Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3acl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N SER 223.A O no hydrogen 2.787 N/A LYS 3.A NZ GLY 219.A O no hydrogen 2.815 N/A LYS 3.A NZ GLY 221.A O no hydrogen 2.957 N/A THR 6.A N VAL 217.A O no hydrogen 2.976 N/A THR 6.A OG1 VAL 217.A O no hydrogen 3.501 N/A VAL 9.A N THR 215.A O no hydrogen 2.974 N/A SER 11.A N HIS 213.A O no hydrogen 2.763 N/A SER 11.A OG ARG 24.A O no hydrogen 2.902 N/A GLN 14.A N VAL 22.A O no hydrogen 2.638 N/A GLN 14.A NE2 GLU 16.A OE2 no hydrogen 2.837 N/A GLU 16.A N ALA 20.A O no hydrogen 2.793 N/A VAL 18.A N GLY 50.A O no hydrogen 2.928 N/A ARG 21.A N LYS 44.A O no hydrogen 3.384 N/A ARG 21.A NE GLU 13.A OE1 no hydrogen 3.509 N/A ARG 21.A NH1 SER 15.A OG no hydrogen 2.990 N/A ARG 21.A NH2 GLU 13.A OE1 no hydrogen 3.428 N/A VAL 22.A N GLN 14.A O no hydrogen 2.670 N/A ARG 23.A N GLU 42.A O no hydrogen 2.844 N/A ARG 23.A NH1 SER 11.A O no hydrogen 2.786 N/A ARG 24.A NE ASP 41.A OD1 no hydrogen 2.880 N/A ARG 24.A NH2 ASP 41.A OD2 no hydrogen 3.246 N/A SER 25.A N PHE 40.A O no hydrogen 2.750 N/A SER 25.A OG THR 215.A OG1 no hydrogen 2.941 N/A GLY 27.A N LEU 31.A O no hydrogen 3.007 N/A ARG 28.A N SER 25.A O no hydrogen 3.098 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.610 N/A LEU 31.A N ARG 28.A O no hydrogen 2.747 N/A PHE 37.A N LEU 34.A O no hydrogen 2.835 N/A LEU 38.A N TRP 115.A O no hydrogen 2.916 N/A PHE 40.A N ILE 26.A O no hydrogen 3.037 N/A ASP 41.A N GLN 113.A O no hydrogen 2.916 N/A GLU 42.A N ARG 23.A O no hydrogen 2.847 N/A PHE 43.A N GLY 111.A O no hydrogen 2.936 N/A LYS 44.A N ARG 21.A O no hydrogen 3.170 N/A GLY 45.A N ALA 109.A O no hydrogen 2.968 N/A GLY 50.A N VAL 18.A O no hydrogen 2.759 N/A PHE 51.A N GLU 101.A O no hydrogen 2.829 N/A ASP 53.A N ASP 53.A OD1 no hydrogen 2.521 N/A HIS 54.A N HIS 99.A O no hydrogen 2.864 N/A HIS 54.A ND1 PRO 52.A O no hydrogen 2.984 N/A HIS 56.A N ILE 97.A O no hydrogen 2.861 N/A ARG 57.A N PRO 253.A O no hydrogen 3.290 N/A ARG 57.A NE ARG 95.A O no hydrogen 3.044 N/A ARG 57.A NH1 ASP 268.A OD2 no hydrogen 2.784 N/A ARG 57.A NH2 ARG 95.A O no hydrogen 3.097 N/A ARG 57.A NH2 ASP 268.A OD2 no hydrogen 3.200 N/A GLY 58.A N GLY 94.A O no hydrogen 2.868 N/A GLU 60.A N VAL 116.A O no hydrogen 2.774 N/A THR 61.A N MET 91.A O no hydrogen 2.860 N/A VAL 62.A N LEU 114.A O no hydrogen 2.759 N/A SER 63.A N GLN 89.A O no hydrogen 2.856 N/A SER 63.A OG GLN 113.A OE1 no hydrogen 3.076 N/A TYR 64.A N LEU 112.A O no hydrogen 2.840 N/A LEU 65.A N ASP 87.A O no hydrogen 3.170 N/A LEU 66.A N HIS 110.A O no hydrogen 2.743 N/A GLY 69.A N PRO 108.A O no hydrogen 2.756 N/A SER 70.A N SER 105.A OG no hydrogen 2.938 N/A SER 70.A OG MET 83.A O no hydrogen 3.331 N/A SER 70.A OG ASN 84.A OD1 no hydrogen 2.618 N/A MET 71.A N MET 83.A O no hydrogen 3.067 N/A ALA 72.A N MET 102.A O no hydrogen 2.746 N/A HIS 73.A N GLY 81.A O no hydrogen 3.115 N/A HIS 73.A NE2 GLU 131.A OE2 no hydrogen 3.057 N/A GLU 74.A N ALA 100.A O no hydrogen 3.043 N/A ASP 75.A N HIS 79.A O no hydrogen 3.055 N/A PHE 76.A N LEU 98.A O no hydrogen 2.827 N/A CYS 77.A N ASP 75.A OD2 no hydrogen 2.686 N/A GLY 78.A N ASP 75.A O no hydrogen 3.323 N/A HIS 79.A N ASP 75.A OD2 no hydrogen 2.952 N/A HIS 79.A NE2 GLU 131.A OE2 no hydrogen 2.705 N/A GLY 81.A N HIS 73.A O no hydrogen 3.164 N/A MET 83.A N MET 71.A O no hydrogen 2.758 N/A ASN 84.A N ASP 87.A OD2 no hydrogen 2.689 N/A GLY 86.A N LEU 65.A O no hydrogen 2.707 N/A ASP 87.A N ASN 84.A O no hydrogen 2.924 N/A LEU 88.A N LEU 132.A O no hydrogen 2.882 N/A GLN 89.A N SER 63.A O no hydrogen 2.951 N/A GLN 89.A NE2 GLU 131.A OE2 no hydrogen 2.783 N/A TRP 90.A N GLN 130.A O no hydrogen 2.660 N/A TRP 90.A NE1 GLU 60.A OE1 no hydrogen 2.930 N/A MET 91.A N THR 61.A O no hydrogen 2.797 N/A THR 92.A N GLN 128.A O no hydrogen 2.776 N/A THR 92.A OG1 GLU 60.A OE2 no hydrogen 2.618 N/A ALA 93.A N PHE 59.A O no hydrogen 3.111 N/A ARG 95.A N VAL 125.A O no hydrogen 2.924 N/A GLY 96.A N ALA 93.A O no hydrogen 2.795 N/A ILE 97.A N HIS 56.A O no hydrogen 3.053 N/A HIS 99.A N HIS 54.A O no hydrogen 2.976 N/A HIS 99.A NE2 HIS 54.A NE2 no hydrogen 3.093 N/A HIS 99.A NE2 HIS 56.A NE2 no hydrogen 3.255 N/A ALA 100.A N GLU 74.A O no hydrogen 2.823 N/A GLU 101.A N PHE 51.A O no hydrogen 2.968 N/A MET 102.A N ALA 72.A O no hydrogen 2.886 N/A CYS 104.A N SER 70.A O no hydrogen 3.095 N/A ALA 109.A N GLY 45.A O no hydrogen 2.679 N/A HIS 110.A NE2 GLU 42.A OE2 no hydrogen 2.706 N/A GLY 111.A N PHE 43.A O no hydrogen 3.105 N/A LEU 112.A N TYR 64.A O no hydrogen 2.824 N/A GLN 113.A N ASP 41.A O no hydrogen 2.973 N/A LEU 114.A N VAL 62.A O no hydrogen 2.850 N/A TRP 115.A N LEU 39.A O no hydrogen 2.802 N/A VAL 116.A N GLU 60.A O no hydrogen 2.881 N/A ASN 117.A N PRO 36.A O no hydrogen 2.801 N/A LEU 118.A N ASN 117.A OD1 no hydrogen 2.860 N/A SER 120.A N GLU 246.A OE1 no hydrogen 2.743 N/A SER 120.A OG ASN 257.A OD1 no hydrogen 3.347 N/A GLU 122.A N ARG 119.A O no hydrogen 2.875 N/A LYS 123.A N SER 120.A O no hydrogen 3.333 N/A LYS 123.A NZ GLY 58.A O no hydrogen 2.832 N/A LYS 123.A NZ ASN 117.A OD1 no hydrogen 2.913 N/A LYS 123.A NZ LEU 118.A O no hydrogen 3.375 N/A LYS 123.A NZ VAL 255.A O no hydrogen 2.842 N/A VAL 125.A N GLU 122.A O no hydrogen 3.291 N/A GLN 128.A N THR 92.A O no hydrogen 3.013 N/A TYR 129.A OH ASP 75.A OD1 no hydrogen 2.608 N/A GLN 130.A N TRP 90.A O no hydrogen 3.051 N/A GLN 130.A NE2 TYR 162.A O no hydrogen 2.895 N/A LEU 132.A N LEU 88.A O no hydrogen 2.917 N/A LYS 133.A N GLU 136.A OE2 no hydrogen 2.643 N/A SER 134.A N ASP 87.A OD1 no hydrogen 2.820 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.598 N/A GLU 136.A N LYS 133.A O no hydrogen 2.610 N/A ILE 137.A N SER 134.A O no hydrogen 3.119 N/A LYS 139.A NZ SER 134.A OG no hydrogen 3.229 N/A LYS 139.A NZ ILE 137.A O no hydrogen 3.017 N/A LYS 142.A N VAL 145.A O no hydrogen 2.802 N/A LYS 142.A NZ ASP 143.A OD2 no hydrogen 3.429 N/A VAL 145.A N LYS 142.A O no hydrogen 2.937 N/A THR 146.A N LYS 173.A O no hydrogen 3.165 N/A VAL 147.A N PRO 140.A O no hydrogen 2.971 N/A ALA 148.A N ASP 171.A O no hydrogen 2.989 N/A VAL 149.A N PRO 138.A O no hydrogen 2.911 N/A ILE 150.A N TYR 169.A O no hydrogen 2.999 N/A SER 151.A N TYR 169.A O no hydrogen 3.337 N/A SER 151.A OG THR 167.A O no hydrogen 2.684 N/A ALA 154.A N ILE 157.A O no hydrogen 3.173 N/A ILE 157.A N ALA 154.A O no hydrogen 3.160 N/A SER 159.A N GLY 152.A O no hydrogen 2.900 N/A SER 159.A OG ILE 150.A O no hydrogen 3.137 N/A VAL 161.A N SER 159.A OG no hydrogen 3.062 N/A TYR 162.A N GLN 130.A OE1 no hydrogen 2.708 N/A ARG 164.A NH1 GLN 128.A OE1 no hydrogen 2.546 N/A ARG 164.A NH2 GLN 128.A OE1 no hydrogen 2.785 N/A THR 165.A OG1 ASN 117.A O no hydrogen 2.709 N/A THR 167.A OG1 THR 165.A O no hydrogen 2.632 N/A LEU 168.A N ALA 240.A O no hydrogen 2.752 N/A TYR 169.A N SER 151.A O no hydrogen 2.972 N/A LEU 170.A N LEU 238.A O no hydrogen 2.775 N/A ASP 171.A N ALA 148.A O no hydrogen 3.075 N/A PHE 172.A N PHE 236.A O no hydrogen 2.781 N/A LYS 173.A N THR 146.A O no hydrogen 3.101 N/A LYS 173.A NZ ASP 171.A OD2 no hydrogen 3.517 N/A LEU 174.A N SER 234.A O no hydrogen 2.766 N/A ASP 175.A N GLY 144.A O no hydrogen 2.848 N/A GLY 177.A N ASN 228.A O no hydrogen 2.929 N/A ALA 178.A N ASP 175.A O no hydrogen 2.920 N/A LYS 179.A NZ ASP 204.A OD2 no hydrogen 3.424 N/A HIS 180.A N VAL 226.A O no hydrogen 3.063 N/A HIS 180.A NE2 GLN 182.A OE1 no hydrogen 2.925 N/A GLN 182.A N VAL 224.A O no hydrogen 2.834 N/A GLN 182.A NE2 GLU 153.A O no hydrogen 3.385 N/A GLN 182.A NE2 PRO 183.A O no hydrogen 3.356 N/A ILE 184.A N ASP 222.A O no hydrogen 2.952 N/A TRP 188.A N PRO 185.A O no hydrogen 3.245 N/A THR 189.A N GLY 241.A O no hydrogen 2.789 N/A THR 189.A OG1 ASP 35.A O no hydrogen 2.493 N/A PHE 191.A N ILE 239.A O no hydrogen 3.002 N/A ILE 192.A N ALA 216.A O no hydrogen 2.970 N/A TYR 193.A N VAL 237.A O no hydrogen 3.027 N/A TYR 193.A OH GLU 42.A OE1 no hydrogen 2.651 N/A THR 194.A N HIS 214.A O no hydrogen 3.026 N/A THR 194.A OG1 GLU 211.A O no hydrogen 2.604 N/A THR 194.A OG1 HIS 214.A O no hydrogen 3.409 N/A ILE 195.A N HIS 235.A O no hydrogen 2.979 N/A SER 196.A N HIS 235.A O no hydrogen 3.146 N/A VAL 199.A N ILE 210.A O no hydrogen 3.310 N/A TYR 200.A N GLU 227.A O no hydrogen 2.753 N/A ILE 201.A N GLN 208.A O no hydrogen 2.744 N/A GLY 202.A N GLN 225.A O no hydrogen 3.028 N/A ALA 206.A N PRO 203.A O no hydrogen 2.898 N/A GLN 207.A NE2 GLN 225.A OE1 no hydrogen 3.691 N/A GLN 207.A NE2 GLU 227.A OE1 no hydrogen 3.138 N/A GLN 208.A N ILE 201.A O no hydrogen 2.790 N/A ILE 210.A N VAL 199.A O no hydrogen 2.774 N/A HIS 213.A N THR 194.A O no hydrogen 2.870 N/A HIS 214.A N THR 194.A OG1 no hydrogen 2.994 N/A HIS 214.A ND1 GLU 211.A O no hydrogen 3.078 N/A HIS 214.A ND1 PRO 212.A O no hydrogen 2.888 N/A THR 215.A N VAL 9.A O no hydrogen 2.839 N/A THR 215.A OG1 SER 25.A OG no hydrogen 2.941 N/A ALA 216.A N ILE 192.A O no hydrogen 2.739 N/A VAL 217.A N LEU 7.A O no hydrogen 2.802 N/A LEU 218.A N SER 190.A O no hydrogen 3.104 N/A GLY 219.A N LYS 4.A O no hydrogen 2.876 N/A VAL 224.A N GLN 182.A O no hydrogen 2.975 N/A VAL 226.A N HIS 180.A O no hydrogen 2.914 N/A GLU 227.A N TYR 200.A O no hydrogen 2.823 N/A ASN 228.A N ALA 178.A O no hydrogen 3.109 N/A ASN 228.A ND2 LEU 174.A O no hydrogen 3.156 N/A ASN 228.A ND2 ASP 230.A O no hydrogen 3.592 N/A ASN 228.A ND2 LYS 232.A O no hydrogen 3.195 N/A LYS 229.A NZ GLN 207.A OE1 no hydrogen 2.535 N/A ASP 230.A N ASN 228.A OD1 no hydrogen 3.128 N/A ARG 233.A NE ASP 175.A OD1 no hydrogen 2.760 N/A SER 234.A N LEU 174.A O no hydrogen 3.005 N/A SER 234.A OG ASP 198.A O no hydrogen 3.373 N/A HIS 235.A N SER 196.A O no hydrogen 2.936 N/A HIS 235.A NE2 ASP 171.A OD1 no hydrogen 2.685 N/A PHE 236.A N PHE 172.A O no hydrogen 3.017 N/A VAL 237.A N TYR 193.A O no hydrogen 2.915 N/A LEU 238.A N LEU 170.A O no hydrogen 2.798 N/A ILE 239.A N PHE 191.A O no hydrogen 3.044 N/A ALA 240.A N LEU 168.A O no hydrogen 2.781 N/A GLY 241.A N THR 189.A O no hydrogen 2.858 N/A GLU 242.A N PRO 166.A O no hydrogen 3.190 N/A LEU 244.A N ASP 35.A OD1 no hydrogen 2.834 N/A LEU 244.A N ASP 35.A OD2 no hydrogen 3.167 N/A ARG 245.A N ASP 35.A OD2 no hydrogen 3.003 N/A ILE 249.A N MET 256.A O no hydrogen 2.911 N/A GLN 250.A NE2 GLY 252.A O no hydrogen 3.613 N/A HIS 251.A N PHE 254.A O no hydrogen 2.847 N/A PHE 254.A N HIS 251.A O no hydrogen 3.073 N/A VAL 255.A N ARG 57.A O no hydrogen 3.158 N/A MET 256.A N ILE 249.A O no hydrogen 2.993 N/A ASN 257.A N GLU 261.A OE1 no hydrogen 2.824 N/A ASN 257.A ND2 PRO 247.A O no hydrogen 2.787 N/A THR 258.A N GLU 261.A OE1 no hydrogen 3.313 N/A GLU 261.A N THR 258.A OG1 no hydrogen 3.240 N/A ILE 262.A N THR 258.A O no hydrogen 3.163 N/A SER 263.A N ASN 259.A O no hydrogen 2.955 N/A SER 263.A OG ASN 259.A O no hydrogen 3.288 N/A GLN 264.A N GLU 260.A O no hydrogen 3.091 N/A ALA 265.A N GLU 261.A O no hydrogen 2.811 N/A ILE 266.A N ILE 262.A O no hydrogen 3.053 N/A LEU 267.A N SER 263.A O no hydrogen 2.964 N/A ASP 268.A N GLN 264.A O no hydrogen 2.662 N/A PHE 269.A N ALA 265.A O no hydrogen 2.964 N/A ARG 270.A N ILE 266.A O no hydrogen 2.934 N/A ASN 271.A N LEU 267.A O no hydrogen 2.861 N/A ALA 272.A N PHE 269.A O no hydrogen 3.374 N/A LYS 273.A N ASP 268.A O no hydrogen 2.869 N/A GLY 275.A N GLU 277.A OE1 no hydrogen 2.416 N/A PHE 276.A N LYS 273.A O no hydrogen 3.130 N/A ALA 279.A N PHE 276.A O no hydrogen 2.966 N/A LYS 280.A NZ ARG 270.A O no hydrogen 3.279 N/A TRP 282.A N ARG 278.A O no hydrogen 3.138 N/A SER 284.A N ASP 53.A OD2 no hydrogen 3.045 N/A SER 284.A OG ASP 53.A OD1 no hydrogen 2.641 N/A LYS 285.A N GLU 74.A OE1 no hydrogen 3.213 N/A LYS 285.A N GLU 74.A OE2 no hydrogen 3.030 N/A ILE 286.A N GLU 74.A OE1 no hydrogen 3.349 N/A GLY 287.A N SER 284.A OG no hydrogen 2.857 N/A ASN 288.A N LYS 285.A O no hydrogen 3.266 N/A