Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mgc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N HIS 3.A ND1 no hydrogen 2.975 N/A HIS 6.A N HIS 3.A O no hydrogen 3.229 N/A HIS 7.A NE2 HIS 4.A O no hydrogen 3.179 N/A HIS 8.A N HIS 5.A O no hydrogen 2.878 N/A SER 9.A N HIS 6.A O no hydrogen 2.967 N/A LEU 12.A N SER 10.A OG no hydrogen 3.285 N/A HIS 18.A N HIS 18.A ND1 no hydrogen 2.887 N/A MET 24.A N ASP 203.A OD1 no hydrogen 2.791 N/A GLY 26.A N GLU 83.A O no hydrogen 3.224 N/A ILE 27.A N ALA 104.A O no hydrogen 3.190 N/A ARG 28.A N VAL 85.A O no hydrogen 2.685 N/A ARG 28.A NE LEU 202.A O no hydrogen 3.111 N/A ARG 28.A NH1 MET 24.A O no hydrogen 2.573 N/A ARG 28.A NH1 GLY 26.A O no hydrogen 3.077 N/A ARG 28.A NH2 MET 24.A O no hydrogen 2.824 N/A ARG 28.A NH2 LEU 202.A O no hydrogen 3.097 N/A ARG 28.A NH2 ASP 203.A O no hydrogen 2.714 N/A TRP 29.A N LYS 107.A O no hydrogen 3.063 N/A TRP 29.A NE1 THR 105.A OG1 no hydrogen 2.697 N/A ILE 30.A N VAL 87.A O no hydrogen 2.943 N/A ALA 31.A N LEU 109.A O no hydrogen 2.709 N/A SER 32.A N THR 89.A O no hydrogen 3.444 N/A SER 32.A OG TYR 33.A O no hydrogen 2.749 N/A TYR 33.A OH GLY 157.A O no hydrogen 2.366 N/A LYS 35.A NZ ASP 59.A OD1 no hydrogen 2.985 N/A ALA 36.A N TYR 33.A O no hydrogen 3.203 N/A ASN 38.A N SER 32.A OG no hydrogen 3.154 N/A ASN 38.A ND2 ILE 30.A O no hydrogen 3.559 N/A ASN 38.A ND2 THR 89.A O no hydrogen 2.955 N/A ASN 38.A ND2 HIS 90.A ND1 no hydrogen 3.356 N/A VAL 41.A N GLY 37.A O no hydrogen 3.096 N/A ARG 42.A N ASN 38.A O no hydrogen 2.986 N/A ARG 42.A NH1 ARG 42.A O no hydrogen 2.693 N/A CYS 43.A N THR 39.A O no hydrogen 2.864 N/A CYS 43.A SG THR 39.A O no hydrogen 3.556 N/A MET 44.A N TRP 40.A O no hydrogen 2.891 N/A LEU 45.A N VAL 41.A O no hydrogen 2.896 N/A ALA 46.A N ARG 42.A O no hydrogen 3.369 N/A ALA 47.A N CYS 43.A O no hydrogen 3.059 N/A TYR 48.A N MET 44.A O no hydrogen 2.972 N/A ILE 49.A N LEU 45.A O no hydrogen 2.975 N/A THR 50.A N ALA 46.A O no hydrogen 2.598 N/A GLY 51.A N ALA 47.A O no hydrogen 2.815 N/A TRP 57.A N ASP 61.A OD2 no hydrogen 2.671 N/A ASP 61.A N ASN 58.A OD1 no hydrogen 3.227 N/A ALA 62.A N ASN 58.A O no hydrogen 3.035 N/A GLU 63.A N ASP 59.A O no hydrogen 2.902 N/A SER 64.A N ILE 60.A O no hydrogen 3.260 N/A SER 64.A N ASP 61.A O no hydrogen 3.010 N/A SER 64.A OG ILE 60.A O no hydrogen 2.923 N/A SER 64.A OG ASP 61.A O no hydrogen 2.606 N/A LEU 65.A N ALA 62.A O no hydrogen 3.349 N/A THR 66.A N GLU 63.A O no hydrogen 3.270 N/A THR 66.A OG1 GLU 63.A O no hydrogen 3.119 N/A THR 66.A OG1 GLU 68.A OE1 no hydrogen 3.235 N/A LEU 67.A N LYS 88.A O no hydrogen 2.868 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.389 N/A ALA 69.A N THR 66.A OG1 no hydrogen 3.074 N/A MET 70.A N THR 66.A O no hydrogen 3.157 N/A LEU 71.A N LEU 67.A O no hydrogen 2.797 N/A ARG 72.A N GLU 68.A O no hydrogen 3.036 N/A PHE 73.A N MET 70.A O no hydrogen 3.368 N/A GLY 74.A N LEU 71.A O no hydrogen 2.694 N/A ASP 75.A N MET 70.A O no hydrogen 3.201 N/A LEU 76.A N ASP 75.A OD1 no hydrogen 2.811 N/A VAL 85.A N GLY 26.A O no hydrogen 3.147 N/A VAL 87.A N ARG 28.A O no hydrogen 3.047 N/A LYS 88.A NZ THR 39.A OG1 no hydrogen 2.319 N/A LYS 88.A NZ ALA 62.A O no hydrogen 3.163 N/A THR 89.A N ILE 30.A O no hydrogen 3.166 N/A THR 89.A OG1 GLU 68.A OE1 no hydrogen 2.861 N/A HIS 90.A N GLU 68.A OE2 no hydrogen 2.870 N/A HIS 90.A ND1 SER 32.A O no hydrogen 2.931 N/A LEU 91.A N THR 89.A OG1 no hydrogen 2.888 N/A LYS 92.A N GLY 155.A O no hydrogen 3.179 N/A ALA 93.A N SER 165.A OG no hydrogen 2.917 N/A VAL 95.A N LYS 92.A O no hydrogen 3.285 N/A LEU 98.A N VAL 95.A O no hydrogen 3.209 N/A GLY 99.A N PRO 96.A O no hydrogen 2.716 N/A LEU 100.A N VAL 97.A O no hydrogen 3.072 N/A TYR 101.A N LEU 98.A O no hydrogen 3.222 N/A TYR 101.A OH PRO 77.A O no hydrogen 2.620 N/A THR 105.A N TYR 101.A O no hydrogen 2.834 N/A THR 105.A OG1 TYR 101.A O no hydrogen 2.929 N/A ALA 106.A N ILE 27.A O no hydrogen 2.891 N/A LYS 107.A N ILE 27.A O no hydrogen 3.200 N/A LYS 107.A NZ PHE 201.A O no hydrogen 3.126 N/A VAL 108.A N ASP 178.A O no hydrogen 2.856 N/A LEU 109.A N TRP 29.A O no hydrogen 2.973 N/A TYR 110.A N LEU 180.A O no hydrogen 2.818 N/A TYR 110.A OH ASN 162.A OD1 no hydrogen 2.392 N/A LEU 111.A N ALA 31.A O no hydrogen 2.870 N/A VAL 112.A N MET 182.A O no hydrogen 3.197 N/A ARG 113.A NH1 LYS 35.A O no hydrogen 2.834 N/A ASN 114.A N GLU 185.A OE2 no hydrogen 2.688 N/A ARG 116.A N ASN 114.A OD1 no hydrogen 3.039 N/A ARG 116.A NH1 GLU 231.A OE2 no hydrogen 2.776 N/A ARG 116.A NH2 GLN 221.A O no hydrogen 3.078 N/A ARG 116.A NH2 GLU 231.A OE1 no hydrogen 3.211 N/A ARG 116.A NH2 GLU 231.A OE2 no hydrogen 3.013 N/A MET 118.A N ASN 114.A O no hydrogen 2.990 N/A LEU 119.A N PRO 115.A O no hydrogen 2.768 N/A LEU 120.A N ARG 116.A O no hydrogen 3.112 N/A SER 121.A N ASP 117.A O no hydrogen 2.673 N/A SER 122.A N MET 118.A O no hydrogen 2.730 N/A SER 122.A OG MET 118.A O no hydrogen 2.886 N/A MET 123.A N LEU 119.A O no hydrogen 3.190 N/A ARG 124.A N SER 121.A O no hydrogen 3.159 N/A ALA 126.A N SER 122.A O no hydrogen 3.471 N/A SER 127.A N ARG 124.A O no hydrogen 3.086 N/A ILE 128.A N MET 123.A O no hydrogen 3.312 N/A SER 136.A N ASP 132.A O no hydrogen 3.075 N/A SER 136.A OG ASP 132.A O no hydrogen 3.369 N/A ARG 137.A N VAL 133.A O no hydrogen 2.869 N/A ARG 137.A NE LEU 226.A O no hydrogen 3.376 N/A ARG 137.A NH2 ASP 229.A OD1 no hydrogen 2.997 N/A ASP 138.A N GLU 134.A O no hydrogen 3.221 N/A PHE 139.A N LYS 135.A O no hydrogen 2.990 N/A ALA 140.A N SER 136.A O no hydrogen 2.778 N/A ARG 141.A N ARG 137.A O no hydrogen 2.586 N/A LYS 142.A N ASP 138.A O no hydrogen 2.916 N/A PHE 143.A N PHE 139.A O no hydrogen 2.632 N/A ILE 144.A N ALA 140.A O no hydrogen 2.701 N/A ALA 145.A N ARG 141.A O no hydrogen 2.950 N/A ASN 146.A N LYS 142.A O no hydrogen 3.178 N/A ASN 146.A N PHE 143.A O no hydrogen 3.014 N/A GLU 147.A N ILE 144.A O no hydrogen 3.208 N/A GLY 148.A N PHE 143.A O no hydrogen 3.113 N/A LEU 149.A N TYR 33.A OH no hydrogen 2.946 N/A TRP 151.A N LEU 149.A O no hydrogen 3.078 N/A TRP 151.A NE1 GLY 148.A O no hydrogen 2.652 N/A TRP 159.A N GLU 147.A O no hydrogen 2.864 N/A GLU 161.A N SER 158.A OG no hydrogen 3.066 N/A ASN 162.A N SER 158.A O no hydrogen 2.948 N/A ASN 162.A ND2 HIS 90.A O no hydrogen 2.976 N/A ASN 162.A ND2 LEU 156.A O no hydrogen 3.130 N/A VAL 163.A N TRP 159.A O no hydrogen 2.917 N/A ARG 164.A N PRO 160.A O no hydrogen 2.814 N/A SER 165.A N GLU 161.A O no hydrogen 2.873 N/A SER 165.A N ASN 162.A O no hydrogen 3.053 N/A SER 165.A OG ASN 162.A O no hydrogen 2.763 N/A TRP 166.A N ASN 162.A O no hydrogen 3.248 N/A TRP 166.A NE1 LEU 91.A O no hydrogen 2.767 N/A THR 167.A N VAL 163.A O no hydrogen 3.056 N/A THR 167.A OG1 VAL 163.A O no hydrogen 2.616 N/A GLU 168.A N ARG 164.A O no hydrogen 3.107 N/A SER 169.A N TRP 166.A O no hydrogen 3.148 N/A SER 170.A OG ALA 177.A O no hydrogen 2.498 N/A SER 171.A OG GLU 168.A O no hydrogen 2.703 N/A PHE 174.A N SER 169.A O no hydrogen 2.857 N/A ASN 176.A ND2 GLU 103.A O no hydrogen 3.033 N/A ALA 177.A N PHE 174.A O no hydrogen 3.242 N/A ASP 178.A N ALA 106.A O no hydrogen 3.203 N/A LEU 180.A N VAL 108.A O no hydrogen 2.862 N/A MET 182.A N TYR 110.A O no hydrogen 3.001 N/A ARG 183.A NE TYR 251.A O no hydrogen 2.833 N/A ARG 183.A NH1 ASP 186.A OD2 no hydrogen 2.868 N/A ARG 183.A NH2 TYR 251.A O no hydrogen 3.281 N/A TYR 184.A N VAL 112.A O no hydrogen 2.700 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.748 N/A ASP 186.A N ARG 183.A O no hydrogen 2.851 N/A LEU 187.A N ARG 183.A O no hydrogen 3.296 N/A LYS 188.A N TYR 184.A O no hydrogen 2.841 N/A GLY 189.A N GLU 185.A O no hydrogen 2.974 N/A ASP 190.A N ASP 186.A O no hydrogen 3.001 N/A ALA 193.A N ASP 190.A OD1 no hydrogen 3.368 N/A ARG 194.A N ASP 190.A O no hydrogen 2.889 N/A PHE 195.A N PRO 191.A O no hydrogen 2.810 N/A SER 196.A N VAL 192.A O no hydrogen 3.076 N/A SER 196.A OG VAL 192.A O no hydrogen 3.450 N/A SER 196.A OG ALA 193.A O no hydrogen 2.584 N/A GLU 197.A N ALA 193.A O no hydrogen 3.185 N/A ILE 198.A N ARG 194.A O no hydrogen 3.083 N/A VAL 199.A N PHE 195.A O no hydrogen 2.858 N/A GLU 200.A N SER 196.A O no hydrogen 3.052 N/A PHE 201.A N GLU 197.A O no hydrogen 2.859 N/A LEU 202.A N ILE 198.A O no hydrogen 2.717 N/A ASP 203.A N GLU 200.A O no hydrogen 2.950 N/A ILE 213.A N ASP 209.A O no hydrogen 2.890 N/A ARG 214.A N ILE 210.A O no hydrogen 2.972 N/A ARG 215.A N GLU 211.A O no hydrogen 3.084 N/A ALA 216.A N ASP 212.A O no hydrogen 3.170 N/A VAL 217.A N ILE 213.A O no hydrogen 2.871 N/A VAL 217.A N ARG 214.A O no hydrogen 3.236 N/A ALA 218.A N ARG 214.A O no hydrogen 3.033 N/A ALA 219.A N ARG 215.A O no hydrogen 3.391 N/A SER 222.A OG SER 224.A OG no hydrogen 2.964 N/A SER 222.A OG GLU 231.A OE1 no hydrogen 3.475 N/A LEU 223.A N GLU 231.A OE1 no hydrogen 2.455 N/A SER 224.A N SER 222.A OG no hydrogen 3.348 N/A SER 224.A OG SER 222.A OG no hydrogen 2.964 N/A GLY 227.A N SER 224.A O no hydrogen 2.547 N/A ILE 230.A N GLY 227.A O no hydrogen 2.784 N/A GLU 231.A N GLY 227.A O no hydrogen 3.400 N/A SER 232.A N GLU 228.A O no hydrogen 2.953 N/A ASP 233.A N ASP 229.A O no hydrogen 2.904 N/A TYR 234.A N ILE 230.A O no hydrogen 2.918 N/A GLN 235.A N GLU 231.A O no hydrogen 3.135 N/A GLN 235.A NE2 GLU 231.A OE2 no hydrogen 3.163 N/A GLU 236.A N SER 232.A O no hydrogen 3.347 N/A LEU 237.A N TYR 234.A O no hydrogen 2.967 N/A LEU 238.A N GLN 235.A O no hydrogen 3.250 N/A HIS 239.A N GLU 236.A O no hydrogen 2.981 N/A GLY 243.A N ASP 241.A O no hydrogen 3.147 N/A TYR 247.A N GLY 243.A O no hydrogen 3.084 N/A LYS 249.A N ALA 245.A O no hydrogen 2.918 N/A LYS 249.A NZ GLY 240.A O no hydrogen 2.731 N/A GLN 250.A N LEU 246.A O no hydrogen 2.942 N/A TYR 251.A N TYR 247.A O no hydrogen 2.982 N/A GLY 252.A N LYS 249.A O no hydrogen 3.284 N/A TYR 253.A N ALA 248.A O no hydrogen 2.715 N/A TYR 253.A OH VAL 112.A O no hydrogen 3.279 N/A TYR 253.A OH GLU 185.A OE1 no hydrogen 2.563 N/A