Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bmc_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N GLU 1.A OE1 no hydrogen 3.042 N/A ALA 4.A N ASP 87.A OD1 no hydrogen 2.805 N/A ALA 5.A N ARG 28.A O no hydrogen 2.796 N/A VAL 6.A N VAL 88.A O no hydrogen 2.804 N/A VAL 7.A N VAL 30.A O no hydrogen 3.252 N/A THR 8.A N VAL 90.A O no hydrogen 3.177 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.455 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.910 N/A ALA 10.A N HIS 32.A O no hydrogen 2.753 N/A ARG 13.A NH1 LEU 189.A O no hydrogen 2.809 N/A ARG 13.A NH2 LEU 188.A O no hydrogen 2.873 N/A ARG 16.A N LYS 12.A O no hydrogen 2.943 N/A ALA 17.A N ARG 13.A O no hydrogen 3.204 N/A ILE 18.A N ILE 14.A O no hydrogen 2.946 N/A ALA 19.A N GLY 15.A O no hydrogen 3.030 N/A VAL 20.A N ARG 16.A O no hydrogen 2.845 N/A LYS 21.A N ALA 17.A O no hydrogen 2.983 N/A LYS 21.A NZ ASP 219.A OD1 no hydrogen 3.375 N/A LEU 22.A N ILE 18.A O no hydrogen 2.855 N/A HIS 23.A N ALA 19.A O no hydrogen 3.005 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.738 N/A GLN 24.A N VAL 20.A O no hydrogen 2.839 N/A THR 25.A N LYS 21.A O no hydrogen 2.932 N/A THR 25.A OG1 LYS 21.A O no hydrogen 3.144 N/A GLY 26.A N LEU 22.A O no hydrogen 3.057 N/A TYR 27.A N LEU 22.A O no hydrogen 3.021 N/A ARG 28.A N PRO 3.A O no hydrogen 2.867 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.247 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.661 N/A VAL 29.A N THR 54.A O no hydrogen 2.911 N/A VAL 30.A N ALA 5.A O no hydrogen 2.879 N/A ILE 31.A N VAL 56.A O no hydrogen 2.762 N/A HIS 32.A N VAL 7.A O no hydrogen 3.028 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.778 N/A TYR 33.A N CYS 58.A O no hydrogen 3.224 N/A ALA 37.A N ASN 35.A O no hydrogen 3.007 N/A ALA 40.A N SER 36.A O no hydrogen 2.944 N/A VAL 41.A N ALA 37.A O no hydrogen 2.922 N/A SER 42.A N GLU 38.A O no hydrogen 2.961 N/A LEU 43.A N ALA 39.A O no hydrogen 3.076 N/A ALA 44.A N ALA 40.A O no hydrogen 3.073 N/A ASP 45.A N VAL 41.A O no hydrogen 2.875 N/A GLU 46.A N SER 42.A O no hydrogen 3.063 N/A LEU 47.A N LEU 43.A O no hydrogen 2.963 N/A ASN 48.A N ALA 44.A O no hydrogen 2.850 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.918 N/A LYS 49.A N ASP 45.A O no hydrogen 2.816 N/A GLU 50.A N GLU 46.A O no hydrogen 3.385 N/A ARG 51.A N LEU 47.A O no hydrogen 3.076 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.925 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.876 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.738 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.599 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.749 N/A VAL 56.A N VAL 29.A O no hydrogen 3.185 N/A CYS 58.A N ILE 31.A O no hydrogen 2.999 N/A CYS 58.A SG SER 78.A OG.A no hydrogen 3.362 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 2.959 N/A ALA 60.A N TYR 33.A O no hydrogen 3.157 N/A THR 63.A N ASP 61.A OD1 no hydrogen 2.945 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.603 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.118 N/A ASN 64.A N ALA 111.A O no hydrogen 2.909 N/A VAL 67.A N SER 65.A OG no hydrogen 3.304 N/A LEU 68.A N SER 65.A O no hydrogen 3.457 N/A SER 71.A N VAL 67.A O no hydrogen 2.894 N/A SER 71.A OG VAL 67.A O no hydrogen 3.467 N/A CYS 72.A N LEU 68.A O no hydrogen 2.787 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.357 N/A CYS 72.A SG ALA 120.A O no hydrogen 3.835 N/A GLU 73.A N PRO 69.A O no hydrogen 2.924 N/A GLU 74.A N ALA 70.A O no hydrogen 3.067 N/A ILE 75.A N SER 71.A O no hydrogen 3.100 N/A ILE 76.A N CYS 72.A O no hydrogen 3.374 N/A ASN 77.A N GLU 73.A O no hydrogen 2.940 N/A SER 78.A N GLU 74.A O no hydrogen 2.900 N/A SER 78.A OG.A GLU 74.A O no hydrogen 3.563 N/A SER 78.A OG.A ILE 75.A O no hydrogen 2.644 N/A SER 78.A OG.B GLU 74.A O no hydrogen 3.289 N/A SER 78.A OG.B GLU 74.A OE2 no hydrogen 3.079 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.242 N/A PHE 80.A N ILE 76.A O no hydrogen 3.307 N/A ARG 81.A N ASN 77.A O no hydrogen 2.922 N/A ARG 81.A NH1 SER 78.A OG.B no hydrogen 2.787 N/A ARG 81.A NH2 GLU 74.A OE2 no hydrogen 2.272 N/A ALA 82.A N SER 78.A O no hydrogen 2.921 N/A PHE 83.A N CYS 79.A O no hydrogen 2.854 N/A GLY 84.A N PHE 80.A O no hydrogen 2.837 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.826 N/A ARG 85.A NE ASP 87.A OD2 no hydrogen 3.234 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 2.723 N/A ASP 87.A N ALA 4.A O no hydrogen 2.733 N/A VAL 88.A N ALA 4.A O no hydrogen 3.110 N/A LEU 89.A N SER 135.A O no hydrogen 3.327 N/A VAL 90.A N VAL 6.A O no hydrogen 2.743 N/A ASN 91.A N VAL 137.A O no hydrogen 2.816 N/A ASN 91.A ND2 ASN 138.A OD1 no hydrogen 2.747 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.903 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.137 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.982 N/A SER 94.A OG ALA 95.A O no hydrogen 3.310 N/A SER 94.A OG ASN 117.A OD1 no hydrogen 2.905 N/A ALA 95.A N THR 116.A OG1 no hydrogen 2.909 N/A TYR 97.A OH GLU 112.A OE1 no hydrogen 2.717 N/A THR 99.A N ALA 150.A O no hydrogen 2.767 N/A LYS 104.A NZ GLU 112.A OE1 no hydrogen 2.925 N/A THR 105.A OG1 THR 108.A OG1 no hydrogen 2.947 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.965 N/A THR 108.A N THR 105.A O no hydrogen 2.978 N/A THR 108.A N THR 105.A OG1 no hydrogen 3.343 N/A THR 108.A OG1 THR 105.A OG1 no hydrogen 2.947 N/A GLN 109.A N THR 105.A O no hydrogen 3.004 N/A VAL 110.A N VAL 106.A O no hydrogen 2.877 N/A ALA 111.A N GLU 107.A O no hydrogen 3.038 N/A GLU 112.A N THR 108.A O no hydrogen 2.780 N/A LEU 113.A N GLN 109.A O no hydrogen 3.012 N/A ILE 114.A N VAL 110.A O no hydrogen 2.865 N/A GLY 115.A N ALA 111.A O no hydrogen 3.071 N/A THR 116.A N GLU 112.A O no hydrogen 2.935 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.692 N/A THR 116.A OG1 LEU 113.A O no hydrogen 3.547 N/A ASN 117.A N LEU 113.A O no hydrogen 3.262 N/A ASN 117.A ND2 ALA 95.A O no hydrogen 3.164 N/A ASN 117.A ND2 LEU 113.A O no hydrogen 2.894 N/A ALA 118.A N ILE 114.A O no hydrogen 3.059 N/A ILE 119.A N ILE 114.A O no hydrogen 3.001 N/A ALA 120.A N GLY 115.A O no hydrogen 2.716 N/A PHE 122.A N ALA 118.A O no hydrogen 2.925 N/A LEU 123.A N ILE 119.A O no hydrogen 2.824 N/A LEU 124.A N ALA 120.A O no hydrogen 2.706 N/A THR 125.A N PRO 121.A O no hydrogen 2.966 N/A THR 125.A OG1 PRO 121.A O no hydrogen 2.598 N/A MET 126.A N PHE 122.A O no hydrogen 3.025 N/A SER 127.A N LEU 123.A O no hydrogen 2.994 N/A SER 127.A OG LEU 123.A O no hydrogen 3.342 N/A PHE 128.A N LEU 124.A O no hydrogen 2.793 N/A ALA 129.A N THR 125.A O no hydrogen 2.940 N/A GLN 130.A N MET 126.A O no hydrogen 2.918 N/A GLN 130.A NE2.A GLN 130.A O no hydrogen 3.626 N/A ARG 131.A N SER 127.A O no hydrogen 2.926 N/A ARG 131.A NE ASN 77.A OD1 no hydrogen 2.736 N/A ARG 131.A NH2 ASN 77.A OD1 no hydrogen 3.264 N/A GLN 132.A N ALA 129.A O no hydrogen 3.309 N/A GLN 132.A NE2 CYS 86.A O no hydrogen 2.912 N/A GLN 132.A NE2 PHE 128.A O no hydrogen 3.171 N/A ASN 133.A ND2 VAL 225.A O no hydrogen 2.592 N/A SER 135.A N ASP 87.A O no hydrogen 3.293 N/A ILE 136.A N ARG 178.A O no hydrogen 2.686 N/A VAL 137.A N LEU 89.A O no hydrogen 2.810 N/A ASN 138.A N ASN 180.A O no hydrogen 2.872 N/A ASN 138.A ND2 THR 165.A OG1 no hydrogen 2.874 N/A LEU 139.A N ASN 91.A O no hydrogen 2.973 N/A CYS 140.A N VAL 182.A O no hydrogen 2.752 N/A CYS 140.A SG ASN 138.A O no hydrogen 3.650 N/A ALA 142.A N PRO 184.A O no hydrogen 3.115 N/A MET 143.A N ASP 141.A OD1 no hydrogen 2.800 N/A VAL 144.A N ASP 141.A O no hydrogen 3.131 N/A GLN 146.A N MET 143.A O no hydrogen 2.881 N/A SER 152.A OG.A THR 99.A O no hydrogen 3.424 N/A LEU 153.A N THR 99.A OG1 no hydrogen 3.209 N/A ASN 155.A N PHE 151.A O no hydrogen 2.911 N/A ASN 155.A ND2 VAL 144.A O no hydrogen 3.048 N/A MET 156.A N SER 152.A O no hydrogen 2.855 N/A GLY 157.A N LEU 153.A O no hydrogen 3.031 N/A LYS 158.A N TYR 154.A O no hydrogen 2.943 N/A LYS 158.A NZ ASN 117.A OD1 no hydrogen 3.066 N/A LYS 158.A NZ LEU 139.A O no hydrogen 2.771 N/A HIS 159.A N ASN 155.A O no hydrogen 2.943 N/A HIS 159.A NE2 ASP 145.A OD1 no hydrogen 3.027 N/A ALA 160.A N MET 156.A O no hydrogen 2.780 N/A LEU 161.A N GLY 157.A O no hydrogen 2.750 N/A VAL 162.A N LYS 158.A O no hydrogen 3.102 N/A GLY 163.A N HIS 159.A O no hydrogen 3.096 N/A LEU 164.A N ALA 160.A O no hydrogen 2.881 N/A THR 165.A N LEU 161.A O no hydrogen 2.801 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.819 N/A GLN 166.A N VAL 162.A O no hydrogen 3.150 N/A SER 167.A N GLY 163.A O no hydrogen 2.880 N/A SER 167.A OG GLY 163.A O no hydrogen 2.758 N/A ALA 168.A N LEU 164.A O no hydrogen 2.770 N/A ALA 169.A N THR 165.A O no hydrogen 3.136 N/A LEU 170.A N GLN 166.A O no hydrogen 3.173 N/A GLU 171.A N SER 167.A O no hydrogen 3.005 N/A LEU 172.A N ALA 168.A O no hydrogen 2.680 N/A TYR 175.A N LEU 172.A O no hydrogen 2.863 N/A GLY 176.A N ALA 173.A O no hydrogen 3.018 N/A ILE 177.A N LEU 172.A O no hydrogen 3.150 N/A ARG 178.A N LEU 134.A O no hydrogen 3.032 N/A ARG 178.A NE ASN 133.A OD1 no hydrogen 3.531 N/A ARG 178.A NH1 LEU 224.A O no hydrogen 2.935 N/A ARG 178.A NH1 ILE 232.A O no hydrogen 3.103 N/A ARG 178.A NH2 ASN 133.A OD1 no hydrogen 3.262 N/A ARG 178.A NH2 LEU 224.A O no hydrogen 2.722 N/A VAL 179.A N THR 233.A OG1 no hydrogen 2.878 N/A ASN 180.A N ILE 136.A O no hydrogen 2.935 N/A ASN 180.A ND2 ILE 232.A O no hydrogen 2.902 N/A GLY 181.A N SER 235.A O no hydrogen 2.823 N/A VAL 182.A N ASN 138.A O no hydrogen 3.018 N/A ALA 183.A N ILE 237.A O no hydrogen 2.884 N/A SER 187.A OG ALA 212.A O no hydrogen 2.907 N/A LYS 198.A N GLY 194.A O no hydrogen 3.135 N/A ASP 199.A N GLU 195.A O no hydrogen 2.936 N/A LYS 200.A N GLU 196.A O no hydrogen 3.133 N/A TRP 201.A N GLU 197.A O no hydrogen 3.328 N/A ARG 202.A N LYS 198.A O no hydrogen 3.098 N/A ARG 202.A NE GLU 211.A OE2 no hydrogen 2.653 N/A ARG 202.A NH1 GLU 195.A OE2 no hydrogen 2.841 N/A ARG 202.A NH1 ASP 199.A OD1 no hydrogen 3.014 N/A ARG 202.A NH2 GLU 211.A OE1 no hydrogen 2.875 N/A ARG 202.A NH2 GLU 211.A OE2 no hydrogen 3.506 N/A ARG 203.A N ASP 199.A O no hydrogen 2.941 N/A LYS 204.A N TRP 201.A O no hydrogen 3.086 N/A VAL 205.A N ARG 202.A O no hydrogen 3.087 N/A LEU 207.A N GLY 241.A O no hydrogen 2.910 N/A GLY 208.A N PRO 206.A O no hydrogen 3.075 N/A ARG 209.A N VAL 205.A O no hydrogen 3.255 N/A ARG 209.A NE ARG 203.A O no hydrogen 2.912 N/A GLU 211.A N GLU 211.A OE2 no hydrogen 2.770 N/A ALA 212.A N VAL 186.A O no hydrogen 3.100 N/A SER 213.A N GLN 216.A OE1 no hydrogen 3.132 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.593 N/A GLN 216.A N SER 213.A OG no hydrogen 3.187 N/A ILE 217.A N SER 213.A O no hydrogen 3.348 N/A ALA 218.A N ALA 214.A O no hydrogen 2.883 N/A ASP 219.A N GLU 215.A O no hydrogen 2.776 N/A ALA 220.A N ILE 217.A O no hydrogen 3.207 N/A ILE 222.A N ALA 218.A O no hydrogen 2.864 N/A PHE 223.A N ASP 219.A O no hydrogen 2.953 N/A LEU 224.A N ALA 220.A O no hydrogen 2.987 N/A VAL 225.A N VAL 221.A O no hydrogen 2.931 N/A SER 226.A N PHE 223.A O no hydrogen 3.168 N/A SER 226.A OG PHE 223.A O no hydrogen 2.600 N/A SER 228.A N SER 226.A OG no hydrogen 3.204 N/A ALA 229.A N SER 226.A O no hydrogen 3.271 N/A ILE 232.A N ALA 229.A O no hydrogen 2.912 N/A THR 233.A OG1 VAL 179.A O no hydrogen 3.385 N/A GLY 234.A N VAL 179.A O no hydrogen 2.573 N/A SER 235.A N ASN 180.A OD1 no hydrogen 2.697 N/A ILE 237.A N GLY 181.A O no hydrogen 2.840 N/A LYS 238.A NZ SER 244.A OG no hydrogen 3.363 N/A VAL 239.A N ALA 183.A O no hydrogen 2.877 N/A GLY 242.A N ASP 240.A OD1 no hydrogen 2.786 N/A LEU 243.A N ASP 240.A O no hydrogen 3.033 N/A SER 244.A N ASP 240.A OD2 no hydrogen 3.075 N/A SER 244.A OG ASP 240.A OD2 no hydrogen 2.610 N/A LEU 245.A N GLY 242.A O no hydrogen 3.023 N/A VAL 246.A N LEU 243.A O no hydrogen 3.028 N/A HIS 247.A ND1 ALA 248.A OXT no hydrogen 2.826 N/A