Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLU 18.A OE2 no hydrogen 3.153 N/A VAL 2.A N THR 22.A OG1 no hydrogen 2.950 N/A ALA 5.A N SER 3.A OG no hydrogen 3.218 N/A GLY 6.A N VAL 308.A O no hydrogen 3.077 N/A ARG 7.A N LEU 4.A O no hydrogen 2.917 N/A ARG 7.A NH1 GLU 19.A OE1 no hydrogen 3.423 N/A ARG 7.A NH1 GLU 19.A OE2 no hydrogen 2.580 N/A ARG 7.A NH2 GLU 19.A OE1 no hydrogen 2.908 N/A LEU 9.A N VAL 125.A O no hydrogen 2.885 N/A GLN 13.A NE2 ASN 202.A OD1 no hydrogen 2.851 N/A ASP 14.A N CYS 11.A O no hydrogen 3.418 N/A TYR 15.A N LEU 12.A O no hydrogen 3.023 N/A TYR 15.A OH ASP 8.A O no hydrogen 2.725 N/A THR 16.A N GLU 19.A OE1 no hydrogen 3.282 N/A GLU 19.A N THR 16.A OG1 no hydrogen 2.975 N/A ILE 20.A N THR 16.A O no hydrogen 2.988 N/A TRP 21.A N ALA 17.A O no hydrogen 2.787 N/A THR 22.A N GLU 18.A O no hydrogen 2.796 N/A THR 22.A OG1 GLU 18.A O no hydrogen 2.877 N/A ILE 23.A N GLU 19.A O no hydrogen 3.205 N/A LEU 24.A N ILE 20.A O no hydrogen 3.181 N/A GLU 25.A N TRP 21.A O no hydrogen 2.981 N/A THR 26.A N THR 22.A O no hydrogen 3.079 N/A THR 26.A OG1 THR 22.A O no hydrogen 2.908 N/A ALA 27.A N ILE 23.A O no hydrogen 2.891 N/A LYS 28.A N LEU 24.A O no hydrogen 2.882 N/A MET 29.A N GLU 25.A O no hydrogen 2.984 N/A PHE 30.A N THR 26.A O no hydrogen 2.956 N/A LYS 31.A N ALA 27.A O no hydrogen 2.884 N/A LYS 31.A NZ GLU 147.A OE1 no hydrogen 3.242 N/A LYS 31.A NZ GLU 147.A OE2 no hydrogen 2.637 N/A LYS 31.A NZ ASN 296.A OD1 no hydrogen 2.663 N/A ILE 32.A N LYS 28.A O no hydrogen 2.972 N/A TRP 33.A N MET 29.A O no hydrogen 2.963 N/A GLN 34.A N PHE 30.A O no hydrogen 3.000 N/A LYS 35.A N LYS 31.A O no hydrogen 2.990 N/A LYS 35.A NZ GLU 295.A OE2 no hydrogen 2.871 N/A ILE 36.A N ILE 32.A O no hydrogen 3.076 N/A ILE 36.A N TRP 33.A O no hydrogen 3.235 N/A GLY 37.A N GLN 34.A O no hydrogen 3.416 N/A LYS 38.A N TRP 33.A O no hydrogen 2.918 N/A LYS 38.A NZ PRO 39.A O no hydrogen 3.042 N/A HIS 40.A ND1 LYS 38.A O no hydrogen 2.897 N/A ARG 41.A NH1 GLU 44.A OE2 no hydrogen 2.972 N/A LEU 42.A N HIS 40.A O no hydrogen 2.697 N/A LEU 43.A N LEU 70.A O no hydrogen 2.792 N/A LYS 46.A N LEU 43.A O no hydrogen 3.061 N/A THR 47.A N ASP 102.A OD2 no hydrogen 2.948 N/A THR 47.A OG1 ASP 102.A OD2 no hydrogen 2.876 N/A LEU 48.A N HIS 73.A O no hydrogen 2.864 N/A ALA 49.A N ALA 103.A O no hydrogen 3.094 N/A MET 50.A N LEU 75.A O no hydrogen 2.942 N/A ILE 51.A N MET 105.A O no hydrogen 2.815 N/A PHE 52.A N LEU 77.A O no hydrogen 2.823 N/A GLN 53.A N ARG 107.A O no hydrogen 2.825 N/A SER 56.A OG THR 59.A OG1 no hydrogen 3.354 N/A ARG 58.A NH1 SER 56.A OG no hydrogen 2.652 N/A THR 59.A OG1 SER 56.A OG no hydrogen 3.354 N/A ARG 60.A N SER 56.A O no hydrogen 2.892 N/A ARG 60.A NH1 GLU 64.A OE1 no hydrogen 2.828 N/A VAL 61.A N THR 57.A O no hydrogen 2.767 N/A SER 62.A N ARG 58.A O no hydrogen 3.115 N/A SER 62.A OG ARG 58.A O no hydrogen 2.873 N/A SER 62.A OG THR 59.A O no hydrogen 3.298 N/A PHE 63.A N THR 59.A O no hydrogen 3.052 N/A GLU 64.A N ARG 60.A O no hydrogen 3.043 N/A VAL 65.A N VAL 61.A O no hydrogen 2.852 N/A ALA 66.A N SER 62.A O no hydrogen 2.940 N/A MET 67.A N PHE 63.A O no hydrogen 3.079 N/A ALA 68.A N GLU 64.A O no hydrogen 3.188 N/A HIS 69.A N VAL 65.A O no hydrogen 2.938 N/A LEU 70.A N ALA 66.A O no hydrogen 3.292 N/A LEU 70.A N MET 67.A O no hydrogen 3.198 N/A GLY 71.A N ALA 68.A O no hydrogen 2.911 N/A GLY 72.A N MET 67.A O no hydrogen 2.845 N/A HIS 73.A N LYS 46.A O no hydrogen 2.750 N/A LEU 75.A N LEU 48.A O no hydrogen 2.803 N/A LEU 77.A N MET 50.A O no hydrogen 2.752 N/A ASN 78.A N ASP 81.A OD2 no hydrogen 3.480 N/A ALA 79.A N ASN 78.A OD1 no hydrogen 2.577 N/A ASP 81.A N ASN 78.A O no hydrogen 3.205 N/A LEU 82.A N ASN 78.A O no hydrogen 2.576 N/A ARG 86.A N GLN 83.A OE1 no hydrogen 2.687 N/A GLY 87.A N GLN 83.A OE1 no hydrogen 2.951 N/A ASP 92.A N THR 89.A O no hydrogen 2.655 N/A THR 93.A N THR 89.A O no hydrogen 3.272 N/A ALA 94.A N ILE 90.A O no hydrogen 3.159 N/A ARG 95.A N ALA 91.A O no hydrogen 3.038 N/A ARG 95.A NH2 ASP 92.A OD1 no hydrogen 2.966 N/A VAL 96.A N ASP 92.A O no hydrogen 3.090 N/A LEU 97.A N THR 93.A O no hydrogen 2.875 N/A SER 98.A N ALA 94.A O no hydrogen 2.946 N/A SER 98.A OG ALA 94.A O no hydrogen 2.851 N/A SER 98.A OG ARG 95.A O no hydrogen 2.829 N/A ARG 99.A N VAL 96.A O no hydrogen 2.838 N/A TYR 100.A N LEU 97.A O no hydrogen 2.805 N/A VAL 101.A N LEU 97.A O no hydrogen 3.039 N/A ASP 102.A N THR 47.A O no hydrogen 2.801 N/A ILE 104.A N PRO 124.A O no hydrogen 2.834 N/A MET 105.A N ALA 49.A O no hydrogen 2.897 N/A ALA 106.A N ILE 126.A O no hydrogen 2.917 N/A ARG 107.A N ILE 51.A O no hydrogen 2.761 N/A ARG 107.A NH2 VAL 108.A O no hydrogen 2.835 N/A VAL 108.A N LEU 129.A O no hydrogen 2.937 N/A HIS 111.A N ASP 131.A OD1 no hydrogen 3.281 N/A HIS 111.A ND1 SER 130.A OG no hydrogen 2.778 N/A LYS 112.A NZ ASP 116.A OD2 no hydrogen 3.393 N/A ASP 113.A N ASP 110.A O no hydrogen 2.709 N/A GLU 115.A N HIS 111.A O no hydrogen 3.101 N/A ASP 116.A N LYS 112.A O no hydrogen 2.834 N/A LEU 117.A N ASP 113.A O no hydrogen 2.783 N/A ALA 118.A N VAL 114.A O no hydrogen 3.123 N/A LYS 119.A N GLU 115.A O no hydrogen 3.238 N/A TYR 120.A N ASP 116.A O no hydrogen 3.371 N/A VAL 125.A N ASP 8.A OD1 no hydrogen 2.924 N/A ILE 126.A N ILE 104.A O no hydrogen 2.737 N/A ASN 127.A N LEU 9.A O no hydrogen 2.713 N/A ASN 127.A ND2 LEU 10.A O no hydrogen 2.892 N/A ASN 127.A ND2 SER 133.A O no hydrogen 3.435 N/A GLY 128.A N ALA 106.A O no hydrogen 2.971 N/A LEU 129.A N ASN 127.A OD1 no hydrogen 2.996 N/A SER 130.A N SER 133.A O no hydrogen 3.095 N/A SER 130.A OG HIS 111.A ND1 no hydrogen 2.778 N/A SER 130.A OG SER 133.A O no hydrogen 3.169 N/A ASP 131.A N TYR 109.A O no hydrogen 2.831 N/A PHE 132.A N SER 130.A OG no hydrogen 3.142 N/A SER 133.A N SER 130.A OG no hydrogen 3.021 N/A SER 133.A OG LEU 10.A O no hydrogen 3.088 N/A GLN 137.A N HIS 134.A O no hydrogen 3.105 N/A GLN 137.A NE2 GLN 137.A O no hydrogen 3.579 N/A GLN 137.A NE2 ASP 141.A OD1 no hydrogen 2.846 N/A ALA 138.A N HIS 134.A O no hydrogen 3.438 N/A LEU 139.A N PRO 135.A O no hydrogen 3.189 N/A ALA 140.A N CYS 136.A O no hydrogen 3.271 N/A ASP 141.A N GLN 137.A O no hydrogen 2.757 N/A TYR 142.A N ALA 138.A O no hydrogen 2.747 N/A TYR 142.A OH LEU 170.A O no hydrogen 2.702 N/A MET 143.A N LEU 139.A O no hydrogen 2.839 N/A THR 144.A N ALA 140.A O no hydrogen 2.837 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.799 N/A ILE 145.A N ASP 141.A O no hydrogen 2.948 N/A TRP 146.A N TYR 142.A O no hydrogen 2.960 N/A GLU 147.A N MET 143.A O no hydrogen 2.878 N/A LYS 148.A N THR 144.A O no hydrogen 2.980 N/A LYS 148.A NZ ASP 292.A OD2 no hydrogen 3.134 N/A LYS 149.A N ILE 145.A O no hydrogen 2.740 N/A LYS 149.A NZ ASP 263.A O no hydrogen 2.802 N/A GLY 150.A N TRP 146.A O no hydrogen 2.993 N/A LYS 153.A N THR 151.A OG1 no hydrogen 3.132 N/A VAL 155.A N ILE 152.A O no hydrogen 3.391 N/A LYS 156.A N ASP 224.A OD2 no hydrogen 3.040 N/A LYS 156.A NZ ALA 219.A O no hydrogen 3.338 N/A LYS 156.A NZ LYS 221.A O no hydrogen 2.539 N/A VAL 157.A N ASP 180.A O no hydrogen 3.196 N/A VAL 158.A N VAL 225.A O no hydrogen 3.150 N/A TYR 159.A N VAL 182.A O no hydrogen 2.906 N/A TYR 159.A OH ASP 162.A O no hydrogen 2.778 N/A VAL 160.A N TYR 227.A O no hydrogen 2.979 N/A GLY 161.A N ALA 184.A O no hydrogen 3.022 N/A GLY 163.A N TYR 189.A O no hydrogen 3.148 N/A ASN 165.A ND2 SER 130.A O no hydrogen 2.885 N/A VAL 166.A N ASN 165.A OD1 no hydrogen 2.647 N/A ALA 167.A N ASN 164.A OD1 no hydrogen 3.093 N/A HIS 168.A N ASN 164.A O no hydrogen 2.764 N/A HIS 168.A ND1 PHE 132.A O no hydrogen 2.612 N/A SER 169.A N ASN 165.A O no hydrogen 2.966 N/A LEU 170.A N VAL 166.A O no hydrogen 2.903 N/A MET 171.A N ALA 167.A O no hydrogen 3.096 N/A ILE 172.A N HIS 168.A O no hydrogen 2.946 N/A ALA 173.A N SER 169.A O no hydrogen 3.139 N/A GLY 174.A N LEU 170.A O no hydrogen 3.034 N/A THR 175.A N MET 171.A O no hydrogen 3.079 N/A THR 175.A OG1 ALA 199.A O no hydrogen 2.711 N/A LYS 176.A N ILE 172.A O no hydrogen 3.218 N/A LYS 176.A NZ GLN 13.A O no hydrogen 2.770 N/A LYS 176.A NZ TYR 15.A O no hydrogen 2.757 N/A LEU 177.A N ALA 173.A O no hydrogen 2.745 N/A ALA 179.A N GLY 174.A O no hydrogen 2.757 N/A ASP 180.A N VAL 155.A O no hydrogen 2.974 N/A VAL 181.A N SER 209.A O no hydrogen 2.827 N/A VAL 182.A N VAL 157.A O no hydrogen 3.141 N/A VAL 183.A N GLU 211.A O no hydrogen 2.897 N/A ALA 184.A N TYR 159.A O no hydrogen 2.932 N/A THR 185.A N LEU 213.A O no hydrogen 3.241 N/A TYR 189.A N PRO 186.A O no hydrogen 2.746 N/A ASP 192.A N HIS 168.A NE2 no hydrogen 3.201 N/A LYS 194.A N ASP 192.A OD1 no hydrogen 3.078 N/A ILE 196.A N ASP 192.A O no hydrogen 3.105 N/A LYS 197.A N GLU 193.A O no hydrogen 2.791 N/A TRP 198.A N LYS 194.A O no hydrogen 2.927 N/A ALA 199.A N VAL 195.A O no hydrogen 2.740 N/A GLU 200.A N ILE 196.A O no hydrogen 3.214 N/A GLU 200.A N LYS 197.A O no hydrogen 2.996 N/A GLN 201.A N LYS 197.A O no hydrogen 3.104 N/A ASN 202.A N TRP 198.A O no hydrogen 2.850 N/A ASN 202.A ND2 GLN 13.A OE1 no hydrogen 2.725 N/A ASN 202.A ND2 ILE 172.A O no hydrogen 3.569 N/A ALA 203.A N ALA 199.A O no hydrogen 2.955 N/A ALA 204.A N GLU 200.A O no hydrogen 3.283 N/A ALA 204.A N GLN 201.A O no hydrogen 3.209 N/A SER 206.A N ASN 202.A O no hydrogen 3.244 N/A SER 206.A N ALA 203.A O no hydrogen 3.241 N/A SER 206.A OG THR 175.A O no hydrogen 2.342 N/A SER 206.A OG ASN 202.A O no hydrogen 3.309 N/A GLY 208.A N ALA 203.A O no hydrogen 3.153 N/A LEU 213.A N VAL 183.A O no hydrogen 2.901 N/A HIS 214.A NE2 GLU 190.A OE1 no hydrogen 2.784 N/A LYS 218.A N ASP 215.A O no hydrogen 3.143 N/A LYS 218.A NZ LYS 218.A O no hydrogen 3.230 N/A ALA 219.A N ASP 215.A O no hydrogen 3.023 N/A VAL 220.A N PRO 216.A O no hydrogen 2.789 N/A LYS 221.A N LYS 218.A O no hydrogen 3.052 N/A LYS 221.A NZ ASP 222.A OD2 no hydrogen 3.559 N/A ASP 222.A N HIS 259.A O no hydrogen 3.085 N/A ALA 223.A N VAL 220.A O no hydrogen 3.435 N/A ASP 224.A N LYS 156.A O no hydrogen 3.048 N/A ILE 226.A N MET 265.A O no hydrogen 2.787 N/A TYR 227.A N VAL 158.A O no hydrogen 2.935 N/A TYR 227.A OH ASP 141.A OD2 no hydrogen 2.866 N/A THR 228.A N MET 267.A O no hydrogen 3.147 N/A THR 228.A OG1 VAL 160.A O no hydrogen 3.072 N/A THR 228.A OG1 ASP 229.A O no hydrogen 3.314 N/A GLN 236.A NE2 ALA 240.A O no hydrogen 2.773 N/A ALA 240.A N ALA 238.A O no hydrogen 2.799 N/A ARG 244.A N GLU 241.A O no hydrogen 2.700 N/A ARG 244.A NE GLU 241.A OE1 no hydrogen 3.130 N/A ARG 244.A NH2 GLU 241.A OE1 no hydrogen 3.479 N/A PHE 247.A N ARG 243.A O no hydrogen 2.733 N/A ARG 248.A N ARG 244.A O no hydrogen 2.674 N/A PHE 250.A N PHE 247.A O no hydrogen 2.607 N/A GLN 251.A N ARG 248.A O no hydrogen 3.069 N/A GLN 251.A NE2 GLU 276.A O no hydrogen 2.762 N/A VAL 252.A N GLU 277.A O no hydrogen 2.689 N/A ASN 253.A ND2 GLN 251.A OE1 no hydrogen 2.861 N/A LEU 256.A N ASN 253.A OD1 no hydrogen 3.131 N/A VAL 257.A N ASN 253.A O no hydrogen 2.971 N/A LYS 258.A N LYS 254.A O no hydrogen 3.284 N/A LYS 258.A N ASP 255.A O no hydrogen 2.976 N/A HIS 259.A N LEU 256.A O no hydrogen 2.923 N/A HIS 259.A ND1 LEU 256.A O no hydrogen 2.865 N/A ALA 260.A N VAL 257.A O no hydrogen 2.855 N/A LYS 261.A N ALA 223.A O no hydrogen 2.979 N/A LYS 261.A NZ ASP 222.A O no hydrogen 2.959 N/A LYS 261.A NZ ASP 224.A OD1 no hydrogen 3.152 N/A TYR 264.A N LYS 261.A O no hydrogen 3.144 N/A MET 265.A N ASP 224.A O no hydrogen 2.735 N/A PHE 266.A N ASN 287.A O no hydrogen 2.926 N/A MET 267.A N ILE 226.A O no hydrogen 2.908 N/A CYS 269.A SG ASP 229.A OD1 no hydrogen 3.105 N/A CYS 269.A SG LEU 270.A O no hydrogen 3.691 N/A HIS 273.A N GLU 277.A OE2 no hydrogen 2.723 N/A HIS 273.A ND1 ALA 272.A O no hydrogen 3.014 N/A ARG 274.A NH1 ASP 284.A OD1 no hydrogen 3.112 N/A ARG 274.A NH1 ASP 284.A OD2 no hydrogen 2.975 N/A ARG 274.A NH2 ASP 284.A OD1 no hydrogen 2.898 N/A GLY 275.A N VAL 278.A O no hydrogen 2.721 N/A GLU 276.A N HIS 273.A O no hydrogen 2.835 N/A GLU 277.A N GLU 277.A OE1 no hydrogen 2.771 N/A VAL 282.A N THR 279.A O no hydrogen 2.944 N/A ILE 283.A N THR 279.A O no hydrogen 3.335 N/A ASP 284.A N ASP 280.A O no hydrogen 3.043 N/A SER 285.A N VAL 282.A O no hydrogen 2.766 N/A SER 285.A OG VAL 282.A O no hydrogen 2.843 N/A ASN 287.A N SER 285.A OG no hydrogen 3.128 N/A ASN 287.A ND2 PRO 262.A O no hydrogen 3.278 N/A ASN 287.A ND2 TYR 264.A O no hydrogen 3.035 N/A SER 288.A N SER 285.A O no hydrogen 2.732 N/A SER 288.A OG ILE 283.A O no hydrogen 2.649 N/A VAL 289.A N PHE 266.A O no hydrogen 3.082 N/A GLN 293.A N VAL 289.A O no hydrogen 3.061 N/A ALA 294.A N VAL 290.A O no hydrogen 2.963 N/A GLU 295.A N TRP 291.A O no hydrogen 2.742 N/A ASN 296.A N ASP 292.A O no hydrogen 2.903 N/A ASN 296.A ND2 THR 144.A OG1 no hydrogen 3.048 N/A ASN 296.A ND2 GLU 147.A OE1 no hydrogen 3.137 N/A ARG 297.A N ALA 294.A O no hydrogen 3.040 N/A ARG 297.A NE GLN 137.A OE1 no hydrogen 3.276 N/A ARG 297.A NH1 GLN 301.A OE1 no hydrogen 2.523 N/A ARG 297.A NH2 THR 59.A OG1 no hydrogen 2.837 N/A LEU 298.A N GLU 295.A O no hydrogen 2.801 N/A HIS 299.A NE2 GLU 295.A OE2 no hydrogen 2.825 N/A ALA 300.A N ASN 296.A O no hydrogen 3.017 N/A GLN 301.A N ARG 297.A O no hydrogen 3.163 N/A GLN 301.A NE2 SER 62.A OG no hydrogen 2.667 N/A LYS 302.A N LEU 298.A O no hydrogen 2.849 N/A ALA 303.A N HIS 299.A O no hydrogen 3.030 N/A VAL 304.A N ALA 300.A O no hydrogen 3.109 N/A LEU 305.A N GLN 301.A O no hydrogen 3.164 N/A ALA 306.A N LYS 302.A O no hydrogen 3.198 N/A LEU 307.A N ALA 303.A O no hydrogen 2.871 N/A VAL 308.A N VAL 304.A O no hydrogen 2.805 N/A MET 309.A N LEU 305.A O no hydrogen 2.802 N/A GLY 310.A N ALA 306.A O no hydrogen 2.657 N/A ILE 312.A N GLY 310.A O no hydrogen 2.751 N/A