Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ LYS 33.A O no hydrogen 3.511 N/A LEU 4.A N ASP 216.A O no hydrogen 3.095 N/A VAL 5.A N GLU 36.A O no hydrogen 3.015 N/A ILE 6.A N VAL 218.A O no hydrogen 2.822 N/A ALA 7.A N VAL 38.A O no hydrogen 3.050 N/A GLY 8.A N MET 220.A O no hydrogen 3.375 N/A CYS 10.A N GLN 236.A OE1 no hydrogen 2.953 N/A CYS 10.A SG GLU 221.A OE2 no hydrogen 3.502 N/A CYS 10.A SG SER 231.A OG no hydrogen 3.002 N/A CYS 10.A SG ASP 232.A OD1 no hydrogen 3.522 N/A ILE 12.A N SER 42.A O no hydrogen 3.101 N/A GLU 15.A N TYR 61.A OH no hydrogen 2.975 N/A LEU 17.A N SER 14.A OG no hydrogen 3.132 N/A LEU 18.A N SER 14.A O no hydrogen 3.390 N/A LEU 19.A N GLU 15.A O no hydrogen 3.129 N/A LYS 20.A N GLU 16.A O no hydrogen 3.018 N/A VAL 21.A N LEU 17.A O no hydrogen 3.000 N/A GLY 22.A N LEU 18.A O no hydrogen 2.712 N/A GLU 23.A N LEU 19.A O no hydrogen 2.885 N/A ILE 25.A N VAL 21.A O no hydrogen 2.904 N/A LYS 26.A N GLY 22.A O no hydrogen 2.804 N/A LYS 26.A NZ GLU 30.A OE2 no hydrogen 3.507 N/A LYS 26.A NZ PHE 73.A O no hydrogen 2.990 N/A ARG 27.A N GLU 23.A O no hydrogen 3.078 N/A ARG 27.A NE GLU 24.A OE1 no hydrogen 2.742 N/A ARG 27.A NH2 GLU 24.A OE1 no hydrogen 3.416 N/A ARG 27.A NH2 GLU 24.A OE2 no hydrogen 2.629 N/A ARG 27.A NH2 GLU 243.A OE1 no hydrogen 3.245 N/A LEU 28.A N GLU 24.A O no hydrogen 3.001 N/A SER 29.A N ILE 25.A O no hydrogen 2.970 N/A SER 29.A OG ILE 25.A O no hydrogen 3.568 N/A SER 29.A OG LYS 26.A O no hydrogen 2.563 N/A GLU 30.A N LYS 26.A O no hydrogen 3.170 N/A GLU 30.A N ARG 27.A O no hydrogen 3.149 N/A LYS 31.A N ARG 27.A O no hydrogen 3.249 N/A LYS 31.A NZ GLU 243.A OE2 no hydrogen 2.661 N/A PHE 32.A N LEU 28.A O no hydrogen 2.685 N/A LYS 33.A N LYS 31.A O no hydrogen 3.039 N/A LYS 33.A NZ GLU 30.A O no hydrogen 2.523 N/A LYS 33.A NZ GLU 30.A OE1 no hydrogen 3.417 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.718 N/A VAL 35.A N PHE 32.A O no hydrogen 3.002 N/A GLU 36.A N PHE 3.A O no hydrogen 2.790 N/A VAL 38.A N VAL 5.A O no hydrogen 3.072 N/A PHE 39.A N LYS 76.A O no hydrogen 2.839 N/A LYS 40.A N ALA 7.A O no hydrogen 2.921 N/A LYS 40.A NZ CYS 10.A O no hydrogen 2.994 N/A LYS 40.A NZ SER 42.A OG no hydrogen 2.989 N/A LYS 40.A NZ GLU 221.A OE2 no hydrogen 2.990 N/A SER 41.A OG PRO 9.A O no hydrogen 3.004 N/A SER 42.A N CYS 10.A O no hydrogen 3.047 N/A SER 42.A OG CYS 10.A O no hydrogen 3.420 N/A SER 42.A OG ASP 80.A OD1 no hydrogen 2.817 N/A SER 42.A OG ASP 80.A OD2 no hydrogen 3.546 N/A LYS 45.A N ARG 55.A O no hydrogen 2.799 N/A LYS 45.A NZ SER 42.A OG no hydrogen 3.193 N/A ARG 48.A NH1 PHE 54.A O no hydrogen 2.952 N/A ARG 48.A NH1 LEU 230.A O no hydrogen 3.104 N/A HIS 52.A N SER 50.A OG no hydrogen 2.998 N/A SER 53.A N SER 50.A O no hydrogen 3.173 N/A ARG 55.A NE ASP 44.A OD1 no hydrogen 3.174 N/A ARG 55.A NH2 ASP 44.A OD1 no hydrogen 3.432 N/A ARG 55.A NH2 ASP 44.A OD2 no hydrogen 2.929 N/A GLY 62.A N GLY 58.A O no hydrogen 3.062 N/A VAL 63.A N LEU 59.A O no hydrogen 2.886 N/A LYS 64.A N GLU 60.A O no hydrogen 3.085 N/A ALA 65.A N TYR 61.A O no hydrogen 2.784 N/A LEU 66.A N GLY 62.A O no hydrogen 2.852 N/A ARG 67.A N VAL 63.A O no hydrogen 2.800 N/A LYS 68.A N LYS 64.A O no hydrogen 3.075 N/A VAL 69.A N ALA 65.A O no hydrogen 3.185 N/A LYS 70.A N LEU 66.A O no hydrogen 3.041 N/A LYS 70.A NZ VAL 93.A O no hydrogen 2.611 N/A LYS 70.A NZ ASP 95.A OD2 no hydrogen 3.094 N/A GLU 71.A N ARG 67.A O no hydrogen 2.884 N/A GLU 72.A N LYS 68.A O no hydrogen 2.760 N/A PHE 73.A N VAL 69.A O no hydrogen 2.883 N/A GLY 74.A N LYS 70.A O no hydrogen 2.787 N/A LYS 76.A NZ GLU 36.A OE2 no hydrogen 3.273 N/A ILE 77.A N ASP 95.A OD2 no hydrogen 2.823 N/A THR 78.A N PHE 39.A O no hydrogen 2.960 N/A THR 78.A OG1 ILE 96.A O no hydrogen 2.798 N/A THR 79.A OG1 SER 41.A O no hydrogen 2.726 N/A ASP 80.A N ASP 80.A OD1 no hydrogen 2.544 N/A ILE 81.A N GLN 98.A O no hydrogen 3.175 N/A HIS 82.A N GLN 86.A OE1 no hydrogen 2.665 N/A GLU 83.A N GLN 86.A OE1 no hydrogen 3.415 N/A TRP 85.A NE1 GLU 83.A OE2 no hydrogen 2.992 N/A GLN 86.A N GLU 83.A O no hydrogen 3.112 N/A ALA 87.A N SER 84.A O no hydrogen 3.082 N/A VAL 90.A N GLN 86.A O no hydrogen 3.037 N/A ALA 91.A N ALA 87.A O no hydrogen 2.909 N/A GLU 92.A N PRO 89.A O no hydrogen 3.174 N/A VAL 93.A N VAL 90.A O no hydrogen 3.007 N/A ALA 94.A N VAL 90.A O no hydrogen 2.927 N/A ASP 95.A N ILE 77.A O no hydrogen 2.696 N/A ILE 96.A N ILE 77.A O no hydrogen 3.141 N/A ILE 97.A N ALA 119.A O no hydrogen 2.770 N/A GLN 98.A N THR 79.A O no hydrogen 2.978 N/A ILE 99.A N ASN 121.A O no hydrogen 2.765 N/A LEU 103.A N PRO 100.A O no hydrogen 2.967 N/A CYS 104.A N ALA 101.A O no hydrogen 3.352 N/A CYS 104.A SG ALA 101.A O no hydrogen 3.213 N/A GLN 106.A N LEU 103.A O no hydrogen 3.051 N/A LEU 110.A N GLN 106.A O no hydrogen 3.186 N/A LEU 111.A N THR 107.A O no hydrogen 2.914 N/A ALA 112.A N ASP 108.A O no hydrogen 2.807 N/A ALA 113.A N LEU 109.A O no hydrogen 3.058 N/A ALA 114.A N LEU 110.A O no hydrogen 3.013 N/A LYS 115.A N LEU 111.A O no hydrogen 3.184 N/A THR 116.A N ALA 113.A O no hydrogen 3.170 N/A THR 116.A OG1 ALA 113.A O no hydrogen 2.679 N/A GLY 117.A N ALA 114.A O no hydrogen 3.298 N/A ARG 118.A N THR 116.A OG1 no hydrogen 3.050 N/A ARG 118.A NE ALA 91.A O no hydrogen 2.705 N/A ARG 118.A NH2 ALA 91.A O no hydrogen 2.792 N/A ALA 119.A N ASP 95.A O no hydrogen 3.232 N/A VAL 120.A N GLU 147.A O no hydrogen 2.953 N/A ASN 121.A N ILE 97.A O no hydrogen 2.808 N/A VAL 122.A N TYR 149.A O no hydrogen 2.864 N/A LYS 123.A N ILE 99.A O no hydrogen 2.976 N/A LYS 123.A NZ ASP 181.A OD2 no hydrogen 2.896 N/A LYS 123.A NZ HIS 184.A ND1 no hydrogen 3.485 N/A LYS 124.A N THR 151.A O no hydrogen 2.891 N/A LYS 124.A NZ GLU 152.A OE1 no hydrogen 2.671 N/A LYS 124.A NZ GLU 152.A OE2 no hydrogen 3.392 N/A GLN 126.A N GLN 126.A OE1 no hydrogen 2.562 N/A LEU 128.A N GLY 125.A O no hydrogen 2.904 N/A ASP 132.A N ALA 129.A O no hydrogen 3.022 N/A THR 133.A N PRO 130.A O no hydrogen 3.281 N/A THR 133.A OG1 PRO 130.A O no hydrogen 2.644 N/A LYS 134.A N TRP 131.A O no hydrogen 3.456 N/A VAL 137.A N THR 133.A O no hydrogen 3.043 N/A GLU 138.A N LYS 134.A O no hydrogen 3.015 N/A LYS 139.A N ASN 135.A O no hydrogen 2.980 N/A LYS 139.A NZ THR 107.A OG1 no hydrogen 2.857 N/A LEU 140.A N VAL 136.A O no hydrogen 3.198 N/A LYS 141.A N VAL 137.A O no hydrogen 2.889 N/A PHE 142.A N GLU 138.A O no hydrogen 2.932 N/A GLY 143.A N LYS 139.A O no hydrogen 2.902 N/A GLY 144.A N LYS 141.A O no hydrogen 2.973 N/A ALA 145.A N LEU 140.A O no hydrogen 2.941 N/A TYR 149.A N VAL 120.A O no hydrogen 2.841 N/A TYR 149.A OH GLU 147.A OE1 no hydrogen 2.584 N/A LEU 150.A N LYS 177.A O no hydrogen 2.927 N/A THR 151.A N VAL 122.A O no hydrogen 2.833 N/A THR 151.A OG1 ASN 121.A OD1 no hydrogen 2.679 N/A GLU 152.A N ILE 179.A O no hydrogen 2.793 N/A ARG 153.A NH1 ARG 153.A O no hydrogen 2.755 N/A ARG 153.A NH1 GLN 187.A OE1 no hydrogen 3.301 N/A ARG 153.A NH2 GLN 187.A OE1 no hydrogen 2.800 N/A GLY 154.A N GLU 152.A OE2 no hydrogen 2.743 N/A THR 155.A N VAL 163.A O no hydrogen 2.841 N/A THR 156.A N GLN 126.A O no hydrogen 3.006 N/A THR 156.A OG1 GLN 126.A O no hydrogen 3.421 N/A PHE 157.A N ASN 161.A O no hydrogen 2.985 N/A VAL 163.A N THR 155.A O no hydrogen 2.950 N/A ARG 167.A N ASP 165.A OD1 no hydrogen 3.084 N/A ARG 167.A NE ASP 165.A OD1 no hydrogen 2.926 N/A ARG 167.A NE ASP 165.A OD2 no hydrogen 3.283 N/A ARG 167.A NH2 ASP 165.A OD2 no hydrogen 2.865 N/A SER 168.A N ASP 165.A O no hydrogen 2.929 N/A SER 168.A OG GLU 152.A OE1 no hydrogen 2.617 N/A SER 168.A OG ASP 165.A O no hydrogen 3.403 N/A LEU 169.A N PHE 166.A O no hydrogen 3.299 N/A ILE 171.A N ARG 167.A O no hydrogen 3.351 N/A MET 172.A N SER 168.A O no hydrogen 2.845 N/A LYS 173.A N LEU 169.A O no hydrogen 3.092 N/A LYS 173.A NZ ASP 216.A OD1 no hydrogen 2.927 N/A LYS 173.A NZ ASP 216.A OD2 no hydrogen 2.993 N/A GLN 174.A N ILE 171.A O no hydrogen 3.130 N/A TRP 175.A N MET 172.A O no hydrogen 2.958 N/A ALA 176.A N MET 172.A O no hydrogen 3.190 N/A LYS 177.A N ILE 148.A O no hydrogen 3.415 N/A VAL 178.A N ASP 216.A OD2 no hydrogen 2.690 N/A ILE 179.A N LEU 150.A O no hydrogen 2.904 N/A TYR 180.A N GLY 217.A O no hydrogen 2.963 N/A ASP 181.A N GLU 152.A O no hydrogen 2.910 N/A ALA 182.A N PHE 219.A O no hydrogen 2.851 N/A THR 183.A OG1 ASP 181.A OD1 no hydrogen 3.412 N/A HIS 184.A N ASP 181.A OD1 no hydrogen 2.748 N/A HIS 184.A ND1 ASP 181.A OD2 no hydrogen 2.644 N/A HIS 184.A NE2 ASP 232.A OD1 no hydrogen 2.905 N/A SER 185.A OG ASP 181.A O no hydrogen 2.855 N/A GLN 187.A N HIS 184.A O no hydrogen 3.258 N/A LEU 188.A N GLY 197.A O no hydrogen 2.771 N/A GLY 190.A N SER 196.A OG no hydrogen 2.836 N/A GLY 191.A N LEU 188.A O no hydrogen 2.800 N/A GLY 193.A N GLY 190.A O no hydrogen 3.049 N/A GLY 197.A N LEU 188.A O no hydrogen 2.644 N/A MET 199.A N VAL 186.A O no hydrogen 3.249 N/A ARG 200.A NE GLN 236.A O no hydrogen 3.069 N/A ARG 200.A NH2 ALA 233.A O no hydrogen 2.885 N/A ARG 200.A NH2 GLN 236.A O no hydrogen 2.810 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.781 N/A PHE 202.A N MET 199.A O no hydrogen 3.142 N/A ILE 203.A N ARG 200.A O no hydrogen 3.218 N/A LEU 206.A N PHE 202.A O no hydrogen 3.157 N/A ILE 207.A N ILE 203.A O no hydrogen 3.116 N/A ARG 208.A N PHE 204.A O no hydrogen 3.053 N/A ALA 209.A N PRO 205.A O no hydrogen 3.080 N/A ALA 210.A N LEU 206.A O no hydrogen 2.961 N/A VAL 211.A N ILE 207.A O no hydrogen 3.166 N/A ALA 212.A N ARG 208.A O no hydrogen 3.046 N/A VAL 213.A N ALA 209.A O no hydrogen 2.911 N/A GLY 214.A N ALA 210.A O no hydrogen 2.829 N/A CYS 215.A SG ALA 210.A O no hydrogen 3.949 N/A CYS 215.A SG GLY 217.A O no hydrogen 3.429 N/A ASP 216.A N VAL 178.A O no hydrogen 2.728 N/A VAL 218.A N LEU 4.A O no hydrogen 2.858 N/A PHE 219.A N TYR 180.A O no hydrogen 2.713 N/A MET 220.A N ILE 6.A O no hydrogen 2.787 N/A GLU 221.A N THR 183.A OG1 no hydrogen 3.176 N/A THR 222.A N GLY 8.A O no hydrogen 2.890 N/A THR 222.A OG1 LEU 237.A O no hydrogen 2.891 N/A HIS 223.A N LEU 237.A O no hydrogen 2.984 N/A HIS 223.A NE2 GLU 13.A OE1 no hydrogen 2.952 N/A GLU 225.A N HIS 223.A ND1 no hydrogen 2.850 N/A LYS 228.A N GLU 225.A O no hydrogen 2.857 N/A LYS 228.A NZ GLU 225.A OE1 no hydrogen 2.901 N/A ALA 229.A N PRO 226.A O no hydrogen 2.927 N/A LEU 230.A N GLU 13.A OE2 no hydrogen 2.609 N/A THR 235.A N ASP 232.A O no hydrogen 3.083 N/A THR 235.A OG1 ASP 232.A O no hydrogen 3.525 N/A GLN 236.A N ASP 232.A O no hydrogen 2.811 N/A GLN 236.A NE2 SER 231.A O no hydrogen 2.724 N/A LEU 237.A N GLU 221.A O no hydrogen 2.879 N/A LEU 239.A N HIS 223.A O no hydrogen 3.095 N/A GLN 241.A N PRO 238.A O no hydrogen 2.855 N/A LEU 242.A N LEU 239.A O no hydrogen 3.224 N/A ILE 245.A N GLN 241.A O no hydrogen 3.173 N/A ILE 246.A N LEU 242.A O no hydrogen 2.969 N/A GLU 247.A N GLU 243.A O no hydrogen 2.973 N/A ALA 248.A N GLY 244.A O no hydrogen 3.057 N/A ILE 249.A N ILE 245.A O no hydrogen 3.035 N/A LEU 250.A N ILE 246.A O no hydrogen 3.042 N/A GLU 251.A N GLU 247.A O no hydrogen 3.026 N/A ILE 252.A N ALA 248.A O no hydrogen 2.969 N/A ARG 253.A N ILE 249.A O no hydrogen 2.782 N/A ARG 253.A NH2 GLU 1.A O no hydrogen 2.649 N/A GLU 254.A N LEU 250.A O no hydrogen 3.066 N/A VAL 255.A N GLU 251.A O no hydrogen 3.288 N/A ALA 256.A N ILE 252.A O no hydrogen 2.953 N/A SER 257.A N ARG 253.A O no hydrogen 2.649 N/A SER 257.A OG GLU 254.A O no hydrogen 2.644 N/A TYR 259.A N ALA 256.A O no hydrogen 2.830 N/A TYR 260.A N SER 257.A O no hydrogen 3.070 N/A TYR 260.A OH VAL 211.A O no hydrogen 2.455 N/A GLU 261.A N GLU 261.A OE1 no hydrogen 2.599 N/A