Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a5i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG.A ASN 214.A OD1 no hydrogen 3.317 N/A GLY 2.A N ASN 214.A OD1 no hydrogen 3.097 N/A ARG 4.A N GLN 299.A OE1 no hydrogen 2.945 N/A LYS 5.A NZ GLU 288.A OE1 no hydrogen 2.960 N/A PHE 8.A N SER 113.A OG no hydrogen 2.894 N/A SER 10.A OG GLU 14.A OE1 no hydrogen 2.396 N/A VAL 13.A N SER 10.A O no hydrogen 2.997 N/A GLU 14.A N SER 10.A O no hydrogen 2.958 N/A GLY 15.A N GLY 11.A O no hydrogen 3.330 N/A CYS 16.A N VAL 13.A O no hydrogen 2.794 N/A CYS 16.A SG LYS 12.A O no hydrogen 3.611 N/A MET 17.A N GLU 14.A O no hydrogen 3.301 N/A VAL 18.A N GLY 29.A O no hydrogen 2.870 N/A GLN 19.A N GLN 69.A O no hydrogen 3.276 N/A VAL 20.A N LEU 27.A O no hydrogen 2.988 N/A THR 21.A N LEU 67.A O no hydrogen 3.020 N/A THR 21.A OG1 THR 26.A OG1 no hydrogen 3.231 N/A CYS 22.A N THR 25.A O no hydrogen 2.893 N/A CYS 22.A SG SER 65.A O no hydrogen 3.622 N/A THR 25.A N CYS 22.A O no hydrogen 3.111 N/A THR 26.A OG1 THR 21.A OG1 no hydrogen 3.231 N/A LEU 27.A N VAL 20.A O no hydrogen 2.874 N/A ASN 28.A N CYS 145.A O no hydrogen 3.292 N/A ASN 28.A ND2 CYS 117.A O no hydrogen 2.851 N/A ASN 28.A ND2 GLY 143.A O no hydrogen 2.804 N/A ASN 28.A ND2 CYS 145.A O no hydrogen 3.040 N/A GLY 29.A N VAL 18.A O no hydrogen 2.608 N/A LEU 30.A N TYR 37.A O no hydrogen 3.158 N/A TRP 31.A N CYS 16.A O no hydrogen 2.844 N/A TRP 31.A NE1 THR 93.A O no hydrogen 3.312 N/A LEU 32.A N THR 35.A O no hydrogen 3.128 N/A ASP 33.A N THR 98.A OG1 no hydrogen 2.764 N/A THR 35.A N LEU 32.A O no hydrogen 3.086 N/A THR 35.A OG1 ASP 34.A OD2 no hydrogen 3.317 N/A VAL 36.A N LEU 89.A O no hydrogen 2.788 N/A TYR 37.A N LEU 30.A O no hydrogen 2.821 N/A CYS 38.A N LEU 87.A O no hydrogen 3.058 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.717 N/A ARG 40.A N CYS 85.A O no hydrogen 2.931 N/A ARG 40.A NE ASP 187.A OD1 no hydrogen 3.398 N/A ARG 40.A NE ASP 187.A OD2 no hydrogen 2.585 N/A ARG 40.A NH2 ASP 187.A OD1 no hydrogen 2.871 N/A VAL 42.A N PRO 39.A O no hydrogen 3.162 N/A ILE 43.A N ARG 40.A O no hydrogen 2.890 N/A CYS 44.A N HIS 41.A O no hydrogen 3.291 N/A CYS 44.A SG TYR 54.A OH no hydrogen 3.465 N/A THR 45.A OG1 GLU 47.A OE1 no hydrogen 3.294 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.968 N/A ASP 48.A N THR 45.A O no hydrogen 3.071 N/A ASN 51.A N ASP 48.A OD2 no hydrogen 3.154 N/A TYR 54.A OH ASP 187.A O no hydrogen 2.731 N/A ASP 56.A N ASN 53.A OD1 no hydrogen 2.901 N/A LEU 57.A N ASN 53.A O no hydrogen 2.736 N/A LEU 58.A N TYR 54.A O no hydrogen 2.790 N/A ILE 59.A N GLU 55.A O no hydrogen 3.233 N/A ARG 60.A NE ASP 56.A O no hydrogen 3.098 N/A ARG 60.A NE ASP 56.A OD2 no hydrogen 3.184 N/A ARG 60.A NH1 ASP 56.A OD1 no hydrogen 3.510 N/A ARG 60.A NH1 ASP 56.A OD2 no hydrogen 2.953 N/A LYS 61.A N LEU 58.A O no hydrogen 2.555 N/A SER 62.A N SER 65.A OG no hydrogen 2.828 N/A SER 65.A N SER 62.A O no hydrogen 3.044 N/A PHE 66.A N ASN 63.A O no hydrogen 3.391 N/A LEU 67.A N THR 21.A O no hydrogen 2.853 N/A GLN 69.A N GLN 19.A O no hydrogen 2.767 N/A ALA 70.A N VAL 73.A O no hydrogen 2.631 N/A VAL 73.A N ALA 70.A O no hydrogen 2.778 N/A GLN 74.A NE2 GLN 69.A OE1 no hydrogen 2.383 N/A LEU 75.A N VAL 68.A O no hydrogen 2.842 N/A ARG 76.A N ASP 92.A OD2 no hydrogen 2.780 N/A ILE 78.A N LYS 90.A O no hydrogen 2.587 N/A HIS 80.A ND1 ASN 63.A OD1 no hydrogen 2.734 N/A SER 81.A N ARG 88.A O no hydrogen 2.982 N/A GLN 83.A N LEU 86.A O no hydrogen 2.709 N/A ASN 84.A ND2 GLU 178.A O no hydrogen 2.840 N/A CYS 85.A N GLY 179.A O no hydrogen 2.894 N/A CYS 85.A SG ASP 187.A OD1 no hydrogen 3.688 N/A LEU 86.A N GLN 83.A O no hydrogen 2.878 N/A LEU 87.A N CYS 38.A O no hydrogen 2.854 N/A ARG 88.A N SER 81.A O no hydrogen 2.957 N/A ARG 88.A NE.A SER 81.A OG no hydrogen 3.351 N/A ARG 88.A NH1.A SER 81.A OG no hydrogen 3.340 N/A LEU 89.A N VAL 36.A O no hydrogen 2.846 N/A LYS 90.A N GLY 79.A O no hydrogen 2.843 N/A LYS 90.A NZ SER 81.A OG no hydrogen 3.362 N/A LYS 90.A NZ ARG 88.A O no hydrogen 3.333 N/A VAL 91.A N ASP 34.A O no hydrogen 3.193 N/A ASN 95.A N ASP 33.A O no hydrogen 2.722 N/A ASN 95.A ND2 GLY 15.A O no hydrogen 3.076 N/A ASN 95.A ND2 TRP 31.A O no hydrogen 2.710 N/A LYS 97.A N ASN 95.A OD1 no hydrogen 2.962 N/A THR 98.A N ASN 95.A O no hydrogen 3.136 N/A THR 98.A OG1 ASN 95.A O no hydrogen 2.976 N/A TYR 101.A OH ASP 33.A OD2 no hydrogen 2.796 N/A LYS 102.A N VAL 157.A O no hydrogen 2.791 N/A VAL 104.A N PHE 159.A O no hydrogen 2.925 N/A ARG 105.A NH1 ASP 176.A OD2 no hydrogen 2.588 N/A ARG 105.A NH1 LYS 180.A O no hydrogen 3.110 N/A ARG 105.A NH1 PHE 181.A O no hydrogen 3.348 N/A ARG 105.A NH2 PHE 181.A O no hydrogen 2.746 N/A ILE 106.A N TYR 182.A OH no hydrogen 3.159 N/A GLN 107.A N GLN 110.A OE1 no hydrogen 2.862 N/A GLY 109.A N MET 130.A O no hydrogen 2.781 N/A GLN 110.A N GLN 107.A O no hydrogen 2.972 N/A THR 111.A OG1 ASP 295.A OD1 no hydrogen 3.309 N/A THR 111.A OG1 ASP 295.A OD2 no hydrogen 2.474 N/A PHE 112.A N CYS 128.A O.A no hydrogen 2.844 N/A PHE 112.A N CYS 128.A O.B no hydrogen 2.825 N/A SER 113.A N PHE 150.A O no hydrogen 3.080 N/A SER 113.A OG GLN 127.A OE1.A no hydrogen 2.775 N/A VAL 114.A N TYR 126.A O no hydrogen 2.790 N/A LEU 115.A N VAL 148.A O no hydrogen 2.933 N/A ALA 116.A N GLY 124.A O no hydrogen 2.748 N/A CYS 117.A N SER 147.A OG no hydrogen 2.929 N/A CYS 117.A SG LEU 115.A O no hydrogen 3.557 N/A TYR 118.A N SER 121.A O no hydrogen 2.911 N/A GLY 120.A N ASN 28.A OD1 no hydrogen 2.544 N/A SER 121.A N TYR 118.A O no hydrogen 2.770 N/A SER 123.A N ALA 116.A O no hydrogen 2.656 N/A SER 123.A OG ALA 116.A O no hydrogen 3.419 N/A GLY 124.A N ALA 116.A O no hydrogen 3.316 N/A TYR 126.A N VAL 114.A O no hydrogen 3.110 N/A TYR 126.A OH SER 139.A O no hydrogen 3.231 N/A CYS 128.A N PHE 112.A O no hydrogen 2.807 N/A CYS 128.A SG.A PHE 112.A O no hydrogen 4.008 N/A ALA 129.A N GLU 290.A OE1 no hydrogen 3.291 N/A MET 130.A N GLN 110.A O no hydrogen 2.838 N/A ARG 131.A N THR 135.A O no hydrogen 2.931 N/A ARG 131.A NE ASP 197.A OD1 no hydrogen 2.836 N/A ARG 131.A NH1 THR 198.A O no hydrogen 3.172 N/A ARG 131.A NH1 ASP 289.A OD1 no hydrogen 2.771 N/A ARG 131.A NH2 ASP 289.A OD2 no hydrogen 3.047 N/A ARG 131.A NH2 GLU 290.A OE2 no hydrogen 2.748 N/A ASN 133.A N ASP 197.A OD2 no hydrogen 3.167 N/A ASN 133.A ND2 GLY 195.A O no hydrogen 2.816 N/A HIS 134.A N ARG 131.A O no hydrogen 2.889 N/A THR 135.A N ASN 133.A OD1 no hydrogen 3.285 N/A THR 135.A OG1 ASN 133.A OD1 no hydrogen 2.825 N/A ILE 136.A N HIS 172.A O no hydrogen 2.947 N/A GLY 138.A N HIS 172.A ND1 no hydrogen 3.053 N/A SER 139.A N TYR 126.A OH no hydrogen 2.900 N/A LEU 141.A N TYR 118.A OH no hydrogen 2.870 N/A SER 144.A N LEU 141.A O no hydrogen 3.236 N/A SER 144.A OG LEU 141.A O no hydrogen 2.626 N/A GLY 146.A N HIS 163.A O no hydrogen 2.859 N/A SER 147.A N SER 144.A O no hydrogen 2.925 N/A SER 147.A OG SER 144.A O no hydrogen 2.774 N/A GLY 149.A N TYR 161.A O no hydrogen 2.848 N/A PHE 150.A N SER 113.A O no hydrogen 2.702 N/A ASN 151.A N SER 158.A O no hydrogen 2.985 N/A ASN 151.A ND2 THR 111.A O no hydrogen 2.998 N/A ASP 153.A N CYS 156.A O no hydrogen 2.976 N/A ASP 155.A N.B ASP 155.A OD1.B no hydrogen 2.093 N/A CYS 156.A N ASP 153.A O no hydrogen 2.854 N/A VAL 157.A N LYS 100.A O no hydrogen 2.942 N/A SER 158.A N ASN 151.A O no hydrogen 2.929 N/A PHE 159.A N LYS 102.A O no hydrogen 2.886 N/A CYS 160.A N GLY 149.A O no hydrogen 3.096 N/A TYR 161.A OH HIS 163.A ND1 no hydrogen 2.937 N/A MET 162.A N THR 175.A O no hydrogen 2.616 N/A HIS 163.A N SER 147.A O no hydrogen 2.756 N/A HIS 163.A ND1 TYR 161.A OH no hydrogen 2.937 N/A HIS 164.A N ALA 173.A O no hydrogen 3.234 N/A MET 165.A N ALA 173.A O no hydrogen 2.890 N/A LEU 167.A N VAL 171.A O no hydrogen 2.923 N/A GLY 170.A N LEU 167.A O no hydrogen 2.839 N/A HIS 172.A N ILE 136.A O no hydrogen 2.890 N/A HIS 172.A NE2 GLU 166.A OE2 no hydrogen 2.999 N/A ALA 173.A N MET 165.A O no hydrogen 2.915 N/A THR 175.A N MET 162.A O no hydrogen 2.999 N/A THR 175.A OG1 HIS 164.A NE2 no hydrogen 3.137 N/A THR 175.A OG1 ASP 176.A O no hydrogen 2.814 N/A ASP 176.A N LYS 180.A O no hydrogen 3.192 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 2.665 N/A GLY 179.A N ASP 176.A O no hydrogen 3.057 N/A LYS 180.A N ASP 176.A OD1 no hydrogen 3.235 N/A TYR 182.A N GLY 174.A O no hydrogen 2.958 N/A TYR 182.A OH CYS 160.A O no hydrogen 2.534 N/A VAL 186.A N GLN 192.A OE1 no hydrogen 2.818 N/A GLN 189.A N MET 49.A O no hydrogen 2.836 N/A GLN 192.A NE2 VAL 186.A O no hydrogen 2.895 N/A GLN 192.A NE2 ARG 188.A O no hydrogen 3.028 N/A THR 198.A OG1.B ASN 238.A O no hydrogen 2.529 N/A THR 198.A OG1.B ASN 238.A OD1 no hydrogen 3.122 N/A THR 199.A N ASN 238.A O no hydrogen 2.909 N/A ILE 200.A N ASP 289.A OD1 no hydrogen 2.886 N/A THR 201.A OG1 THR 199.A O no hydrogen 3.557 N/A THR 201.A OG1 GLU 240.A O no hydrogen 2.745 N/A ASN 203.A ND2 GLY 109.A O no hydrogen 3.445 N/A ASN 203.A ND2 ASP 289.A O no hydrogen 2.560 N/A VAL 204.A N ILE 200.A O no hydrogen 3.077 N/A LEU 205.A N THR 201.A O no hydrogen 3.095 N/A ALA 206.A N LEU 202.A O no hydrogen 3.043 N/A TRP 207.A N ASN 203.A O no hydrogen 3.085 N/A LEU 208.A N VAL 204.A O no hydrogen 3.128 N/A LEU 208.A N LEU 205.A O no hydrogen 2.991 N/A TYR 209.A N LEU 205.A O no hydrogen 3.028 N/A TYR 209.A OH ILE 259.A O no hydrogen 2.924 N/A ALA 210.A N ALA 206.A O no hydrogen 2.880 N/A ALA 211.A N TRP 207.A O no hydrogen 3.090 N/A VAL 212.A N LEU 208.A O no hydrogen 3.053 N/A ILE 213.A N TYR 209.A O no hydrogen 2.839 N/A ASN 214.A N ALA 210.A O no hydrogen 3.013 N/A GLY 215.A N VAL 212.A O no hydrogen 2.865 N/A ASP 216.A N ALA 211.A O no hydrogen 2.874 N/A TRP 218.A N ASP 216.A OD1 no hydrogen 2.730 N/A TRP 218.A NE1 THR 280.A O no hydrogen 2.945 N/A LEU 220.A N ARG 217.A O no hydrogen 3.014 N/A ASN 221.A ND2 ALA 266.A O no hydrogen 3.465 N/A PHE 223.A N ASN 221.A OD1 no hydrogen 2.924 N/A THR 224.A OG1 ASP 263.A OD1 no hydrogen 3.167 N/A THR 225.A OG1 THR 226.A O no hydrogen 3.062 N/A PHE 230.A N THR 226.A O no hydrogen 2.883 N/A ASN 231.A N LEU 227.A O no hydrogen 2.946 N/A ASN 231.A ND2 LEU 242.A O no hydrogen 2.802 N/A LEU 232.A N ASN 228.A O no hydrogen 3.175 N/A VAL 233.A N ASP 229.A O no hydrogen 3.401 N/A ALA 234.A N PHE 230.A O no hydrogen 2.851 N/A MET 235.A N ASN 231.A O no hydrogen 3.040 N/A LYS 236.A N LEU 232.A O no hydrogen 3.445 N/A TYR 237.A N ALA 234.A O no hydrogen 3.004 N/A ASN 238.A N MET 235.A O.A no hydrogen 2.884 N/A ASN 238.A N MET 235.A O.B no hydrogen 3.175 N/A ASN 238.A ND2 ASP 197.A O no hydrogen 3.149 N/A TYR 239.A N ALA 234.A O no hydrogen 2.967 N/A GLU 240.A N THR 199.A O no hydrogen 3.033 N/A LEU 242.A N ASN 231.A OD1 no hydrogen 2.811 N/A GLN 244.A NE2 ASP 248.A OD1 no hydrogen 2.825 N/A HIS 246.A N THR 243.A OG1 no hydrogen 3.223 N/A VAL 247.A N THR 243.A O no hydrogen 3.080 N/A ASP 248.A N GLN 244.A O no hydrogen 2.854 N/A ILE 249.A N ASP 245.A O no hydrogen 2.876 N/A LEU 250.A N HIS 246.A O no hydrogen 3.261 N/A LEU 250.A N VAL 247.A O no hydrogen 3.179 N/A GLY 251.A N ASP 248.A O no hydrogen 3.010 N/A SER 254.A N LEU 250.A O no hydrogen 2.963 N/A SER 254.A OG ILE 259.A O no hydrogen 2.524 N/A ALA 255.A N GLY 251.A O no hydrogen 2.788 N/A ALA 255.A N PRO 252.A O no hydrogen 3.187 N/A GLN 256.A N PRO 252.A O no hydrogen 2.957 N/A GLN 256.A NE2 SER 301.A O no hydrogen 3.135 N/A GLN 256.A NE2 THR 304.A OG1 no hydrogen 3.240 N/A THR 257.A N LEU 253.A O no hydrogen 3.042 N/A THR 257.A OG1 LEU 253.A O no hydrogen 2.959 N/A THR 257.A OG1 SER 254.A O no hydrogen 3.506 N/A GLY 258.A N ALA 255.A O no hydrogen 3.349 N/A MET 264.A N ALA 260.A O no hydrogen 2.814 N/A CYS 265.A N VAL 261.A O no hydrogen 2.909 N/A CYS 265.A SG VAL 261.A O no hydrogen 3.500 N/A ALA 266.A N LEU 262.A O no hydrogen 3.054 N/A ALA 267.A N ASP 263.A O no hydrogen 3.025 N/A LEU 268.A N MET 264.A O no hydrogen 2.861 N/A LYS 269.A N CYS 265.A O no hydrogen 2.666 N/A LYS 269.A NZ THR 225.A OG1 no hydrogen 2.726 N/A GLU 270.A N ALA 267.A O no hydrogen 3.205 N/A LEU 271.A N ALA 267.A O no hydrogen 3.085 N/A LEU 272.A N LEU 268.A O no hydrogen 2.918 N/A GLN 273.A N LYS 269.A O no hydrogen 3.250 N/A ASN 274.A N GLU 270.A O no hydrogen 2.665 N/A GLY 275.A N LEU 271.A O no hydrogen 2.812 N/A ASN 277.A ND2 ASN 274.A O no hydrogen 3.251 N/A ILE 281.A N SER 284.A O no hydrogen 2.685 N/A SER 284.A N ILE 281.A O no hydrogen 2.766 N/A SER 284.A OG THR 285.A O no hydrogen 3.214 N/A SER 284.A OG ILE 286.A O no hydrogen 3.548 N/A GLU 290.A N GLU 288.A OE1 no hydrogen 3.205 N/A THR 292.A N ASP 295.A OD2 no hydrogen 3.072 N/A ASP 295.A N THR 292.A OG1 no hydrogen 2.904 N/A VAL 296.A N THR 292.A O no hydrogen 2.877 N/A VAL 297.A N PRO 293.A O no hydrogen 2.947 N/A ARG 298.A N PHE 294.A O no hydrogen 2.972 N/A ARG 298.A NH1 MET 6.A O no hydrogen 3.557 N/A GLN 299.A N ASP 295.A O no hydrogen 3.261 N/A GLN 299.A NE2 ARG 4.A O no hydrogen 2.872 N/A CYS 300.A N VAL 296.A O no hydrogen 2.681 N/A SER 301.A OG VAL 303.A O no hydrogen 3.263 N/A VAL 303.A N SER 301.A OG no hydrogen 3.035 N/A THR 304.A OG1 GLN 256.A O no hydrogen 2.910 N/A PHE 305.A N ILE 213.A O no hydrogen 3.179 N/A