Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3acw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 5.A OD2 no hydrogen 2.920 N/A ASP 5.A N THR 2.A OG1 no hydrogen 2.977 N/A MET 6.A N THR 2.A O no hydrogen 3.053 N/A ASN 7.A N MET 3.A O no hydrogen 3.093 N/A PHE 8.A N MET 4.A O no hydrogen 2.989 N/A LYS 9.A N ASP 5.A O no hydrogen 2.805 N/A TYR 10.A N MET 6.A O no hydrogen 3.065 N/A TYR 10.A OH ASP 83.A OD2 no hydrogen 2.907 N/A CYS 11.A N ASN 7.A O no hydrogen 3.141 N/A CYS 11.A SG ASN 7.A O no hydrogen 3.484 N/A HIS 12.A N PHE 8.A O no hydrogen 2.892 N/A HIS 12.A NE2 ASP 27.A OD2 no hydrogen 2.640 N/A LYS 13.A N LYS 9.A O no hydrogen 2.908 N/A ILE 14.A N TYR 10.A O no hydrogen 3.021 N/A MET 15.A N CYS 11.A O no hydrogen 2.984 N/A LYS 16.A N HIS 12.A O no hydrogen 2.865 N/A LYS 17.A N LYS 13.A O no hydrogen 2.936 N/A HIS 18.A N ILE 14.A O no hydrogen 3.143 N/A HIS 18.A ND1 TYR 41.A OH no hydrogen 2.831 N/A SER 19.A N MET 15.A O no hydrogen 2.888 N/A LYS 20.A NZ LYS 16.A O no hydrogen 2.865 N/A PHE 22.A N SER 19.A OG no hydrogen 2.969 N/A SER 23.A N SER 19.A O no hydrogen 3.135 N/A SER 23.A OG SER 19.A O no hydrogen 2.909 N/A SER 23.A OG LYS 20.A O no hydrogen 3.110 N/A TYR 24.A N LYS 20.A O no hydrogen 2.922 N/A ALA 25.A N SER 21.A O no hydrogen 3.241 N/A PHE 26.A N PHE 22.A O no hydrogen 2.819 N/A ASP 27.A N SER 23.A O no hydrogen 2.976 N/A LEU 28.A N ALA 25.A O no hydrogen 3.019 N/A LEU 29.A N PHE 26.A O no hydrogen 3.049 N/A GLN 33.A NE2 GLU 236.A OE1 no hydrogen 3.195 N/A ARG 34.A N PRO 30.A O no hydrogen 2.903 N/A ARG 34.A NE GLU 31.A OE1 no hydrogen 2.961 N/A ARG 34.A NH1 ASP 27.A O no hydrogen 2.975 N/A ARG 34.A NH2 GLU 31.A OE1 no hydrogen 3.327 N/A LYS 35.A N GLU 31.A O no hydrogen 3.036 N/A ALA 36.A N ASP 32.A O no hydrogen 3.233 N/A VAL 37.A N GLN 33.A O no hydrogen 2.959 N/A TRP 38.A N ARG 34.A O no hydrogen 2.863 N/A TRP 38.A NE1 ASP 27.A OD1 no hydrogen 2.860 N/A ALA 39.A N LYS 35.A O no hydrogen 3.036 N/A ILE 40.A N ALA 36.A O no hydrogen 3.046 N/A TYR 41.A N VAL 37.A O no hydrogen 2.834 N/A TYR 41.A OH HIS 18.A ND1 no hydrogen 2.831 N/A ALA 42.A N TRP 38.A O no hydrogen 2.886 N/A VAL 43.A N ALA 39.A O no hydrogen 3.051 N/A CYS 44.A N ILE 40.A O no hydrogen 3.049 N/A CYS 44.A SG ILE 40.A O no hydrogen 3.401 N/A ARG 45.A N TYR 41.A O no hydrogen 2.943 N/A LYS 46.A N ALA 42.A O no hydrogen 2.960 N/A LYS 46.A NZ ASP 83.A OD2 no hydrogen 2.903 N/A ILE 47.A N VAL 43.A O no hydrogen 3.018 N/A ASP 48.A N CYS 44.A O no hydrogen 2.902 N/A ASP 49.A N ARG 45.A O no hydrogen 2.974 N/A SER 50.A N ILE 47.A O no hydrogen 3.355 N/A SER 50.A OG ILE 47.A O no hydrogen 2.886 N/A VAL 53.A N SER 50.A O no hydrogen 3.378 N/A GLY 55.A N ILE 51.A O no hydrogen 2.767 N/A GLN 58.A N ASP 56.A OD1 no hydrogen 3.111 N/A ASN 61.A N ILE 57.A O no hydrogen 2.950 N/A GLN 62.A N GLN 58.A O no hydrogen 3.131 N/A ILE 63.A N PHE 59.A O no hydrogen 2.979 N/A LYS 64.A N LEU 60.A O no hydrogen 2.968 N/A GLU 65.A N ASN 61.A O no hydrogen 2.989 N/A ASP 66.A N GLN 62.A O no hydrogen 2.889 N/A ILE 67.A N ILE 63.A O no hydrogen 2.973 N/A GLN 68.A N LYS 64.A O no hydrogen 2.884 N/A SER 69.A N GLU 65.A O no hydrogen 2.997 N/A SER 69.A OG GLU 65.A O no hydrogen 3.256 N/A ILE 70.A N ASP 66.A O no hydrogen 3.125 N/A GLU 71.A N ILE 67.A O no hydrogen 2.938 N/A LYS 72.A N GLN 68.A O no hydrogen 2.995 N/A TYR 73.A N SER 69.A O no hydrogen 2.886 N/A TYR 75.A OH GLN 95.A O no hydrogen 3.001 N/A GLU 76.A N TYR 73.A O no hydrogen 3.220 N/A HIS 78.A NE2 TYR 73.A O no hydrogen 2.770 N/A GLN 81.A N ASP 66.A OD1 no hydrogen 2.811 N/A SER 82.A N ASP 66.A OD2 no hydrogen 2.845 N/A SER 82.A OG ASP 66.A OD2 no hydrogen 2.602 N/A ARG 84.A NE TYR 77.A OH no hydrogen 3.446 N/A ARG 84.A NH2 TYR 77.A OH no hydrogen 2.811 N/A ILE 86.A N ASP 83.A OD1 no hydrogen 3.350 N/A MET 87.A N ASP 83.A O no hydrogen 3.048 N/A MET 88.A N ARG 84.A O no hydrogen 2.845 N/A ALA 89.A N ARG 85.A O no hydrogen 3.205 N/A LEU 90.A N ILE 86.A O no hydrogen 2.838 N/A GLN 91.A N MET 87.A O no hydrogen 2.852 N/A HIS 92.A N MET 88.A O no hydrogen 2.960 N/A VAL 93.A N ALA 89.A O no hydrogen 3.004 N/A ALA 94.A N LEU 90.A O no hydrogen 2.814 N/A GLN 95.A N GLN 91.A O no hydrogen 2.989 N/A GLN 95.A N HIS 92.A O no hydrogen 3.240 N/A GLN 95.A NE2 PRO 74.A O no hydrogen 2.864 N/A HIS 96.A N VAL 93.A O no hydrogen 2.956 N/A HIS 96.A ND1 HIS 92.A O no hydrogen 2.773 N/A LYS 97.A N VAL 93.A O no hydrogen 2.774 N/A LYS 97.A NZ PRO 143.A O no hydrogen 3.370 N/A GLN 102.A NE2 ASN 106.A OD1 no hydrogen 2.850 N/A SER 103.A N ALA 100.A O no hydrogen 2.986 N/A SER 103.A OG GLU 139.A OE1 no hydrogen 2.630 N/A TYR 105.A N PHE 101.A O no hydrogen 3.045 N/A TYR 105.A OH GLU 71.A OE1 no hydrogen 2.671 N/A ASN 106.A N GLN 102.A O no hydrogen 2.785 N/A ASN 106.A ND2 TYR 131.A OH no hydrogen 3.034 N/A LEU 107.A N SER 103.A O no hydrogen 3.047 N/A ILE 108.A N PHE 104.A O no hydrogen 2.896 N/A ASP 109.A N TYR 105.A O no hydrogen 2.895 N/A THR 110.A N ASN 106.A O no hydrogen 2.991 N/A THR 110.A OG1 ASN 106.A O no hydrogen 2.817 N/A VAL 111.A N LEU 107.A O no hydrogen 2.960 N/A TYR 112.A N ILE 108.A O no hydrogen 2.977 N/A TYR 112.A OH ASN 61.A OD1 no hydrogen 2.194 N/A LYS 113.A N ASP 109.A O no hydrogen 3.145 N/A ASP 114.A N THR 110.A O no hydrogen 3.112 N/A ASP 114.A N VAL 111.A O no hydrogen 3.222 N/A GLN 115.A N TYR 112.A O no hydrogen 3.313 N/A HIS 116.A N LYS 113.A O no hydrogen 2.828 N/A PHE 117.A N ASP 114.A O no hydrogen 3.073 N/A GLU 121.A N GLU 125.A OE1 no hydrogen 2.972 N/A THR 122.A OG1 GLU 125.A OE2 no hydrogen 3.498 N/A GLU 125.A N THR 122.A OG1 no hydrogen 3.326 N/A LEU 126.A N THR 122.A O no hydrogen 3.257 N/A PHE 127.A N ASP 123.A O no hydrogen 2.753 N/A GLY 128.A N ALA 124.A O no hydrogen 2.942 N/A TYR 129.A N GLU 125.A O no hydrogen 2.998 N/A CYS 130.A N LEU 126.A O no hydrogen 2.919 N/A CYS 130.A SG LEU 126.A O no hydrogen 3.485 N/A TYR 131.A N PHE 127.A O no hydrogen 2.912 N/A TYR 131.A OH GLU 139.A OE1 no hydrogen 2.652 N/A GLY 132.A N GLY 128.A O no hydrogen 2.960 N/A VAL 133.A N TYR 129.A O no hydrogen 2.934 N/A ALA 134.A N CYS 130.A O no hydrogen 3.009 N/A GLY 135.A N CYS 130.A O no hydrogen 3.009 N/A THR 136.A N TYR 131.A O no hydrogen 2.884 N/A THR 136.A OG1 GLY 132.A O no hydrogen 2.735 N/A GLY 138.A N ALA 134.A O no hydrogen 3.127 N/A GLU 139.A N GLY 135.A O no hydrogen 2.971 N/A VAL 140.A N THR 136.A O no hydrogen 3.000 N/A LEU 141.A N VAL 137.A O no hydrogen 3.038 N/A THR 142.A N GLU 139.A O no hydrogen 3.174 N/A THR 142.A OG1 GLY 138.A O no hydrogen 2.844 N/A ILE 144.A N LEU 141.A O no hydrogen 2.982 N/A LEU 145.A N LEU 141.A O no hydrogen 3.203 N/A LEU 145.A N THR 142.A O no hydrogen 3.082 N/A SER 146.A OG THR 142.A O no hydrogen 2.788 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 3.040 N/A THR 150.A N THR 153.A OG1 no hydrogen 2.889 N/A THR 150.A OG1 THR 153.A OG1 no hydrogen 3.310 N/A GLN 152.A N THR 150.A OG1 no hydrogen 3.009 N/A THR 153.A N THR 150.A OG1 no hydrogen 3.366 N/A THR 153.A OG1 THR 150.A O no hydrogen 3.411 N/A THR 153.A OG1 THR 150.A OG1 no hydrogen 3.310 N/A TYR 154.A N THR 150.A O no hydrogen 3.349 N/A ASP 155.A N HIS 151.A O no hydrogen 2.918 N/A VAL 156.A N GLN 152.A O no hydrogen 2.839 N/A ALA 157.A N THR 153.A O no hydrogen 2.985 N/A ARG 158.A N TYR 154.A O no hydrogen 2.828 N/A ARG 158.A NH1 GLU 139.A OE2 no hydrogen 2.867 N/A ARG 158.A NH2 ASP 155.A OD2 no hydrogen 3.250 N/A ARG 159.A N ASP 155.A O no hydrogen 2.965 N/A ARG 159.A NH1 ASP 155.A OD1 no hydrogen 3.212 N/A ARG 159.A NH2 ASP 155.A OD1 no hydrogen 3.005 N/A LEU 160.A N VAL 156.A O no hydrogen 2.913 N/A GLY 161.A N ALA 157.A O no hydrogen 2.935 N/A GLU 162.A N ARG 158.A O no hydrogen 2.940 N/A SER 163.A N ARG 159.A O no hydrogen 2.987 N/A SER 163.A OG ALA 219.A O no hydrogen 2.975 N/A LEU 164.A N LEU 160.A O no hydrogen 2.919 N/A GLN 165.A N GLY 161.A O no hydrogen 2.974 N/A LEU 166.A N GLU 162.A O no hydrogen 3.036 N/A ILE 167.A N SER 163.A O no hydrogen 2.961 N/A ASN 168.A N LEU 164.A O no hydrogen 2.935 N/A ILE 169.A N GLN 165.A O no hydrogen 2.918 N/A LEU 170.A N LEU 166.A O no hydrogen 2.947 N/A ARG 171.A N ILE 167.A O no hydrogen 2.874 N/A ARG 171.A NE ASP 172.A OD1 no hydrogen 2.705 N/A ARG 171.A NH2 ASP 172.A OD1 no hydrogen 3.343 N/A ARG 171.A NH2 ASP 172.A OD2 no hydrogen 2.898 N/A ASP 172.A N ILE 169.A O no hydrogen 3.086 N/A ASP 176.A N ASP 172.A O no hydrogen 2.824 N/A PHE 177.A N VAL 173.A O no hydrogen 3.018 N/A GLU 178.A N GLY 174.A O no hydrogen 3.056 N/A ASN 179.A N GLU 175.A O no hydrogen 3.164 N/A GLU 180.A N PHE 177.A O no hydrogen 2.915 N/A ARG 181.A N ASP 176.A O no hydrogen 2.863 N/A ARG 181.A NH1 GLU 180.A O no hydrogen 3.256 N/A SER 185.A N TYR 215.A OH no hydrogen 3.200 N/A SER 185.A OG ASP 123.A OD1 no hydrogen 2.682 N/A LYS 186.A N PHE 120.A O no hydrogen 2.825 N/A LYS 186.A NZ GLU 121.A OE1 no hydrogen 3.558 N/A LYS 186.A NZ GLU 121.A OE2 no hydrogen 3.055 N/A GLN 187.A N GLU 121.A O no hydrogen 3.041 N/A ARG 188.A N SER 185.A OG no hydrogen 3.165 N/A ARG 188.A NE ASP 123.A OD2 no hydrogen 2.868 N/A ARG 188.A NH1 GLN 191.A OE1 no hydrogen 2.815 N/A ARG 188.A NH2 ASP 123.A OD2 no hydrogen 3.160 N/A LEU 189.A N SER 185.A O no hydrogen 2.957 N/A LYS 190.A N LYS 186.A O no hydrogen 2.955 N/A GLN 191.A N GLN 187.A O no hydrogen 2.919 N/A TYR 192.A N ARG 188.A O no hydrogen 2.917 N/A GLU 193.A N LYS 190.A O no hydrogen 3.197 N/A VAL 194.A N LEU 189.A O no hydrogen 2.954 N/A GLU 198.A N ASP 195.A OD1 no hydrogen 3.150 N/A VAL 199.A N ASP 195.A O no hydrogen 2.982 N/A TYR 200.A N ILE 196.A O no hydrogen 2.782 N/A TYR 200.A OH GLU 178.A OE2 no hydrogen 2.608 N/A GLN 201.A N ALA 197.A O no hydrogen 3.104 N/A ASN 202.A N GLU 198.A O no hydrogen 2.880 N/A ASN 202.A ND2 GLU 198.A OE2 no hydrogen 2.761 N/A GLY 203.A N VAL 199.A O no hydrogen 2.811 N/A TYR 208.A N ASN 205.A OD1 no hydrogen 2.900 N/A ILE 209.A N ASN 205.A O no hydrogen 3.016 N/A ASP 210.A N ASN 206.A O no hydrogen 2.927 N/A LEU 211.A N HIS 207.A O no hydrogen 3.062 N/A TRP 212.A N TYR 208.A O no hydrogen 2.826 N/A TRP 212.A NE1 LEU 170.A O no hydrogen 2.941 N/A GLU 213.A N ILE 209.A O no hydrogen 2.851 N/A TYR 214.A N ASP 210.A O no hydrogen 2.883 N/A TYR 215.A N LEU 211.A O no hydrogen 3.290 N/A TYR 215.A OH ASP 123.A OD1 no hydrogen 2.607 N/A ALA 216.A N TRP 212.A O no hydrogen 2.915 N/A ALA 217.A N GLU 213.A O no hydrogen 2.885 N/A ILE 218.A N TYR 214.A O no hydrogen 3.460 N/A ALA 219.A N TYR 215.A O no hydrogen 3.046 N/A GLU 220.A N ALA 216.A O no hydrogen 2.912 N/A LYS 221.A N ALA 217.A O no hydrogen 3.011 N/A LYS 221.A NZ ASP 225.A OD2 no hydrogen 2.862 N/A ASP 222.A N ILE 218.A O no hydrogen 2.976 N/A PHE 223.A N ALA 219.A O no hydrogen 2.898 N/A ARG 224.A N GLU 220.A O no hydrogen 2.923 N/A ASP 225.A N LYS 221.A O no hydrogen 2.951 N/A VAL 226.A N ASP 222.A O no hydrogen 2.975 N/A MET 227.A N PHE 223.A O no hydrogen 2.978 N/A ASP 228.A N ARG 224.A O no hydrogen 2.979 N/A GLN 229.A N ASP 225.A O no hydrogen 3.280 N/A GLN 229.A N VAL 226.A O no hydrogen 2.970 N/A ILE 230.A N MET 227.A O no hydrogen 3.284 N/A VAL 232.A N GLN 229.A O no hydrogen 3.102 N/A PHE 233.A N ILE 230.A O no hydrogen 3.019 N/A SER 234.A N LEU 145.A O no hydrogen 2.843 N/A SER 234.A OG LEU 145.A O no hydrogen 3.544 N/A SER 234.A OG GLU 236.A OE1 no hydrogen 3.444 N/A ALA 237.A N SER 234.A OG no hydrogen 3.103 N/A GLN 238.A N SER 234.A O no hydrogen 2.968 N/A GLN 238.A NE2 PHE 233.A O no hydrogen 2.889 N/A ILE 241.A N ALA 237.A O no hydrogen 2.805 N/A GLU 242.A N GLN 238.A O no hydrogen 2.968 N/A LEU 243.A N PRO 239.A O no hydrogen 2.879 N/A ALA 244.A N ILE 240.A O no hydrogen 2.916 N/A ALA 245.A N ILE 241.A O no hydrogen 2.911 N/A ARG 246.A N GLU 242.A O no hydrogen 2.857 N/A ARG 246.A NH1 GLU 250.A OE1 no hydrogen 3.210 N/A ILE 247.A N LEU 243.A O no hydrogen 2.810 N/A TYR 248.A N ALA 244.A O no hydrogen 3.030 N/A ILE 249.A N ALA 245.A O no hydrogen 2.836 N/A GLU 250.A N ARG 246.A O no hydrogen 3.053 N/A ILE 251.A N TYR 248.A O no hydrogen 2.939 N/A LEU 252.A N ILE 249.A O no hydrogen 2.921 N/A GLU 254.A N GLU 250.A O no hydrogen 3.105 N/A VAL 255.A N ILE 251.A O no hydrogen 2.872 N/A ARG 256.A N LEU 252.A O no hydrogen 3.103 N/A ARG 256.A NE GLU 213.A OE2 no hydrogen 2.877 N/A ARG 256.A NH1 GLU 220.A OE2 no hydrogen 3.397 N/A ARG 256.A NH1 ASP 253.A OD1 no hydrogen 2.917 N/A ARG 256.A NH2 GLU 213.A OE1 no hydrogen 2.842 N/A ARG 256.A NH2 GLU 220.A OE2 no hydrogen 2.934 N/A GLN 257.A N ASP 253.A O no hydrogen 2.874 N/A ALA 258.A N GLU 254.A O no hydrogen 3.132 N/A ASN 259.A N ARG 256.A O no hydrogen 3.016 N/A TYR 260.A N VAL 255.A O no hydrogen 2.863 N/A TYR 260.A OH GLU 213.A OE2 no hydrogen 2.610 N/A THR 261.A N ALA 258.A O no hydrogen 3.245 N/A HIS 263.A N THR 261.A OG1 no hydrogen 2.968 N/A HIS 263.A NE2 TYR 200.A O no hydrogen 2.877 N/A ARG 265.A NE GLU 175.A OE1 no hydrogen 3.444 N/A ARG 265.A NH2 GLU 175.A OE1 no hydrogen 3.072 N/A ARG 265.A NH2 GLU 175.A OE2 no hydrogen 3.485 N/A ARG 271.A NH1 ARG 271.A O no hydrogen 2.927 N/A LYS 272.A N GLU 269.A O no hydrogen 2.965 N/A LYS 272.A NZ GLU 250.A OE2 no hydrogen 2.713 N/A LYS 272.A NZ GLU 254.A OE2 no hydrogen 2.852 N/A LYS 273.A N GLU 269.A O no hydrogen 3.129 N/A LYS 273.A NZ VAL 268.A O no hydrogen 2.823 N/A ALA 274.A N LYS 270.A O no hydrogen 2.977 N/A LYS 275.A N ARG 271.A O no hydrogen 3.100 N/A LEU 276.A N LYS 272.A O no hydrogen 2.998 N/A PHE 277.A N LYS 273.A O no hydrogen 2.897 N/A HIS 278.A N ALA 274.A O no hydrogen 2.945 N/A GLU 279.A N LYS 275.A O no hydrogen 3.034 N/A ILE 280.A N LEU 276.A O no hydrogen 3.014 N/A ASN 281.A N PHE 277.A O no hydrogen 2.756 N/A SER 282.A N HIS 278.A O no hydrogen 3.002 N/A SER 282.A OG GLU 279.A O no hydrogen 3.238 N/A LYS 283.A NZ GLU 242.A OE2 no hydrogen 2.336 N/A TYR 284.A N ILE 280.A O no hydrogen 3.044 N/A TYR 284.A OH GLU 242.A OE1 no hydrogen 2.960 N/A