Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aln_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 25.A O no hydrogen 2.725 N/A HIS 2.A NE2 GLY 251.A O no hydrogen 2.869 N/A ARG 4.A NH1 ASN 248.A O no hydrogen 2.849 N/A ARG 4.A NH2 LEU 249.A O no hydrogen 3.002 N/A PHE 5.A N HIS 2.A O no hydrogen 2.943 N/A GLN 6.A N PRO 3.A O no hydrogen 2.974 N/A PHE 9.A N PHE 5.A O no hydrogen 2.949 N/A ALA 10.A N GLN 6.A O no hydrogen 3.182 N/A GLN 11.A N THR 7.A O no hydrogen 3.185 N/A GLN 11.A N ALA 8.A O no hydrogen 2.991 N/A LEU 12.A N PHE 9.A O no hydrogen 2.984 N/A ASN 15.A ND2 ALA 44.A O no hydrogen 3.204 N/A GLN 17.A N ALA 13.A O no hydrogen 2.817 N/A GLN 17.A NE2 LEU 12.A O no hydrogen 2.860 N/A SER 18.A N ASP 14.A O no hydrogen 2.984 N/A SER 18.A OG ASP 14.A O no hydrogen 3.056 N/A ALA 19.A N ASN 15.A O no hydrogen 3.075 N/A LEU 20.A N LEU 16.A O no hydrogen 2.940 N/A GLU 21.A N GLN 17.A O no hydrogen 2.885 N/A LEU 24.A N LEU 20.A O no hydrogen 2.873 N/A ALA 25.A N PRO 22.A O no hydrogen 3.424 N/A LYS 27.A NZ LYS 27.A O no hydrogen 3.445 N/A TYR 28.A N ASP 26.A OD1 no hydrogen 3.360 N/A PHE 29.A N ASP 26.A O no hydrogen 3.069 N/A ALA 31.A N PHE 29.A O no hydrogen 2.946 N/A LEU 33.A N TRP 84.A O no hydrogen 2.873 N/A THR 34.A N GLN 37.A OE1 no hydrogen 2.835 N/A THR 34.A OG1 GLU 36.A OE1 no hydrogen 3.365 N/A THR 34.A OG1 GLN 37.A OE1 no hydrogen 2.970 N/A GLN 37.A N THR 34.A OG1 no hydrogen 3.337 N/A VAL 38.A N THR 34.A O no hydrogen 3.009 N/A SER 39.A N GLY 35.A O no hydrogen 2.930 N/A SER 39.A OG GLY 35.A O no hydrogen 3.251 N/A SER 40.A N GLU 36.A O no hydrogen 3.100 N/A SER 40.A OG GLU 36.A O no hydrogen 2.996 N/A LEU 41.A N GLN 37.A O no hydrogen 3.147 N/A LYS 42.A N VAL 38.A O no hydrogen 2.943 N/A SER 43.A N SER 39.A O no hydrogen 2.944 N/A SER 43.A OG SER 39.A O no hydrogen 3.385 N/A ALA 44.A N SER 40.A O no hydrogen 2.903 N/A THR 45.A N LYS 42.A O no hydrogen 3.141 N/A THR 45.A OG1 LEU 41.A O no hydrogen 2.654 N/A GLY 46.A N LYS 42.A O no hydrogen 2.728 N/A LEU 47.A N THR 45.A OG1 no hydrogen 3.238 N/A ALA 51.A N ASP 48.A OD1 no hydrogen 3.257 N/A LEU 52.A N ASP 48.A O no hydrogen 2.879 N/A ALA 53.A N GLU 49.A O no hydrogen 2.948 N/A PHE 54.A N ASP 50.A O no hydrogen 3.113 N/A ALA 55.A N ALA 51.A O no hydrogen 2.894 N/A LEU 56.A N LEU 52.A O no hydrogen 2.856 N/A LEU 57.A N ALA 53.A O no hydrogen 3.114 N/A LEU 57.A N PHE 54.A O no hydrogen 3.362 N/A LEU 59.A N LEU 56.A O no hydrogen 2.833 N/A ALA 60.A N LEU 56.A O no hydrogen 3.481 N/A ALA 61.A N LEU 57.A O no hydrogen 2.909 N/A ALA 62.A N PRO 58.A O no hydrogen 3.138 N/A ALA 62.A N LEU 59.A O no hydrogen 3.172 N/A CYS 63.A N ALA 60.A O no hydrogen 3.001 N/A CYS 63.A SG LEU 59.A O no hydrogen 3.801 N/A ALA 64.A N ALA 61.A O no hydrogen 3.145 N/A ARG 65.A N ASN 89.A O no hydrogen 2.923 N/A ARG 65.A NH1 ASP 253.A OD1 no hydrogen 3.492 N/A ARG 65.A NH2 ASP 253.A OD1 no hydrogen 2.827 N/A THR 66.A OG1 ASN 72.A OD1 no hydrogen 3.029 N/A LEU 68.A N GLU 91.A OE1 no hydrogen 2.951 N/A SER 69.A N GLU 91.A OE1 no hydrogen 2.981 N/A SER 69.A OG GLU 91.A OE1 no hydrogen 3.292 N/A SER 69.A OG GLU 91.A OE2 no hydrogen 2.532 N/A ASN 70.A N THR 66.A O no hydrogen 2.914 N/A PHE 71.A N SER 69.A OG no hydrogen 3.173 N/A VAL 73.A N ASN 89.A OD1 no hydrogen 2.856 N/A GLY 74.A N ASN 125.A OD1 no hydrogen 2.832 N/A ALA 75.A N GLY 87.A O no hydrogen 2.885 N/A ILE 76.A N THR 123.A O no hydrogen 2.886 N/A ALA 77.A N TYR 85.A O no hydrogen 2.879 N/A ARG 78.A N ALA 121.A O no hydrogen 2.929 N/A ARG 78.A NH1 ASP 50.A OD1 no hydrogen 2.964 N/A ARG 78.A NH2 ASP 50.A OD1 no hydrogen 2.769 N/A ARG 78.A NH2 THR 123.A OG1 no hydrogen 3.311 N/A GLY 79.A N THR 83.A O no hydrogen 2.809 N/A VAL 80.A N ALA 118.A O no hydrogen 2.989 N/A SER 81.A N GLU 116.A OE2 no hydrogen 3.042 N/A SER 81.A OG THR 83.A OG1 no hydrogen 3.081 N/A SER 81.A OG GLU 116.A OE1 no hydrogen 2.736 N/A SER 81.A OG GLU 116.A OE2 no hydrogen 3.388 N/A GLY 82.A N GLY 79.A O no hydrogen 3.012 N/A THR 83.A N SER 81.A OG no hydrogen 3.077 N/A THR 83.A OG1 SER 81.A OG no hydrogen 3.081 N/A TRP 84.A N LEU 33.A O no hydrogen 2.854 N/A TYR 85.A N ALA 77.A O no hydrogen 2.840 N/A TYR 85.A OH GLU 116.A OE1 no hydrogen 2.856 N/A PHE 86.A N ALA 31.A O no hydrogen 2.967 N/A GLY 87.A N ALA 75.A O no hydrogen 2.933 N/A ALA 88.A N SER 106.A OG no hydrogen 3.069 N/A ASN 89.A ND2 PHE 71.A O no hydrogen 2.859 N/A MET 90.A N VAL 101.A O no hydrogen 3.029 N/A GLU 91.A N ARG 65.A O no hydrogen 2.847 N/A ALA 95.A N PHE 92.A O no hydrogen 3.072 N/A GLN 99.A N THR 96.A O no hydrogen 3.099 N/A THR 100.A N MET 97.A O no hydrogen 3.229 N/A THR 100.A OG1 MET 97.A O no hydrogen 2.736 N/A VAL 101.A N MET 90.A O no hydrogen 3.038 N/A HIS 102.A N GLN 105.A OE1 no hydrogen 2.963 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.764 N/A GLN 105.A NE2 PRO 235.A O no hydrogen 3.506 N/A SER 106.A N HIS 102.A O no hydrogen 2.942 N/A SER 106.A OG ALA 88.A O no hydrogen 3.165 N/A ALA 107.A N ALA 103.A O no hydrogen 2.964 N/A ILE 108.A N GLU 104.A O no hydrogen 2.992 N/A SER 109.A N GLN 105.A O no hydrogen 2.838 N/A SER 109.A OG GLN 105.A O no hydrogen 2.730 N/A HIS 110.A N SER 106.A O no hydrogen 2.884 N/A HIS 110.A ND1 PHE 86.A O no hydrogen 2.822 N/A ALA 111.A N ALA 107.A O no hydrogen 3.118 N/A TRP 112.A N ILE 108.A O no hydrogen 2.897 N/A LEU 113.A N SER 109.A O no hydrogen 2.832 N/A SER 114.A N HIS 110.A O no hydrogen 2.917 N/A SER 114.A OG HIS 110.A O no hydrogen 2.761 N/A GLY 115.A N TRP 112.A O no hydrogen 2.898 N/A GLU 116.A N ALA 111.A O no hydrogen 3.040 N/A LYS 117.A NZ GLU 179.A OE2 no hydrogen 2.879 N/A ALA 120.A N ARG 78.A O no hydrogen 2.853 N/A ILE 122.A N ARG 146.A O no hydrogen 2.910 N/A THR 123.A N ILE 76.A O no hydrogen 2.929 N/A VAL 124.A N HIS 148.A O no hydrogen 2.999 N/A ASN 125.A N GLY 74.A O no hydrogen 3.170 N/A CYS 129.A SG HIS 131.A ND1 no hydrogen 3.831 N/A CYS 132.A N CYS 129.A O no hydrogen 3.055 N/A CYS 132.A SG HIS 131.A ND1 no hydrogen 3.821 N/A ARG 133.A N CYS 129.A O no hydrogen 3.052 N/A ARG 133.A NE PRO 128.A O no hydrogen 2.929 N/A ARG 133.A NH1 TYR 160.A O no hydrogen 2.809 N/A ARG 133.A NH2 PRO 128.A O no hydrogen 2.931 N/A GLN 134.A N GLY 130.A O no hydrogen 3.055 N/A GLN 134.A NE2 PHE 165.A O no hydrogen 2.838 N/A PHE 135.A N HIS 131.A O no hydrogen 2.973 N/A MET 136.A N CYS 132.A O no hydrogen 2.794 N/A ASN 137.A N ARG 133.A O no hydrogen 3.167 N/A ASN 137.A N GLN 134.A O no hydrogen 3.101 N/A ASN 137.A ND2 PHE 165.A O no hydrogen 2.926 N/A GLU 138.A N PHE 135.A O no hydrogen 2.948 N/A LEU 139.A N MET 136.A O no hydrogen 3.260 N/A ASN 140.A N LEU 176.A O no hydrogen 2.901 N/A ASN 140.A ND2 LYS 117.A O no hydrogen 2.987 N/A ASN 140.A ND2 ASP 178.A OD1 no hydrogen 3.181 N/A GLY 142.A N LEU 139.A O no hydrogen 2.901 N/A ARG 146.A NE HIS 148.A NE2 no hydrogen 2.930 N/A ILE 147.A N HIS 155.A O no hydrogen 2.842 N/A HIS 148.A N ILE 122.A O no hydrogen 2.846 N/A ARG 152.A N LEU 149.A O no hydrogen 3.288 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 3.053 N/A HIS 155.A N ILE 147.A O no hydrogen 3.255 N/A ARG 158.A N LEU 143.A O no hydrogen 2.867 N/A ARG 158.A NH2 ASP 144.A OD1 no hydrogen 3.086 N/A ASP 159.A N ALA 156.A O no hydrogen 3.067 N/A TYR 160.A N LEU 157.A O no hydrogen 2.800 N/A LEU 161.A N LEU 157.A O no hydrogen 2.955 N/A GLY 166.A N ASP 169.A OD2 no hydrogen 2.896 N/A LYS 168.A NZ ASP 169.A OD2 no hydrogen 3.399 N/A ASP 169.A N GLY 166.A O no hydrogen 3.006 N/A LEU 170.A N PRO 167.A O no hydrogen 2.906 N/A GLU 171.A N LYS 168.A O no hydrogen 2.869 N/A ILE 172.A N PRO 167.A O no hydrogen 2.983 N/A LYS 173.A NZ THR 174.A OG1 no hydrogen 3.401 N/A LEU 175.A N ASP 178.A OD2 no hydrogen 3.034 N/A LEU 176.A N GLU 138.A O no hydrogen 3.063 N/A ASP 178.A N LEU 175.A O no hydrogen 2.952 N/A HIS 182.A N ASN 200.A O no hydrogen 2.855 N/A HIS 182.A NE2 SER 202.A O no hydrogen 2.659 N/A GLY 183.A N ASP 181.A OD1 no hydrogen 3.341 N/A TYR 184.A N ASN 200.A OD1 no hydrogen 2.777 N/A LEU 191.A N ASP 189.A OD2 no hydrogen 3.216 N/A SER 192.A OG ASP 189.A OD1 no hydrogen 2.854 N/A GLN 193.A N ASP 189.A O no hydrogen 2.979 N/A ALA 194.A N ALA 190.A O no hydrogen 3.004 N/A ALA 195.A N LEU 191.A O no hydrogen 2.993 N/A ILE 196.A N SER 192.A O no hydrogen 2.910 N/A ALA 197.A N GLN 193.A O no hydrogen 2.852 N/A ALA 198.A N ALA 194.A O no hydrogen 2.897 N/A ALA 199.A N ALA 195.A O no hydrogen 2.962 N/A ASN 200.A N ILE 196.A O no hydrogen 2.891 N/A ASN 200.A N ALA 197.A O no hydrogen 2.950 N/A ASN 200.A ND2 TYR 184.A O no hydrogen 2.949 N/A ARG 201.A N ALA 198.A O no hydrogen 3.210 N/A ARG 201.A NH2 TRP 112.A O no hydrogen 2.674 N/A SER 202.A N ALA 199.A O no hydrogen 3.237 N/A SER 202.A OG ALA 199.A O no hydrogen 2.775 N/A HIS 203.A N TYR 227.A O no hydrogen 2.851 N/A HIS 203.A ND1 GLN 180.A OE1 no hydrogen 2.863 N/A HIS 203.A NE2 GLU 138.A OE2 no hydrogen 2.977 N/A TYR 206.A N GLU 229.A OE1 no hydrogen 3.065 N/A TYR 206.A OH GLU 138.A OE2 no hydrogen 2.723 N/A SER 207.A N GLU 229.A OE1 no hydrogen 3.033 N/A SER 207.A OG SER 209.A OG no hydrogen 3.234 N/A SER 207.A OG GLU 229.A OE1 no hydrogen 3.530 N/A SER 207.A OG GLU 229.A OE2 no hydrogen 2.546 N/A LYS 208.A N MET 204.A O no hydrogen 2.900 N/A LYS 208.A NZ PRO 205.A O no hydrogen 3.422 N/A SER 209.A N SER 207.A OG no hydrogen 3.335 N/A SER 209.A OG SER 207.A O no hydrogen 3.405 N/A SER 209.A OG SER 207.A OG no hydrogen 3.234 N/A GLY 212.A N ALA 263.A O no hydrogen 3.244 N/A VAL 213.A N GLY 225.A O no hydrogen 3.015 N/A ALA 214.A N VAL 261.A O no hydrogen 2.880 N/A LEU 215.A N PHE 223.A O no hydrogen 2.787 N/A GLU 216.A N ARG 259.A O no hydrogen 2.854 N/A CYS 217.A N ARG 221.A O no hydrogen 2.792 N/A LYS 218.A N ASP 256.A O no hydrogen 2.767 N/A LYS 218.A NZ PRO 255.A O no hydrogen 2.850 N/A GLY 220.A N CYS 217.A O no hydrogen 2.878 N/A ARG 221.A N ASP 219.A OD1 no hydrogen 3.103 N/A ARG 221.A NE TYR 252.A OH no hydrogen 3.268 N/A PHE 223.A N LEU 215.A O no hydrogen 2.898 N/A GLY 225.A N VAL 213.A O no hydrogen 2.822 N/A SER 226.A OG ALA 198.A O no hydrogen 2.788 N/A TYR 227.A N SER 211.A O no hydrogen 3.346 N/A TYR 227.A OH GLU 229.A OE2 no hydrogen 2.735 N/A ALA 228.A N LEU 237.A O no hydrogen 3.092 N/A GLU 229.A N HIS 203.A O no hydrogen 2.819 N/A ASN 230.A N THR 236.A OG1 no hydrogen 2.977 N/A ASN 230.A ND2 GLN 134.A O no hydrogen 3.154 N/A ALA 231.A N GLU 138.A OE1 no hydrogen 2.917 N/A ALA 232.A N ASN 230.A OD1 no hydrogen 2.965 N/A PHE 233.A N ASN 230.A O no hydrogen 2.847 N/A ASN 234.A N ALA 232.A O no hydrogen 2.775 N/A THR 236.A N PHE 233.A O no hydrogen 3.007 N/A THR 236.A OG1 PHE 233.A O no hydrogen 2.724 N/A LEU 237.A N ALA 228.A O no hydrogen 2.825 N/A GLN 241.A NE2 GLN 99.A O no hydrogen 2.750 N/A LEU 244.A N LEU 240.A O no hydrogen 2.977 N/A ILE 245.A N GLN 241.A O no hydrogen 2.812 N/A LEU 246.A N GLY 242.A O no hydrogen 3.070 N/A LEU 247.A N ALA 243.A O no hydrogen 2.898 N/A ASN 248.A N LEU 244.A O no hydrogen 3.117 N/A LEU 249.A N ILE 245.A O no hydrogen 2.950 N/A LYS 250.A N LEU 246.A O no hydrogen 2.939 N/A LYS 250.A NZ PRO 30.A O no hydrogen 2.875 N/A GLY 251.A N ASN 248.A O no hydrogen 3.203 N/A TYR 252.A N LEU 247.A O no hydrogen 3.094 N/A TYR 252.A OH ASP 219.A OD2 no hydrogen 3.003 N/A ASP 253.A N ASP 256.A OD1 no hydrogen 3.251 N/A TYR 254.A N ASP 253.A OD1 no hydrogen 2.726 N/A ASP 256.A N ASP 253.A O no hydrogen 3.038 N/A ILE 257.A N TYR 254.A O no hydrogen 3.100 N/A GLN 258.A N GLU 216.A O no hydrogen 2.719 N/A GLN 258.A NE2 GLU 216.A OE1 no hydrogen 3.184 N/A ARG 259.A N GLU 216.A O no hydrogen 3.292 N/A ARG 259.A NH1 ASP 289.A OD2 no hydrogen 2.933 N/A ARG 259.A NH2 ASP 189.A OD2 no hydrogen 3.351 N/A ALA 260.A N SER 287.A O no hydrogen 2.924 N/A VAL 261.A N ALA 214.A O no hydrogen 2.898 N/A LEU 262.A N ASP 289.A O no hydrogen 2.905 N/A ALA 263.A N GLY 212.A O no hydrogen 2.895 N/A GLU 264.A N VAL 291.A O no hydrogen 3.032 N/A LYS 265.A NZ ASP 267.A OD2 no hydrogen 3.090 N/A GLN 272.A N GLU 264.A OE1 no hydrogen 2.935 N/A THR 276.A N GLN 272.A O no hydrogen 3.013 N/A THR 276.A OG1 GLN 272.A O no hydrogen 2.739 N/A SER 277.A N TRP 273.A O no hydrogen 2.973 N/A SER 277.A OG TRP 273.A O no hydrogen 2.927 N/A ALA 278.A N ASP 274.A O no hydrogen 3.058 N/A THR 279.A N ALA 275.A O no hydrogen 2.998 N/A THR 279.A OG1 ALA 275.A O no hydrogen 2.777 N/A LEU 280.A N THR 276.A O no hydrogen 2.967 N/A LYS 281.A N SER 277.A O no hydrogen 2.868 N/A ALA 282.A N ALA 278.A O no hydrogen 3.020 N/A LEU 283.A N THR 279.A O no hydrogen 2.968 N/A GLY 284.A N LYS 281.A O no hydrogen 2.961 N/A CYS 285.A N LEU 280.A O no hydrogen 2.901 N/A CYS 285.A SG SER 287.A O no hydrogen 3.745 N/A SER 287.A OG GLN 258.A O no hydrogen 3.501 N/A ASP 289.A N ALA 260.A O no hydrogen 3.010 N/A VAL 291.A N LEU 262.A O no hydrogen 2.819 N/A LEU 293.A N GLU 264.A O no hydrogen 2.971 N/A