Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a5a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASN 214.A OD1 no hydrogen 3.489 N/A GLY 2.A N ASN 214.A OD1 no hydrogen 3.421 N/A ARG 4.A N GLN 299.A OE1 no hydrogen 2.827 N/A LYS 5.A NZ GLU 288.A OE1 no hydrogen 2.848 N/A PHE 8.A N SER 113.A OG no hydrogen 2.988 N/A SER 10.A OG GLU 14.A OE1 no hydrogen 2.501 N/A VAL 13.A N SER 10.A O no hydrogen 3.040 N/A GLU 14.A N SER 10.A O no hydrogen 2.821 N/A GLY 15.A N GLY 11.A O no hydrogen 3.280 N/A CYS 16.A N VAL 13.A O no hydrogen 2.702 N/A CYS 16.A SG LYS 12.A O no hydrogen 3.691 N/A CYS 16.A SG TRP 31.A O no hydrogen 3.862 N/A MET 17.A N GLU 14.A O no hydrogen 3.307 N/A VAL 18.A N GLY 29.A O no hydrogen 2.922 N/A GLN 19.A N GLN 69.A O no hydrogen 2.964 N/A GLN 19.A NE2 ASN 119.A OD1 no hydrogen 3.480 N/A VAL 20.A N LEU 27.A O no hydrogen 2.825 N/A THR 21.A N LEU 67.A O no hydrogen 3.037 N/A THR 21.A OG1 THR 26.A OG1 no hydrogen 2.708 N/A CYS 22.A N THR 25.A O no hydrogen 2.934 N/A CYS 22.A SG SER 65.A O no hydrogen 3.986 N/A THR 25.A N CYS 22.A O no hydrogen 2.961 N/A THR 26.A OG1 THR 21.A OG1 no hydrogen 2.708 N/A LEU 27.A N VAL 20.A O no hydrogen 2.754 N/A ASN 28.A N CYS 145.A O no hydrogen 3.191 N/A ASN 28.A ND2 CYS 117.A O no hydrogen 2.809 N/A ASN 28.A ND2 GLY 143.A O no hydrogen 2.948 N/A ASN 28.A ND2 CYS 145.A O no hydrogen 3.035 N/A GLY 29.A N VAL 18.A O no hydrogen 2.752 N/A LEU 30.A N TYR 37.A O no hydrogen 2.812 N/A TRP 31.A N CYS 16.A O no hydrogen 2.598 N/A TRP 31.A NE1 THR 93.A O no hydrogen 2.985 N/A LEU 32.A N THR 35.A O no hydrogen 3.132 N/A ASP 33.A N THR 98.A OG1 no hydrogen 3.025 N/A THR 35.A N LEU 32.A O no hydrogen 3.027 N/A THR 35.A OG1 ASP 34.A OD2 no hydrogen 3.360 N/A VAL 36.A N LEU 89.A O no hydrogen 2.957 N/A TYR 37.A N LEU 30.A O no hydrogen 2.663 N/A CYS 38.A N LEU 87.A O no hydrogen 3.296 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.886 N/A ARG 40.A N CYS 85.A O no hydrogen 3.200 N/A ARG 40.A NE ASP 187.A OD1 no hydrogen 3.399 N/A ARG 40.A NE ASP 187.A OD2 no hydrogen 2.609 N/A ARG 40.A NH2 ASP 187.A OD1 no hydrogen 2.910 N/A VAL 42.A N PRO 39.A O no hydrogen 2.980 N/A ILE 43.A N ARG 40.A O no hydrogen 3.042 N/A CYS 44.A N HIS 41.A O no hydrogen 2.905 N/A CYS 44.A SG TYR 54.A OH no hydrogen 3.453 N/A THR 45.A N ASP 48.A OD1.A no hydrogen 3.270 N/A THR 45.A N ASP 48.A OD2.A no hydrogen 3.153 N/A ASN 51.A N ASP 48.A O.B no hydrogen 2.795 N/A TYR 54.A OH ASP 187.A O no hydrogen 2.511 N/A ASP 56.A N ASN 53.A OD1 no hydrogen 2.974 N/A LEU 57.A N ASN 53.A O no hydrogen 2.896 N/A LEU 58.A N TYR 54.A O no hydrogen 2.856 N/A ILE 59.A N GLU 55.A O no hydrogen 3.263 N/A ARG 60.A NE ASP 56.A OD2 no hydrogen 3.272 N/A ARG 60.A NH1 ASP 56.A OD2 no hydrogen 3.158 N/A LYS 61.A N LEU 58.A O no hydrogen 3.090 N/A HIS 64.A N HIS 64.A ND1 no hydrogen 2.780 N/A SER 65.A N SER 62.A O no hydrogen 3.108 N/A SER 65.A OG SER 62.A O no hydrogen 2.564 N/A PHE 66.A N ASN 63.A O no hydrogen 3.040 N/A LEU 67.A N THR 21.A O no hydrogen 3.071 N/A GLN 69.A N GLN 19.A O no hydrogen 2.774 N/A ALA 70.A N VAL 73.A O no hydrogen 2.989 N/A VAL 73.A N ALA 70.A O no hydrogen 2.816 N/A GLN 74.A NE2 GLN 69.A OE1 no hydrogen 2.438 N/A LEU 75.A N VAL 68.A O no hydrogen 2.507 N/A ILE 78.A N LYS 90.A O no hydrogen 2.839 N/A GLY 79.A N LYS 90.A O no hydrogen 3.408 N/A HIS 80.A ND1 ASN 63.A OD1 no hydrogen 2.555 N/A SER 81.A N ARG 88.A O no hydrogen 3.049 N/A GLN 83.A N LEU 86.A O no hydrogen 2.798 N/A ASN 84.A ND2 GLU 178.A O no hydrogen 3.232 N/A CYS 85.A N GLY 179.A O no hydrogen 2.868 N/A CYS 85.A SG ASP 187.A OD2 no hydrogen 3.775 N/A LEU 86.A N GLN 83.A O no hydrogen 2.848 N/A LEU 87.A N CYS 38.A O no hydrogen 2.828 N/A ARG 88.A N SER 81.A O no hydrogen 2.951 N/A LEU 89.A N VAL 36.A O no hydrogen 3.145 N/A LYS 90.A N GLY 79.A O no hydrogen 2.672 N/A LYS 90.A NZ.A SER 81.A OG no hydrogen 3.306 N/A LYS 90.A NZ.A ARG 88.A O no hydrogen 3.282 N/A VAL 91.A N ASP 34.A O no hydrogen 3.103 N/A ASP 92.A N ARG 76.A O no hydrogen 2.864 N/A THR 93.A OG1 ASP 92.A OD1 no hydrogen 2.980 N/A ASN 95.A N ASP 33.A O no hydrogen 2.930 N/A ASN 95.A ND2 GLY 15.A O no hydrogen 2.930 N/A ASN 95.A ND2 TRP 31.A O no hydrogen 2.909 N/A LYS 97.A N ASN 95.A OD1 no hydrogen 2.618 N/A THR 98.A N ASN 95.A O no hydrogen 3.271 N/A THR 98.A OG1 ASN 95.A O no hydrogen 2.607 N/A TYR 101.A OH ASP 33.A OD2 no hydrogen 2.875 N/A LYS 102.A N VAL 157.A O no hydrogen 2.993 N/A VAL 104.A N PHE 159.A O no hydrogen 3.096 N/A ARG 105.A NH1 ASP 176.A OD2 no hydrogen 2.644 N/A ARG 105.A NH1 LYS 180.A O no hydrogen 3.044 N/A ARG 105.A NH1 PHE 181.A O no hydrogen 3.314 N/A ARG 105.A NH2 PHE 181.A O no hydrogen 2.752 N/A ILE 106.A N TYR 182.A OH no hydrogen 3.200 N/A GLN 107.A N GLN 110.A OE1 no hydrogen 3.096 N/A GLY 109.A N MET 130.A O no hydrogen 2.901 N/A GLN 110.A N GLN 107.A O no hydrogen 2.934 N/A THR 111.A OG1 ASP 295.A OD1 no hydrogen 3.297 N/A THR 111.A OG1 ASP 295.A OD2 no hydrogen 2.848 N/A PHE 112.A N CYS 128.A O.A no hydrogen 2.892 N/A PHE 112.A N CYS 128.A O.B no hydrogen 2.706 N/A SER 113.A N PHE 150.A O no hydrogen 3.095 N/A SER 113.A OG GLN 127.A OE1 no hydrogen 2.849 N/A VAL 114.A N TYR 126.A O no hydrogen 2.661 N/A LEU 115.A N VAL 148.A O no hydrogen 3.211 N/A ALA 116.A N GLY 124.A O no hydrogen 2.889 N/A CYS 117.A N SER 147.A OG no hydrogen 3.010 N/A CYS 117.A SG LEU 115.A O no hydrogen 3.874 N/A TYR 118.A N SER 121.A O no hydrogen 3.300 N/A GLY 120.A N ASN 28.A OD1 no hydrogen 2.552 N/A SER 121.A N TYR 118.A O no hydrogen 2.839 N/A SER 123.A N ALA 116.A O no hydrogen 2.718 N/A GLY 124.A N ALA 116.A O no hydrogen 3.361 N/A TYR 126.A N VAL 114.A O no hydrogen 3.050 N/A TYR 126.A OH SER 139.A O no hydrogen 3.307 N/A CYS 128.A N PHE 112.A O no hydrogen 2.875 N/A CYS 128.A SG.A PHE 112.A O no hydrogen 3.987 N/A CYS 128.A SG.B LYS 137.A O no hydrogen 3.689 N/A MET 130.A N GLN 110.A O no hydrogen 2.974 N/A ARG 131.A N THR 135.A O no hydrogen 2.812 N/A ARG 131.A NE ASP 197.A OD1 no hydrogen 2.794 N/A ARG 131.A NH1 ASP 197.A OD1 no hydrogen 3.447 N/A ARG 131.A NH1 THR 198.A O no hydrogen 3.191 N/A ARG 131.A NH1 ASP 289.A OD1 no hydrogen 2.892 N/A ARG 131.A NH2 ASP 289.A OD1 no hydrogen 3.436 N/A ARG 131.A NH2 ASP 289.A OD2 no hydrogen 2.968 N/A ARG 131.A NH2 GLU 290.A OE2 no hydrogen 3.032 N/A ASN 133.A N ASP 197.A OD2 no hydrogen 3.087 N/A ASN 133.A ND2 GLY 195.A O no hydrogen 2.738 N/A HIS 134.A N ARG 131.A O no hydrogen 2.873 N/A THR 135.A OG1 ASN 133.A OD1 no hydrogen 2.995 N/A ILE 136.A N HIS 172.A O no hydrogen 3.009 N/A GLY 138.A N HIS 172.A ND1 no hydrogen 2.946 N/A SER 139.A N TYR 126.A OH no hydrogen 2.883 N/A LEU 141.A N TYR 118.A OH no hydrogen 2.962 N/A SER 144.A N LEU 141.A O no hydrogen 3.212 N/A SER 144.A OG LEU 141.A O no hydrogen 2.608 N/A CYS 145.A SG HIS 41.A NE2 no hydrogen 3.664 N/A CYS 145.A SG HIS 164.A O no hydrogen 3.161 N/A GLY 146.A N HIS 163.A O no hydrogen 2.801 N/A SER 147.A N SER 144.A O no hydrogen 3.076 N/A SER 147.A OG SER 144.A O no hydrogen 2.722 N/A GLY 149.A N TYR 161.A O no hydrogen 2.916 N/A PHE 150.A N SER 113.A O no hydrogen 2.903 N/A ASN 151.A N SER 158.A O no hydrogen 3.062 N/A ASN 151.A ND2 THR 111.A O no hydrogen 3.083 N/A ASP 153.A N CYS 156.A O no hydrogen 2.909 N/A ASP 155.A N ASP 155.A OD1.B no hydrogen 2.418 N/A CYS 156.A N ASP 153.A O no hydrogen 2.803 N/A VAL 157.A N LYS 100.A O no hydrogen 3.030 N/A SER 158.A N ASN 151.A O no hydrogen 2.949 N/A PHE 159.A N LYS 102.A O no hydrogen 2.804 N/A CYS 160.A N GLY 149.A O no hydrogen 2.876 N/A TYR 161.A OH HIS 163.A ND1 no hydrogen 2.997 N/A MET 162.A N THR 175.A O no hydrogen 2.643 N/A HIS 163.A N SER 147.A O no hydrogen 2.866 N/A HIS 163.A ND1 TYR 161.A OH no hydrogen 2.997 N/A HIS 164.A N ALA 173.A O no hydrogen 3.425 N/A HIS 164.A NE2 THR 175.A OG1 no hydrogen 3.123 N/A MET 165.A N.A ALA 173.A O no hydrogen 2.949 N/A MET 165.A N.B ALA 173.A O no hydrogen 2.981 N/A LEU 167.A N VAL 171.A O no hydrogen 2.672 N/A GLY 170.A N LEU 167.A O no hydrogen 2.862 N/A HIS 172.A N ILE 136.A O no hydrogen 3.071 N/A HIS 172.A NE2 GLU 166.A OE2 no hydrogen 2.761 N/A ALA 173.A N MET 165.A O no hydrogen 2.921 N/A THR 175.A N MET 162.A O no hydrogen 3.042 N/A THR 175.A OG1 HIS 164.A NE2 no hydrogen 3.123 N/A THR 175.A OG1 ASP 176.A O no hydrogen 2.600 N/A ASP 176.A N LYS 180.A O no hydrogen 3.040 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 2.682 N/A GLY 179.A N ASP 176.A O no hydrogen 3.166 N/A LYS 180.A N ASP 176.A OD1 no hydrogen 3.400 N/A TYR 182.A N GLY 174.A O no hydrogen 3.005 N/A TYR 182.A OH CYS 160.A O no hydrogen 2.435 N/A VAL 186.A N GLN 192.A OE1 no hydrogen 3.228 N/A ARG 188.A NE THR 190.A OG1 no hydrogen 3.378 N/A GLN 189.A N MET 49.A O no hydrogen 2.728 N/A GLN 192.A NE2 VAL 186.A O no hydrogen 3.472 N/A THR 199.A N ASN 238.A O no hydrogen 3.030 N/A ILE 200.A N ASP 289.A OD1 no hydrogen 3.052 N/A THR 201.A OG1 GLU 240.A O no hydrogen 2.717 N/A ASN 203.A ND2 GLY 109.A O no hydrogen 3.247 N/A ASN 203.A ND2 ASP 289.A O no hydrogen 2.607 N/A VAL 204.A N ILE 200.A O no hydrogen 3.116 N/A LEU 205.A N THR 201.A O no hydrogen 3.022 N/A ALA 206.A N LEU 202.A O no hydrogen 2.958 N/A TRP 207.A N ASN 203.A O no hydrogen 3.071 N/A TRP 207.A N VAL 204.A O no hydrogen 2.759 N/A LEU 208.A N VAL 204.A O no hydrogen 2.995 N/A LEU 208.A N LEU 205.A O no hydrogen 3.169 N/A TYR 209.A N LEU 205.A O no hydrogen 3.236 N/A TYR 209.A OH ILE 259.A O no hydrogen 2.774 N/A ALA 210.A N ALA 206.A O no hydrogen 3.101 N/A ALA 211.A N TRP 207.A O no hydrogen 3.015 N/A VAL 212.A N LEU 208.A O no hydrogen 3.039 N/A ILE 213.A N TYR 209.A O no hydrogen 2.653 N/A ASN 214.A N ALA 210.A O no hydrogen 3.046 N/A ASN 214.A ND2 GLY 2.A O no hydrogen 3.583 N/A GLY 215.A N ALA 211.A O no hydrogen 2.742 N/A ASP 216.A N ALA 211.A O no hydrogen 2.508 N/A TRP 218.A NE1 THR 280.A O no hydrogen 3.225 N/A LEU 220.A N ARG 217.A O no hydrogen 3.211 N/A ASN 221.A ND2 GLU 270.A OE1 no hydrogen 2.713 N/A PHE 223.A N ASN 221.A OD1 no hydrogen 2.820 N/A THR 224.A OG1 ASP 263.A OD1 no hydrogen 3.325 N/A THR 225.A OG1 THR 226.A O no hydrogen 3.226 N/A ASP 229.A N THR 226.A OG1 no hydrogen 3.117 N/A PHE 230.A N THR 226.A O no hydrogen 3.075 N/A ASN 231.A N LEU 227.A O no hydrogen 2.950 N/A ASN 231.A ND2 LEU 242.A O no hydrogen 2.860 N/A LEU 232.A N ASN 228.A O no hydrogen 3.159 N/A VAL 233.A N ASP 229.A O no hydrogen 3.409 N/A ALA 234.A N PHE 230.A O no hydrogen 2.787 N/A MET 235.A N ASN 231.A O no hydrogen 2.789 N/A TYR 237.A N VAL 233.A O no hydrogen 3.268 N/A ASN 238.A N MET 235.A O no hydrogen 3.070 N/A ASN 238.A ND2 ASP 197.A O no hydrogen 3.116 N/A TYR 239.A N ALA 234.A O no hydrogen 3.269 N/A GLU 240.A N THR 199.A O no hydrogen 3.141 N/A LEU 242.A N ASN 231.A OD1 no hydrogen 2.778 N/A GLN 244.A NE2 ASP 248.A OD1 no hydrogen 2.780 N/A HIS 246.A N THR 243.A O no hydrogen 3.229 N/A HIS 246.A N THR 243.A OG1 no hydrogen 3.285 N/A VAL 247.A N THR 243.A O no hydrogen 3.077 N/A ASP 248.A N GLN 244.A O no hydrogen 3.043 N/A ILE 249.A N ASP 245.A O no hydrogen 3.128 N/A LEU 250.A N HIS 246.A O no hydrogen 3.288 N/A GLY 251.A N ASP 248.A O no hydrogen 2.854 N/A SER 254.A N LEU 250.A O no hydrogen 2.968 N/A SER 254.A OG ILE 259.A O no hydrogen 2.368 N/A ALA 255.A N GLY 251.A O no hydrogen 2.911 N/A GLN 256.A N PRO 252.A O no hydrogen 2.922 N/A GLN 256.A NE2 SER 301.A O no hydrogen 3.476 N/A GLN 256.A NE2 THR 304.A OG1 no hydrogen 3.023 N/A THR 257.A N LEU 253.A O no hydrogen 3.125 N/A THR 257.A OG1 LEU 253.A O no hydrogen 3.085 N/A GLY 258.A N SER 254.A O no hydrogen 2.896 N/A MET 264.A N ALA 260.A O no hydrogen 2.708 N/A CYS 265.A N VAL 261.A O no hydrogen 2.699 N/A CYS 265.A SG VAL 261.A O no hydrogen 3.378 N/A ALA 266.A N LEU 262.A O no hydrogen 3.011 N/A ALA 267.A N ASP 263.A O no hydrogen 3.109 N/A LEU 268.A N MET 264.A O no hydrogen 2.975 N/A LYS 269.A N CYS 265.A O no hydrogen 2.717 N/A LYS 269.A NZ THR 225.A OG1 no hydrogen 2.987 N/A GLU 270.A N ALA 266.A O no hydrogen 2.947 N/A LEU 271.A N ALA 267.A O no hydrogen 3.016 N/A LEU 272.A N LEU 268.A O no hydrogen 2.868 N/A GLN 273.A N LYS 269.A O no hydrogen 2.867 N/A ASN 274.A N GLU 270.A O no hydrogen 2.620 N/A ASN 277.A ND2 ASN 274.A O no hydrogen 2.686 N/A ARG 279.A N MET 276.A O no hydrogen 2.861 N/A ILE 281.A N SER 284.A O no hydrogen 2.602 N/A SER 284.A N ILE 281.A O no hydrogen 2.932 N/A GLU 290.A N GLU 288.A OE1 no hydrogen 3.091 N/A THR 292.A N ASP 295.A OD2 no hydrogen 2.988 N/A ASP 295.A N THR 292.A OG1 no hydrogen 2.933 N/A VAL 296.A N THR 292.A O no hydrogen 2.851 N/A VAL 297.A N PRO 293.A O no hydrogen 3.009 N/A ARG 298.A N PHE 294.A O no hydrogen 2.977 N/A ARG 298.A NH1 MET 6.A O no hydrogen 3.265 N/A ARG 298.A NH2 ALA 7.A O no hydrogen 3.499 N/A GLN 299.A N ASP 295.A O no hydrogen 3.081 N/A GLN 299.A NE2 ARG 4.A O no hydrogen 2.861 N/A CYS 300.A N VAL 296.A O no hydrogen 2.776 N/A SER 301.A OG VAL 303.A O no hydrogen 2.867 N/A VAL 303.A N SER 301.A OG no hydrogen 2.943 N/A THR 304.A OG1 GLN 256.A O no hydrogen 2.790 N/A PHE 305.A N ILE 213.A O no hydrogen 2.899 N/A GLN 306.A NE2.B THR 304.A O no hydrogen 2.923 N/A