Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a46_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 5.A OE1 no hydrogen 2.893 N/A GLY 3.A N GLY 169.A O no hydrogen 2.650 N/A VAL 6.A N GLU 2.A O no hydrogen 3.152 N/A ALA 7.A N GLY 3.A O no hydrogen 2.910 N/A LEU 8.A N PRO 4.A O no hydrogen 3.034 N/A THR 9.A N GLU 5.A O no hydrogen 2.927 N/A THR 9.A OG1 GLU 5.A O no hydrogen 2.764 N/A ALA 10.A N VAL 6.A O no hydrogen 2.967 N/A ASP 11.A N ALA 7.A O no hydrogen 3.037 N/A ILE 12.A N LEU 8.A O no hydrogen 2.976 N/A LEU 13.A N THR 9.A O no hydrogen 2.921 N/A GLU 14.A N ALA 10.A O no hydrogen 2.806 N/A LYS 15.A N ASP 11.A O no hydrogen 2.982 N/A LYS 15.A NZ TYR 16.A OH no hydrogen 3.549 N/A LYS 15.A NZ LYS 230.A O no hydrogen 2.970 N/A TYR 16.A N ILE 12.A O no hydrogen 2.999 N/A TYR 16.A OH GLU 227.A OE1 no hydrogen 2.290 N/A PHE 17.A N LEU 13.A O no hydrogen 2.756 N/A LYS 18.A N GLU 14.A O no hydrogen 3.007 N/A LYS 18.A NZ GLU 14.A OE2 no hydrogen 3.467 N/A GLY 19.A N VAL 51.A O no hydrogen 2.683 N/A LYS 20.A N PHE 17.A O no hydrogen 3.054 N/A LEU 22.A N LEU 49.A O no hydrogen 2.700 N/A GLU 23.A N SER 100.A O no hydrogen 2.777 N/A TYR 24.A N SER 100.A O no hydrogen 3.154 N/A ASP 26.A N VAL 98.A O no hydrogen 2.810 N/A ILE 28.A N ARG 96.A O no hydrogen 3.034 N/A SER 29.A OG THR 95.A O no hydrogen 2.899 N/A ARG 31.A NH1 GLY 116.A O no hydrogen 3.026 N/A SER 33.A N GLY 30.A O no hydrogen 3.245 N/A SER 33.A OG GLY 30.A O no hydrogen 2.659 N/A LYS 34.A N ARG 31.A O no hydrogen 3.001 N/A SER 35.A N ARG 31.A O no hydrogen 2.888 N/A TYR 40.A N PRO 37.A O no hydrogen 3.210 N/A TYR 40.A OH ILE 25.A O no hydrogen 2.734 N/A PHE 43.A N GLY 39.A O no hydrogen 3.211 N/A ILE 44.A N TYR 40.A O no hydrogen 2.985 N/A ALA 45.A N ASP 41.A O no hydrogen 3.215 N/A ASN 46.A N PHE 43.A O no hydrogen 2.820 N/A ASN 46.A ND2 ASP 42.A O no hydrogen 2.802 N/A LEU 47.A N ILE 44.A O no hydrogen 3.373 N/A LEU 49.A N LEU 22.A O no hydrogen 3.053 N/A LYS 50.A N PHE 66.A O no hydrogen 2.920 N/A VAL 51.A N LYS 20.A O no hydrogen 2.851 N/A SER 52.A N GLU 64.A O no hydrogen 2.883 N/A SER 52.A OG ASN 53.A OD1 no hydrogen 3.080 N/A SER 52.A OG GLU 64.A O no hydrogen 2.823 N/A ASN 53.A N GLU 64.A O no hydrogen 3.269 N/A VAL 54.A N GLU 14.A OE1 no hydrogen 3.302 N/A ASP 55.A N TRP 62.A O no hydrogen 2.911 N/A THR 56.A N ASP 55.A OD1 no hydrogen 2.617 N/A LYS 57.A N PHE 60.A O no hydrogen 2.890 N/A LYS 57.A NZ LEU 131.A O no hydrogen 2.754 N/A LYS 57.A NZ LEU 134.A O no hydrogen 3.000 N/A GLY 58.A N ASP 137.A OD2 no hydrogen 2.768 N/A LYS 59.A NZ LEU 170.A O no hydrogen 2.999 N/A PHE 60.A N LYS 57.A O no hydrogen 2.880 N/A LEU 61.A N ASN 79.A O no hydrogen 3.107 N/A TRP 62.A N ASP 55.A O no hydrogen 2.876 N/A PHE 63.A N ILE 77.A O no hydrogen 2.927 N/A GLU 64.A N ASN 53.A O no hydrogen 2.823 N/A LEU 65.A N TRP 75.A O no hydrogen 2.731 N/A PHE 66.A N LYS 50.A O no hydrogen 2.945 N/A ASP 67.A N ASN 73.A O no hydrogen 3.362 N/A ASN 69.A N ASP 67.A OD2 no hydrogen 3.352 N/A ASP 70.A N ASP 67.A O no hydrogen 2.703 N/A SER 72.A N ASP 70.A OD2 no hydrogen 3.174 N/A ASN 73.A N ASP 70.A O no hydrogen 2.889 N/A ASN 73.A N ASP 70.A OD2 no hydrogen 3.385 N/A TRP 75.A N LEU 65.A O no hydrogen 2.752 N/A TYR 76.A N SER 121.A O no hydrogen 2.648 N/A ILE 77.A N PHE 63.A O no hydrogen 2.962 N/A TRP 78.A N LYS 119.A O no hydrogen 2.639 N/A ASN 79.A N LEU 61.A O no hydrogen 2.826 N/A ASN 79.A ND2 THR 117.A O no hydrogen 2.954 N/A THR 80.A N THR 117.A O no hydrogen 2.890 N/A THR 84.A OG1 ASP 111.A OD1 no hydrogen 2.629 N/A GLY 85.A N PHE 81.A O no hydrogen 2.894 N/A MET 86.A N SER 110.A O no hydrogen 2.803 N/A TRP 87.A NE1 ASN 79.A OD1 no hydrogen 2.975 N/A SER 88.A N TYR 108.A O no hydrogen 2.668 N/A SER 88.A OG PHE 90.A O no hydrogen 2.686 N/A SER 88.A OG TYR 108.A O no hydrogen 3.542 N/A ALA 92.A N PHE 90.A O no hydrogen 2.789 N/A LYS 93.A NZ TYR 94.A OH no hydrogen 3.359 N/A THR 95.A OG1 ALA 92.A O no hydrogen 2.640 N/A ARG 96.A N PHE 109.A O no hydrogen 2.765 N/A ARG 96.A NE ASP 111.A O no hydrogen 2.863 N/A ARG 96.A NH1 SER 29.A OG no hydrogen 2.966 N/A ARG 96.A NH2 ASP 111.A O no hydrogen 3.122 N/A ARG 96.A NH2 MET 112.A O no hydrogen 3.103 N/A ALA 97.A N PHE 109.A O no hydrogen 3.120 N/A VAL 98.A N ASP 26.A O no hydrogen 2.757 N/A LEU 99.A N ALA 107.A O no hydrogen 2.907 N/A SER 100.A N TYR 24.A O no hydrogen 2.624 N/A PHE 101.A N LEU 105.A O no hydrogen 2.848 N/A ASP 102.A N THR 21.A O no hydrogen 2.951 N/A ALA 107.A N LEU 99.A O no hydrogen 3.098 N/A TYR 108.A N SER 88.A O no hydrogen 2.837 N/A PHE 109.A N ALA 97.A O no hydrogen 3.061 N/A SER 110.A N MET 86.A O no hydrogen 2.727 N/A SER 110.A OG ASN 223.A OD1 no hydrogen 3.257 N/A ASP 111.A N TYR 94.A O no hydrogen 2.897 N/A ARG 113.A N THR 84.A OG1 no hydrogen 3.125 N/A ASN 114.A N ASP 111.A O no hydrogen 3.201 N/A ASN 114.A N ASP 111.A OD1 no hydrogen 3.237 N/A GLY 116.A N ASP 111.A OD2 no hydrogen 2.726 N/A THR 117.A N THR 80.A O no hydrogen 2.853 N/A PHE 118.A N TYR 32.A OH no hydrogen 3.023 N/A LYS 119.A N TRP 78.A O no hydrogen 3.009 N/A LYS 119.A NZ GLU 38.A OE2 no hydrogen 2.502 N/A LYS 119.A NZ GLU 126.A OE2 no hydrogen 2.766 N/A PHE 120.A N GLU 38.A O no hydrogen 2.977 N/A SER 121.A N TYR 76.A O no hydrogen 3.031 N/A SER 123.A N SER 121.A OG no hydrogen 3.089 N/A GLU 126.A N SER 123.A OG no hydrogen 3.048 N/A LEU 127.A N SER 123.A O no hydrogen 3.316 N/A LYS 128.A N GLU 124.A O no hydrogen 2.990 N/A ARG 129.A N LYS 125.A O no hydrogen 3.168 N/A LYS 130.A N GLU 126.A O no hydrogen 3.039 N/A LEU 131.A N LEU 127.A O no hydrogen 2.931 N/A ASN 132.A N LYS 128.A O no hydrogen 2.991 N/A GLU 133.A N LYS 130.A O no hydrogen 3.129 N/A LEU 134.A N LEU 131.A O no hydrogen 3.140 N/A GLY 135.A N GLN 163.A O no hydrogen 2.854 N/A PHE 138.A N SER 168.A O no hydrogen 3.025 N/A LEU 139.A N ASP 137.A OD1 no hydrogen 2.868 N/A LYS 140.A N ASP 137.A OD1 no hydrogen 3.071 N/A LYS 140.A NZ ASP 55.A OD1 no hydrogen 2.989 N/A LYS 140.A NZ THR 56.A O no hydrogen 2.758 N/A LYS 140.A NZ THR 56.A OG1 no hydrogen 3.276 N/A ASN 141.A N ASP 137.A O no hydrogen 2.834 N/A ASP 143.A N ASN 141.A OD1 no hydrogen 2.907 N/A SER 147.A OG ASP 145.A OD1 no hydrogen 2.834 N/A SER 147.A OG ASP 145.A OD2 no hydrogen 3.025 N/A LYS 148.A NZ LYS 165.A O no hydrogen 3.185 N/A ILE 149.A N ILE 146.A O no hydrogen 2.809 N/A LYS 150.A N SER 147.A O no hydrogen 3.173 N/A LYS 150.A NZ LEU 193.A O no hydrogen 2.617 N/A LYS 150.A NZ ASP 195.A OD1 no hydrogen 3.527 N/A LYS 151.A N LYS 148.A O no hydrogen 3.066 N/A TYR 152.A N ILE 149.A O no hydrogen 3.122 N/A ILE 156.A N LYS 188.A O no hydrogen 2.745 N/A VAL 157.A N PRO 186.A O no hydrogen 3.392 N/A ALA 158.A N PRO 155.A O no hydrogen 2.727 N/A LEU 159.A N PRO 155.A O no hydrogen 3.159 N/A LEU 160.A N ILE 156.A O no hydrogen 3.084 N/A MET 161.A N VAL 157.A O no hydrogen 3.090 N/A ASP 162.A N ALA 158.A O no hydrogen 3.035 N/A GLN 163.A NE2 MET 161.A O no hydrogen 2.733 N/A GLN 163.A NE2 LEU 170.A O no hydrogen 2.973 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 2.707 N/A LYS 164.A NZ ASN 132.A O no hydrogen 2.976 N/A LYS 165.A N ASP 162.A OD1 no hydrogen 2.787 N/A LYS 165.A NZ ASP 162.A OD2 no hydrogen 3.208 N/A SER 168.A N PRO 136.A O no hydrogen 2.769 N/A SER 168.A OG GLY 135.A O no hydrogen 2.683 N/A GLY 169.A N GLN 163.A OE1 no hydrogen 2.764 N/A GLY 171.A N GLU 2.A OE1 no hydrogen 2.757 N/A ASN 172.A ND2 THR 277.A O no hydrogen 2.971 N/A TYR 173.A N GLU 2.A OE2 no hydrogen 2.966 N/A TYR 173.A OH GLU 5.A OE1 no hydrogen 3.078 N/A TYR 173.A OH GLU 5.A OE2 no hydrogen 2.531 N/A LEU 174.A N GLU 2.A OE1 no hydrogen 3.144 N/A VAL 175.A N GLY 171.A O no hydrogen 3.052 N/A GLU 177.A N TYR 173.A O no hydrogen 3.190 N/A ILE 178.A N LEU 174.A O no hydrogen 2.904 N/A LEU 179.A N VAL 175.A O no hydrogen 2.973 N/A TYR 180.A N ALA 176.A O no hydrogen 3.239 N/A TYR 180.A OH ASP 257.A OD2 no hydrogen 2.757 N/A ARG 181.A N GLU 177.A O no hydrogen 3.103 N/A ARG 181.A NH1 GLU 244.A OE2 no hydrogen 3.555 N/A ARG 181.A NH2 GLU 244.A OE2 no hydrogen 2.985 N/A ALA 182.A N ILE 178.A O no hydrogen 2.918 N/A LYS 183.A N TYR 180.A O no hydrogen 2.996 N/A ILE 184.A N LEU 179.A O no hydrogen 2.822 N/A ASP 185.A N LYS 286.A O no hydrogen 3.118 N/A HIS 187.A N ASP 185.A OD1 no hydrogen 2.729 N/A HIS 187.A ND1 ASP 185.A OD1 no hydrogen 2.837 N/A LYS 188.A N ASP 185.A O no hydrogen 3.092 N/A LYS 188.A NZ GLU 197.A OE1 no hydrogen 3.033 N/A LYS 188.A NZ GLU 197.A OE2 no hydrogen 3.132 N/A GLY 190.A N GLN 154.A O no hydrogen 2.877 N/A SER 191.A N TYR 152.A O no hydrogen 2.926 N/A ASN 192.A N LEU 189.A O no hydrogen 2.953 N/A LEU 193.A N GLY 190.A O no hydrogen 3.224 N/A THR 194.A N GLU 197.A OE1 no hydrogen 2.903 N/A GLU 197.A N THR 194.A OG1 no hydrogen 2.865 N/A ILE 198.A N THR 194.A O no hydrogen 2.913 N/A GLU 199.A N ASP 195.A O no hydrogen 3.134 N/A ASN 200.A N GLN 196.A O no hydrogen 3.191 N/A LEU 201.A N GLU 197.A O no hydrogen 2.755 N/A TRP 202.A N ILE 198.A O no hydrogen 2.957 N/A TYR 203.A N GLU 199.A O no hydrogen 3.159 N/A TRP 204.A N ASN 200.A O no hydrogen 3.132 N/A ILE 205.A N LEU 201.A O no hydrogen 2.881 N/A LYS 206.A N TRP 202.A O no hydrogen 3.220 N/A TYR 207.A N TYR 203.A O no hydrogen 3.020 N/A TYR 207.A OH GLU 244.A OE1 no hydrogen 2.290 N/A GLU 208.A N TRP 204.A O no hydrogen 2.833 N/A THR 209.A N ILE 205.A O no hydrogen 2.954 N/A THR 209.A OG1 ILE 205.A O no hydrogen 2.819 N/A THR 209.A OG1 LYS 206.A O no hydrogen 3.124 N/A LYS 210.A N LYS 206.A O no hydrogen 2.993 N/A LYS 210.A NZ ASN 235.A OD1 no hydrogen 3.241 N/A LYS 210.A NZ TYR 236.A O no hydrogen 2.957 N/A LYS 210.A NZ HIS 237.A O no hydrogen 2.730 N/A LYS 210.A NZ ILE 240.A O no hydrogen 2.941 N/A LEU 211.A N TYR 207.A O no hydrogen 2.960 N/A ALA 212.A N GLU 208.A O no hydrogen 2.930 N/A TYR 213.A N THR 209.A O no hydrogen 2.844 N/A TYR 213.A OH ASP 11.A OD2 no hydrogen 2.687 N/A ASP 214.A N LYS 210.A O no hydrogen 2.961 N/A SER 215.A N ALA 212.A O no hydrogen 3.150 N/A SER 215.A OG LEU 211.A O no hydrogen 2.853 N/A ASN 216.A N GLU 246.A OE1 no hydrogen 3.249 N/A ASN 216.A N GLU 246.A OE2 no hydrogen 3.066 N/A HIS 217.A N GLU 246.A OE2 no hydrogen 3.019 N/A HIS 217.A ND1 HIS 217.A O no hydrogen 2.922 N/A LEU 224.A N MET 221.A O no hydrogen 3.210 N/A GLU 225.A N VAL 222.A O no hydrogen 3.344 N/A SER 228.A N LEU 224.A O no hydrogen 2.782 N/A SER 228.A OG LEU 224.A O no hydrogen 2.996 N/A SER 229.A OG ASN 226.A O no hydrogen 2.963 N/A LYS 230.A N GLU 227.A O no hydrogen 2.940 N/A LYS 230.A NZ ASN 226.A O no hydrogen 2.776 N/A LYS 230.A NZ GLU 227.A OE1 no hydrogen 3.040 N/A ARG 233.A NE TYR 213.A O no hydrogen 2.887 N/A ARG 233.A NH1 SER 228.A O no hydrogen 2.814 N/A ARG 233.A NH1 GLY 232.A O no hydrogen 3.144 N/A ARG 233.A NH2 SER 215.A O no hydrogen 2.830 N/A ARG 233.A NH2 ASN 216.A OD1 no hydrogen 2.894 N/A ARG 233.A NH2 SER 228.A O no hydrogen 3.321 N/A LYS 234.A N TYR 213.A OH no hydrogen 2.976 N/A TYR 236.A N LYS 234.A O no hydrogen 2.988 N/A HIS 237.A ND1 ASP 142.A OD1 no hydrogen 2.924 N/A HIS 237.A NE2 PHE 138.A O no hydrogen 2.823 N/A ILE 240.A N HIS 237.A O no hydrogen 3.053 N/A THR 243.A N TYR 207.A OH no hydrogen 3.029 N/A THR 243.A OG1 GLU 244.A OE1 no hydrogen 3.051 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.613 N/A PHE 247.A N SER 215.A OG no hydrogen 2.842 N/A LEU 250.A N GLU 177.A OE1 no hydrogen 2.796 N/A VAL 251.A N GLU 177.A OE2 no hydrogen 2.796 N/A TYR 252.A N GLU 177.A OE2 no hydrogen 2.821 N/A LYS 254.A N VAL 251.A O no hydrogen 2.905 N/A ASP 257.A N ASN 261.A O no hydrogen 2.915 N/A ASN 259.A N ASP 257.A OD1 no hydrogen 2.818 N/A GLY 260.A N ASP 257.A O no hydrogen 3.012 N/A ASN 261.A N ASP 257.A OD1 no hydrogen 2.917 N/A VAL 263.A N LYS 255.A O no hydrogen 3.013 N/A ILE 264.A N TRP 280.A O no hydrogen 2.816 N/A ASP 266.A N THR 278.A O no hydrogen 2.858 N/A SER 271.A N ASN 274.A OD1 no hydrogen 2.962 N/A ASN 274.A N SER 271.A O no hydrogen 2.852 N/A ARG 276.A N ILE 269.A O no hydrogen 3.395 N/A THR 278.A N ASP 266.A O no hydrogen 2.621 N/A TRP 280.A N ILE 264.A O no hydrogen 3.100 N/A TRP 280.A NE1 ASP 266.A OD1 no hydrogen 3.234 N/A ALA 281.A N GLN 285.A OE1 no hydrogen 2.849 N/A ILE 284.A N ALA 281.A O no hydrogen 2.880 N/A GLN 285.A N ALA 281.A O no hydrogen 2.793 N/A GLN 285.A NE2 ILE 184.A O no hydrogen 2.964 N/A