Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a1v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A SD VAL 3.A O no hydrogen 3.989 N/A MET 2.A SD THR 50.A O no hydrogen 3.790 N/A VAL 3.A N THR 50.A O no hydrogen 2.847 N/A LYS 4.A N ASP 82.A OD2 no hydrogen 2.769 N/A VAL 5.A N ASN 52.A O no hydrogen 2.916 N/A ALA 6.A N LEU 83.A O no hydrogen 3.142 N/A LEU 7.A N ILE 54.A O no hydrogen 2.758 N/A ALA 8.A N ILE 85.A O no hydrogen 2.965 N/A CYS 10.A SG THR 59.A O no hydrogen 3.681 N/A CYS 10.A SG GLN 95.A O no hydrogen 3.407 N/A LYS 15.A NZ ASP 55.A OD1 no hydrogen 2.930 N/A LYS 15.A NZ LEU 56.A O no hydrogen 2.663 N/A LEU 18.A N GLY 14.A O no hydrogen 2.969 N/A PHE 19.A N LYS 15.A O no hydrogen 2.980 N/A ASN 20.A N THR 16.A O no hydrogen 2.921 N/A ALA 21.A N SER 17.A O no hydrogen 2.866 N/A LEU 22.A N LEU 18.A O no hydrogen 3.010 N/A LEU 22.A N PHE 19.A O no hydrogen 3.210 N/A THR 23.A N PHE 19.A O no hydrogen 3.164 N/A THR 23.A OG1 PHE 19.A O no hydrogen 3.039 N/A GLY 24.A N ASN 20.A O no hydrogen 2.823 N/A LYS 26.A N THR 23.A O no hydrogen 3.036 N/A GLN 27.A N THR 25.A O no hydrogen 2.797 N/A GLN 27.A NE2 ASN 20.A OD1 no hydrogen 3.046 N/A GLN 27.A NE2 GLY 24.A O no hydrogen 2.946 N/A TYR 28.A N GLU 41.A O no hydrogen 2.772 N/A ALA 30.A N LYS 39.A O no hydrogen 2.895 N/A TRP 32.A N VAL 37.A O no hydrogen 3.228 N/A VAL 35.A N TRP 32.A O no hydrogen 2.980 N/A LYS 39.A N ALA 30.A O no hydrogen 2.974 N/A LYS 40.A NZ ASP 55.A OD2 no hydrogen 2.771 N/A GLU 41.A N TYR 28.A O no hydrogen 3.178 N/A GLY 42.A N LEU 53.A O no hydrogen 2.790 N/A VAL 43.A N LYS 26.A O no hydrogen 3.102 N/A PHE 44.A N ILE 51.A O no hydrogen 3.075 N/A TYR 46.A N TYR 49.A O no hydrogen 2.852 N/A TYR 49.A N TYR 46.A O no hydrogen 3.006 N/A THR 50.A N HIS 1.A O no hydrogen 2.848 N/A ILE 51.A N PHE 44.A O no hydrogen 2.859 N/A ASN 52.A N VAL 3.A O no hydrogen 2.802 N/A LEU 53.A N GLY 42.A O no hydrogen 2.843 N/A ILE 54.A N VAL 5.A O no hydrogen 2.913 N/A ASP 55.A N LYS 40.A O no hydrogen 2.895 N/A LEU 56.A N LEU 7.A O no hydrogen 2.939 N/A THR 59.A N GLY 9.A O no hydrogen 2.961 N/A SER 61.A OG GLU 102.A OE1 no hydrogen 2.821 N/A LEU 62.A N GLU 102.A OE1 no hydrogen 3.303 N/A GLY 63.A N GLU 69.A OE1 no hydrogen 2.767 N/A TYR 64.A OH ASP 74.A OD1 no hydrogen 3.096 N/A TYR 64.A OH ASP 74.A OD2 no hydrogen 2.902 N/A GLU 69.A N SER 66.A OG no hydrogen 3.225 N/A LYS 70.A N SER 66.A O no hydrogen 2.989 N/A ILE 71.A N ILE 67.A O no hydrogen 2.932 N/A ALA 72.A N ASP 68.A O no hydrogen 2.886 N/A ARG 73.A N GLU 69.A O no hydrogen 2.822 N/A ARG 73.A NH1 LEU 62.A O no hydrogen 3.087 N/A ARG 73.A NH1 ASP 208.A OD1 no hydrogen 2.696 N/A ARG 73.A NH1 ASP 208.A OD2 no hydrogen 3.226 N/A ARG 73.A NH2 ASP 208.A OD2 no hydrogen 2.843 N/A ARG 73.A NH2 GLU 210.A OE2 no hydrogen 2.804 N/A ASP 74.A N LYS 70.A O no hydrogen 2.855 N/A TYR 75.A N ILE 71.A O no hydrogen 3.051 N/A LEU 76.A N ALA 72.A O no hydrogen 3.100 N/A LEU 77.A N ARG 73.A O no hydrogen 2.804 N/A LYS 78.A N ASP 74.A O no hydrogen 2.627 N/A LYS 78.A NZ ASP 74.A OD1 no hydrogen 2.814 N/A LYS 78.A NZ GLU 210.A OE1 no hydrogen 2.605 N/A ASP 82.A N LYS 4.A O no hydrogen 2.645 N/A LEU 83.A N LYS 4.A O no hydrogen 3.393 N/A VAL 84.A N LYS 109.A O no hydrogen 2.675 N/A ILE 85.A N ALA 6.A O no hydrogen 2.841 N/A LEU 86.A N ILE 111.A O no hydrogen 2.863 N/A VAL 87.A N ALA 8.A O no hydrogen 2.884 N/A ALA 88.A N ALA 113.A O no hydrogen 2.920 N/A ASP 89.A N SER 96.A OG no hydrogen 3.346 N/A SER 90.A N THR 115.A O no hydrogen 3.301 N/A SER 90.A OG THR 115.A O no hydrogen 2.659 N/A VAL 91.A N ASP 89.A OD1 no hydrogen 3.177 N/A GLU 94.A N GLU 94.A OE2 no hydrogen 2.568 N/A LEU 97.A N PRO 93.A O no hydrogen 2.870 N/A TYR 98.A N GLU 94.A O no hydrogen 3.049 N/A LEU 99.A N GLN 95.A O no hydrogen 3.248 N/A LEU 100.A N SER 96.A O no hydrogen 2.881 N/A LEU 101.A N LEU 97.A O no hydrogen 3.088 N/A ILE 103.A N LEU 99.A O no hydrogen 3.336 N/A LEU 104.A N LEU 100.A O no hydrogen 2.911 N/A GLU 105.A N LEU 101.A O no hydrogen 3.007 N/A MET 106.A N ILE 103.A O no hydrogen 2.982 N/A GLU 107.A N LEU 104.A O no hydrogen 2.936 N/A LYS 109.A NZ ALA 162.A O no hydrogen 3.538 N/A ILE 111.A N VAL 84.A O no hydrogen 2.871 N/A LEU 112.A N PRO 139.A O no hydrogen 2.988 N/A ALA 113.A N LEU 86.A O no hydrogen 2.969 N/A MET 114.A N VAL 141.A O no hydrogen 2.807 N/A THR 115.A N ALA 88.A O no hydrogen 2.934 N/A THR 115.A OG1.A VAL 13.A O no hydrogen 3.024 N/A THR 115.A OG1.A ALA 88.A O no hydrogen 3.116 N/A THR 115.A OG1.B THR 143.A O no hydrogen 3.554 N/A THR 115.A OG1.B THR 143.A OG1 no hydrogen 2.898 N/A ILE 117.A N THR 143.A O no hydrogen 3.166 N/A GLU 119.A N ALA 116.A O no hydrogen 3.102 N/A ALA 120.A N ALA 116.A O no hydrogen 3.313 N/A LYS 121.A N ILE 117.A O no hydrogen 2.892 N/A LYS 121.A NZ GLU 149.A OE2 no hydrogen 3.564 N/A LYS 122.A N ASP 118.A O no hydrogen 3.065 N/A THR 123.A N GLU 119.A O no hydrogen 3.051 N/A THR 123.A OG1 GLU 119.A O no hydrogen 3.271 N/A THR 123.A OG1 ALA 120.A O no hydrogen 3.151 N/A GLY 124.A N LYS 121.A O no hydrogen 3.170 N/A MET 125.A N ALA 120.A O no hydrogen 3.014 N/A ASP 128.A N ALA 250.A O no hydrogen 2.870 N/A TYR 130.A N ASP 128.A OD1 no hydrogen 2.834 N/A GLU 131.A N ASP 128.A OD1 no hydrogen 2.964 N/A LEU 132.A N ASP 128.A O no hydrogen 3.039 N/A GLN 133.A N ARG 129.A O no hydrogen 3.177 N/A GLN 133.A NE2 VAL 140.A O no hydrogen 3.487 N/A LYS 134.A N TYR 130.A O no hydrogen 3.130 N/A HIS 135.A N GLU 131.A O no hydrogen 3.017 N/A HIS 135.A NE2 GLU 131.A OE2 no hydrogen 2.862 N/A LEU 136.A N LEU 132.A O no hydrogen 2.792 N/A GLY 137.A N GLN 133.A O no hydrogen 2.754 N/A VAL 141.A N LEU 112.A O no hydrogen 2.846 N/A THR 143.A N MET 114.A O no hydrogen 2.804 N/A THR 143.A OG1 THR 115.A OG1.B no hydrogen 2.898 N/A SER 144.A N GLU 149.A O no hydrogen 2.927 N/A SER 144.A OG ASP 118.A OD1 no hydrogen 2.800 N/A SER 144.A OG THR 147.A OG1 no hydrogen 3.135 N/A THR 147.A N SER 144.A OG no hydrogen 3.176 N/A GLY 148.A N SER 144.A O no hydrogen 2.877 N/A GLU 149.A N THR 147.A OG1 no hydrogen 3.419 N/A LEU 151.A N GLY 148.A O no hydrogen 3.482 N/A LEU 154.A N GLY 150.A O no hydrogen 2.809 N/A LYS 155.A N LEU 151.A O no hydrogen 3.077 N/A LYS 155.A NZ GLU 152.A OE2 no hydrogen 2.874 N/A GLU 156.A N GLU 152.A O no hydrogen 2.896 N/A LYS 157.A N GLU 153.A O no hydrogen 2.918 N/A LYS 157.A NZ GLU 160.A OE1 no hydrogen 3.304 N/A LYS 157.A NZ GLU 160.A OE2 no hydrogen 3.342 N/A ILE 158.A N LEU 154.A O no hydrogen 2.858 N/A VAL 159.A N LYS 155.A O no hydrogen 3.187 N/A GLU 160.A N GLU 156.A O no hydrogen 2.983 N/A TYR 161.A N LYS 157.A O no hydrogen 2.736 N/A ALA 162.A N ILE 158.A O no hydrogen 2.872 N/A GLN 163.A N VAL 159.A O no hydrogen 3.388 N/A LYS 164.A N TYR 161.A O no hydrogen 3.201 N/A TYR 173.A N GLU 178.A OE2 no hydrogen 2.922 N/A TYR 173.A OH GLU 105.A OE2 no hydrogen 2.562 N/A GLY 174.A N ASP 172.A OD1 no hydrogen 2.867 N/A LYS 176.A NZ GLU 180.A OE2 no hydrogen 2.722 N/A GLU 178.A N GLY 174.A O no hydrogen 2.930 N/A SER 179.A N GLU 175.A O no hydrogen 2.907 N/A SER 179.A OG GLU 175.A O no hydrogen 3.252 N/A SER 179.A OG LYS 176.A O no hydrogen 2.714 N/A GLU 180.A N LYS 176.A O no hydrogen 3.204 N/A ILE 181.A N VAL 177.A O no hydrogen 2.906 N/A LYS 182.A N GLU 178.A O no hydrogen 3.025 N/A LYS 183.A N SER 179.A O no hydrogen 3.002 N/A LYS 183.A NZ GLU 180.A OE1 no hydrogen 3.159 N/A LYS 183.A NZ GLU 180.A OE2 no hydrogen 2.838 N/A VAL 184.A N GLU 180.A O no hydrogen 2.979 N/A GLU 185.A N ILE 181.A O no hydrogen 2.808 N/A ASN 186.A N LYS 182.A O no hydrogen 2.852 N/A PHE 187.A N LYS 183.A O no hydrogen 3.234 N/A LEU 188.A N VAL 184.A O no hydrogen 3.054 N/A ARG 189.A N ASN 186.A O no hydrogen 3.047 N/A LYS 191.A N LEU 188.A O no hydrogen 2.828 N/A LYS 191.A NZ ASP 190.A OD1 no hydrogen 2.927 N/A ARG 198.A NH1 GLU 178.A OE2 no hydrogen 2.966 N/A ARG 198.A NH2 GLU 178.A OE1 no hydrogen 3.002 N/A PHE 200.A N ASN 196.A O no hydrogen 3.260 N/A ALA 201.A N PRO 197.A O no hydrogen 2.792 N/A LEU 202.A N ARG 198.A O no hydrogen 2.915 N/A LYS 203.A N TYR 199.A O no hydrogen 3.033 N/A LYS 203.A NZ LEU 62.A O no hydrogen 3.202 N/A TYR 204.A N PHE 200.A O no hydrogen 2.826 N/A TYR 204.A OH PRO 221.A O no hydrogen 2.570 N/A LEU 205.A N ALA 201.A O no hydrogen 2.895 N/A SER 206.A N LEU 202.A O no hydrogen 3.049 N/A SER 206.A OG LEU 202.A O no hydrogen 2.570 N/A GLY 207.A N TYR 204.A O no hydrogen 2.858 N/A ASP 208.A N LYS 203.A O no hydrogen 2.981 N/A GLU 210.A N ASP 208.A OD2 no hydrogen 3.085 N/A PHE 211.A N ASP 208.A OD2 no hydrogen 3.027 N/A TYR 212.A N ASP 208.A O no hydrogen 2.760 N/A SER 213.A OG.A PRO 209.A O no hydrogen 2.906 N/A SER 213.A OG.B PRO 209.A O no hydrogen 3.152 N/A SER 213.A OG.B GLU 210.A O no hydrogen 3.311 N/A GLU 214.A N GLU 210.A O no hydrogen 3.106 N/A GLY 215.A N PHE 211.A O no hydrogen 2.806 N/A VAL 216.A N TYR 212.A O no hydrogen 3.029 N/A LYS 217.A N SER 213.A O no hydrogen 3.087 N/A LEU 218.A N GLU 214.A O no hydrogen 3.020 N/A GLY 219.A N VAL 216.A O no hydrogen 3.069 N/A LEU 220.A N GLY 215.A O no hydrogen 2.986 N/A LEU 223.A N TYR 212.A OH no hydrogen 2.717 N/A SER 224.A N GLU 227.A OE1 no hydrogen 2.872 N/A SER 224.A OG GLU 227.A OE1 no hydrogen 3.220 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.794 N/A GLU 227.A N SER 224.A OG no hydrogen 3.005 N/A ARG 228.A N SER 224.A O no hydrogen 3.269 N/A ARG 228.A NE LEU 223.A O no hydrogen 3.083 N/A ARG 228.A NE SER 224.A O no hydrogen 3.091 N/A ARG 228.A NH2 LEU 223.A O no hydrogen 2.999 N/A ILE 229.A N GLU 225.A O no hydrogen 3.098 N/A GLY 230.A N GLU 226.A O no hydrogen 2.768 N/A TYR 231.A N GLU 227.A O no hydrogen 2.796 N/A ARG 232.A N ARG 228.A O no hydrogen 3.077 N/A LEU 233.A N ILE 229.A O no hydrogen 2.936 N/A LEU 234.A N GLY 230.A O no hydrogen 3.145 N/A ILE 235.A N TYR 231.A O no hydrogen 3.065 N/A ALA 236.A N ARG 232.A O no hydrogen 2.941 N/A LYS 237.A N LEU 233.A O no hydrogen 2.771 N/A ARG 238.A N LEU 234.A O no hydrogen 3.000 N/A ARG 238.A NE GLU 241.A OE2 no hydrogen 2.685 N/A ARG 238.A NH1 ASP 172.A O no hydrogen 2.800 N/A ARG 238.A NH2 GLU 241.A OE2 no hydrogen 3.251 N/A LYS 239.A N ILE 235.A O no hydrogen 3.136 N/A LYS 239.A NZ GLU 105.A OE1 no hydrogen 2.815 N/A LYS 239.A NZ GLU 105.A OE2 no hydrogen 3.558 N/A LYS 239.A NZ TYR 173.A OH no hydrogen 2.693 N/A ARG 240.A N ALA 236.A O no hydrogen 2.966 N/A GLU 241.A N LYS 237.A O no hydrogen 3.069 N/A TYR 242.A N ARG 238.A O no hydrogen 3.070 N/A VAL 243.A N LYS 239.A O no hydrogen 2.988 N/A GLU 244.A N ARG 240.A O no hydrogen 2.896 N/A ASN 245.A N GLU 241.A O no hydrogen 3.138 N/A VAL 246.A N TYR 242.A O no hydrogen 3.050 N/A VAL 247.A N VAL 243.A O no hydrogen 3.024 N/A LYS 248.A N GLU 244.A O no hydrogen 3.002 N/A GLU 249.A N ASN 245.A O no hydrogen 3.126 N/A ALA 250.A N VAL 246.A O no hydrogen 2.952 N/A PHE 251.A N VAL 247.A O no hydrogen 2.968 N/A ALA 252.A N LYS 126.A O no hydrogen 2.926 N/A