogen 2.906 N/A CYS 51.A N CYS 47.A O no hydrogen 3.213 N/A CYS 51.A SG ASP 57.A O no hydrogen 3.865 N/A CYS 51.A SG GLY 179.A O no hydrogen 3.974 N/A GLU 52.A N LEU 48.A O no hydrogen 2.994 N/A LEU 53.A N ALA 49.A O no hydrogen 2.702 N/A VAL 54.A N ALA 50.A O no hydrogen 3.066 N/A GLY 55.A N GLU 52.A O no hydrogen 3.133 N/A GLY 56.A N CYS 51.A O no hydrogen 3.082 N/A ARG 58.A NE GLU 52.A OE2 no hydrogen 3.370 N/A ARG 58.A NH1 ASP 10.A OD1 no hydrogen 3.447 N/A ARG 58.A NH2 GLU 52.A OE1 no hydrogen 3.057 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.718 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 3.337 N/A GLN 60.A N ASP 57.A O no hydrogen 2.203 N/A ALA 61.A N ARG 58.A O no hydrogen 2.833 N/A ALA 65.A N ALA 61.A O no hydrogen 2.756 N/A ALA 66.A N MET 62.A O no hydrogen 2.773 N/A ALA 67.A N ALA 63.A O no hydrogen 2.824 N/A ILE 68.A N ALA 64.A O no hydrogen 2.837 N/A HIS 69.A N ALA 65.A O no hydrogen 3.054 N/A HIS 69.A NE2 THR 35.A O no hydrogen 2.956 N/A LEU 70.A N ALA 66.A O no hydrogen 3.024 N/A VAL 71.A N ALA 67.A O no hydrogen 2.963 N/A HIS 72.A N ILE 68.A O no hydrogen 3.101 N/A HIS 72.A NE2 PRO 39.A O no hydrogen 3.057 N/A ALA 73.A N HIS 69.A O no hydrogen 2.822 N/A ALA 74.A N LEU 70.A O no hydrogen 2.914 N/A ALA 75.A N VAL 71.A O no hydrogen 3.221 N/A TYR 76.A N HIS 72.A O no hydrogen 3.048 N/A VAL 77.A N ALA 73.A O no hydrogen 3.102 N/A HIS 78.A N ALA 74.A O no hydrogen 3.146 N/A HIS 78.A NE2 LEU 95.A O no hydrogen 3.031 N/A GLU 79.A N ALA 75.A O no hydrogen 2.995 N/A HIS 80.A N TYR 76.A O no hydrogen 3.183 N/A HIS 80.A N VAL 77.A O no hydrogen 2.981 N/A HIS 80.A ND1 TYR 76.A O no hydrogen 2.899 N/A ALA 84.A N PRO 82.A O no hydrogen 2.813 N/A VAL 93.A N ASN 92.A OD1 no hydrogen 2.790 N/A GLU 94.A N GLY 90.A O no hydrogen 3.089 N/A LEU 95.A N PRO 91.A O no hydrogen 3.010 N/A LEU 96.A N ASN 92.A O no hydrogen 3.021 N/A THR 97.A N VAL 93.A O no hydrogen 2.888 N/A THR 97.A OG1 VAL 93.A O no hydrogen 2.349 N/A GLY 98.A N GLU 94.A O no hydrogen 2.926 N/A ASP 99.A N LEU 95.A O no hydrogen 3.188 N/A GLY 100.A N THR 97.A O no hydrogen 3.057 N/A ILE 101.A N THR 97.A O no hydrogen 2.953 N/A ILE 101.A N GLY 98.A O no hydrogen 3.042 N/A VAL 102.A N GLY 98.A O no hydrogen 3.443 N/A PHE 104.A N GLY 100.A O no hydrogen 3.421 N/A GLY 105.A N ILE 101.A O no hydrogen 3.189 N/A GLY 105.A N VAL 102.A O no hydrogen 2.931 N/A PHE 106.A N VAL 102.A O no hydrogen 3.447 N/A GLU 107.A N PRO 103.A O no hydrogen 2.992 N/A LEU 108.A N PHE 104.A O no hydrogen 3.039 N/A LEU 109.A N GLY 105.A O no hydrogen 3.395 N/A ALA 110.A N PHE 106.A O no hydrogen 3.043 N/A GLY 111.A N GLU 107.A O no hydrogen 2.909 N/A SER 112.A N LEU 109.A O no hydrogen 3.125 N/A SER 112.A OG LEU 109.A O no hydrogen 2.627 N/A VAL 113.A N ALA 110.A O no hydrogen 3.522 N/A ASP 114.A N ASP 120.A OD2 no hydrogen 2.485 N/A ALA 116.A N ASP 114.A OD1 no hydrogen 3.036 N/A ARG 117.A N ASP 114.A O no hydrogen 3.382 N/A ASP 120.A N ARG 117.A O no hydrogen 3.160 N/A ARG 123.A N ASP 119.A O no hydrogen 3.501 N/A ARG 123.A NH2 LEU 182.A O no hydrogen 2.999 N/A ILE 124.A N ASP 120.A O no hydrogen 2.875 N/A LEU 125.A N PRO 121.A O no hydrogen 2.923 N/A ARG 126.A N ASP 122.A O no hydrogen 3.199 N/A ARG 126.A NH1 GLU 187.A OE1 no hydrogen 2.958 N/A ARG 126.A NH2 GLU 187.A OE1 no hydrogen 3.481 N/A ARG 126.A NH2 GLU 187.A OE2 no hydrogen 3.070 N/A VAL 127.A N ARG 123.A O no hydrogen 3.053 N/A ILE 128.A N ILE 124.A O no hydrogen 3.090 N/A ILE 129.A N LEU 125.A O no hydrogen 2.998 N/A GLU 130.A N ARG 126.A O no hydrogen 2.961 N/A ILE 131.A N VAL 127.A O no hydrogen 2.827 N/A SER 132.A N ILE 128.A O no hydrogen 2.936 N/A SER 132.A OG ILE 128.A O no hydrogen 3.407 N/A SER 132.A OG ILE 129.A O no hydrogen 3.116 N/A ARG 133.A N ILE 129.A O no hydrogen 2.916 N/A ALA 134.A N GLU 130.A O no hydrogen 2.933 N/A GLY 135.A N ILE 131.A O no hydrogen 3.185 N/A GLY 136.A N ARG 133.A O no hydrogen 3.190 N/A GLY 139.A N GLY 136.A O no hydrogen 3.118 N/A MET 140.A N ALA 134.A O no hydrogen 2.922 N/A ILE 141.A N GLY 136.A O no hydrogen 3.394 N/A SER 142.A OG PRO 137.A O no hydrogen 3.305 N/A GLY 143.A N GLY 139.A O no hydrogen 3.287 N/A LEU 144.A N MET 140.A O no hydrogen 2.752 N/A HIS 145.A N ILE 141.A O no hydrogen 2.944 N/A ARG 146.A N SER 142.A O no hydrogen 3.180 N/A ARG 146.A NH1 GLU 149.A OE2 no hydrogen 2.940 N/A GLU 147.A N GLY 143.A O no hydrogen 3.085 N/A GLU 148.A N HIS 145.A O no hydrogen 3.310 N/A GLU 149.A N ARG 146.A O no hydrogen 2.840 N/A ILE 150.A N GLU 147.A O no hydrogen 2.904 N/A PHE 159.A N SER 156.A OG no hydrogen 3.393 N/A ILE 160.A N SER 156.A O no hydrogen 2.969 N/A GLU 161.A N LEU 157.A O no hydrogen 2.676 N/A TYR 162.A N ASP 158.A O no hydrogen 3.173 N/A VAL 163.A N PHE 159.A O no hydrogen 2.999 N/A CYS 164.A N ILE 160.A O no hydrogen 2.934 N/A CYS 164.A SG ILE 160.A O no hydrogen 3.482 N/A LYS 165.A N GLU 161.A O no hydrogen 2.875 N/A LYS 165.A N TYR 162.A O no hydrogen 2.982 N/A LYS 166.A N TYR 162.A O no hydrogen 3.048 N/A LYS 166.A NZ GLU 138.A O no hydrogen 2.304 N/A LYS 167.A N VAL 163.A O no hydrogen 2.783 N/A LYS 167.A NZ GLU 79.A OE1 no hydrogen 2.384 N/A LYS 167.A NZ GLU 147.A OE1 no hydrogen 3.269 N/A LYS 167.A NZ GLU 147.A OE2 no hydrogen 2.689 N/A LYS 167.A NZ TYR 168.A OH no hydrogen 3.367 N/A TYR 168.A N CYS 164.A O no hydrogen 3.016 N/A GLY 169.A N CYS 164.A O no hydrogen 2.962 N/A GLU 170.A N LYS 165.A O no hydrogen 2.852 N/A HIS 172.A N TYR 168.A O no hydrogen 3.124 N/A HIS 172.A ND1 TYR 168.A O no hydrogen 2.953 N/A ALA 173.A N GLY 169.A O no hydrogen 2.897 N/A CYS 174.A N GLU 170.A O no hydrogen 3.076 N/A GLY 175.A N MET 171.A O no hydrogen 2.970 N/A ALA 176.A N HIS 172.A O no hydrogen 2.885 N/A ALA 177.A N ALA 173.A O no hydrogen 2.741 N/A CYS 178.A N CYS 174.A O no hydrogen 2.883 N/A CYS 178.A SG CYS 174.A O no hydrogen 3.258 N/A GLY 179.A N GLY 175.A O no hydrogen 2.977 N/A ALA 180.A N ALA 176.A O no hydrogen 2.948 N/A ILE 181.A N ALA 177.A O no hydrogen 2.903 N/A LEU 182.A N CYS 178.A O no hydrogen 2.852 N/A GLY 183.A N GLY 179.A O no hydrogen 2.936 N/A GLY 184.A N ILE 181.A O no hydrogen 3.124 N/A ALA 185.A N ALA 180.A O no hydrogen 3.076 N/A ALA 186.A N GLU 189.A OE2 no hydrogen 2.620 N/A ILE 190.A N ALA 186.A O no hydrogen 2.957 N/A ILE 190.A N GLU 187.A O no hydrogen 3.243 N/A GLN 191.A N GLU 187.A O no hydrogen 2.989 N/A GLN 191.A NE2 ASN 195.A OD1 no hydrogen 3.019 N/A LYS 192.A N GLU 188.A O no hydrogen 3.141 N/A LEU 193.A N GLU 189.A O no hydrogen 3.254 N/A ARG 194.A N ILE 190.A O no hydrogen 2.713 N/A ARG 194.A NH1 GLU 130.A OE1 no hydrogen 2.750 N/A ARG 194.A NH2 GLU 130.A OE1 no hydrogen 3.014 N/A ARG 194.A NH2 GLU 130.A OE2 no hydrogen 3.029 N/A ASN 195.A N GLN 191.A O no hydrogen 2.999 N/A ASN 195.A ND2 GLU 231.A OE1 no hydrogen 2.623 N/A PHE 196.A N LYS 192.A O no hydrogen 2.872 N/A GLY 197.A N LEU 193.A O no hydrogen 2.751 N/A LEU 198.A N ARG 194.A O no hydrogen 2.966 N/A TYR 199.A N ASN 195.A O no hydrogen 3.166 N/A GLN 200.A N PHE 196.A O no hydrogen 3.040 N/A GLY 201.A N GLY 197.A O no hydrogen 2.974 N/A THR 202.A N LEU 198.A O no hydrogen 3.025 N/A THR 202.A OG1 LEU 198.A O no hydrogen 2.814 N/A LEU 203.A N TYR 199.A O no hydrogen 2.836 N/A ARG 204.A N GLN 200.A O no hydrogen 2.923 N/A GLY 205.A N GLY 201.A O no hydrogen 2.920 N/A MET 206.A N THR 202.A O no hydrogen 3.002 N/A MET 207.A N LEU 203.A O no hydrogen 3.131 N/A MET 207.A N ARG 204.A O no hydrogen 3.293 N/A GLU 208.A N ARG 204.A O no hydrogen 3.272 N/A MET 209.A N MET 206.A O no hydrogen 3.361 N/A LYS 210.A N MET 207.A O no hydrogen 2.763 N/A SER 212.A OG ASN 211.A OD1 no hydrogen 3.303 N/A HIS 213.A N MET 209.A O no hydrogen 3.159 N/A ILE 220.A N ASP 217.A O no hydrogen 2.826 N/A GLY 222.A N GLU 218.A O no hydrogen 3.283 N/A LYS 223.A N ASN 219.A O no hydrogen 2.945 N/A LYS 223.A NZ GLU 161.A OE1 no hydrogen 3.207 N/A LYS 223.A NZ GLU 161.A OE2 no hydrogen 3.538 N/A LEU 224.A N ILE 220.A O no hydrogen 3.116 N/A LYS 225.A N ILE 221.A O no hydrogen 3.220 N/A GLU 226.A N GLY 222.A O no hydrogen 3.125 N/A LEU 227.A N LYS 223.A O no hydrogen 2.975 N/A ALA 228.A N LEU 224.A O no hydrogen 2.837 N/A LEU 229.A N LYS 225.A O no hydrogen 3.017 N/A GLU 230.A N GLU 226.A O no hydrogen 2.975 N/A GLU 231.A N LEU 227.A O no hydrogen 3.364 N/A LEU 232.A N ALA 228.A O no hydrogen 3.317 N/A GLY 233.A N GLU 230.A O no hydrogen 3.351 N/A ALA 240.A N GLY 237.A O no hydrogen 2.706 N/A GLU 241.A N LYS 238.A O no hydrogen 2.823 N/A MET 243.A N ASN 239.A O no hydrogen 2.625 N/A SER 244.A OG GLU 241.A O no hydrogen 3.089 N/A SER 245.A N MET 243.A O no hydrogen 2.594 N/A SER 245.A OG LEU 242.A O no hydrogen 2.690 N/A