Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5e8r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A OH GLU 123.A OE1 no hydrogen 2.630 N/A TYR 7.A N ASP 3.A O no hydrogen 3.240 N/A GLU 8.A N GLN 4.A O no hydrogen 3.244 N/A CYS 9.A N TYR 6.A O no hydrogen 3.200 N/A CYS 9.A SG LEU 5.A O no hydrogen 3.382 N/A CYS 9.A SG TYR 6.A O no hydrogen 3.328 N/A TYR 10.A N TYR 7.A O no hydrogen 2.907 N/A TYR 10.A OH GLU 123.A OE1 no hydrogen 2.503 N/A SER 11.A N GLU 8.A O no hydrogen 3.046 N/A SER 11.A OG GLU 8.A O no hydrogen 2.712 N/A SER 14.A N ASP 12.A OD2 no hydrogen 3.209 N/A SER 14.A OG ASP 12.A OD2 no hydrogen 3.072 N/A HIS 16.A N VAL 13.A O no hydrogen 3.069 N/A HIS 16.A NE2 TYR 10.A O no hydrogen 2.833 N/A GLU 17.A N VAL 13.A O no hydrogen 2.974 N/A GLU 18.A N SER 14.A O no hydrogen 3.046 N/A MET 19.A N VAL 15.A O no hydrogen 3.268 N/A ILE 20.A N HIS 16.A O no hydrogen 3.010 N/A ALA 21.A N GLU 17.A O no hydrogen 2.873 N/A ASP 22.A N GLU 18.A O no hydrogen 3.234 N/A ARG 25.A N ASP 22.A OD1 no hydrogen 2.897 N/A ARG 25.A NE MET 19.A O no hydrogen 2.858 N/A ARG 25.A NH1 GLU 114.A OE1 no hydrogen 2.807 N/A ARG 25.A NH2 MET 19.A O no hydrogen 3.321 N/A ARG 25.A NH2 THR 26.A OG1 no hydrogen 3.327 N/A THR 26.A N ASP 22.A O no hydrogen 3.011 N/A THR 26.A OG1 ILE 20.A O no hydrogen 3.451 N/A THR 26.A OG1 ASP 22.A O no hydrogen 3.014 N/A ASP 27.A N ARG 23.A O no hydrogen 2.837 N/A ALA 28.A N VAL 24.A O no hydrogen 3.141 N/A TYR 29.A N ARG 25.A O no hydrogen 3.046 N/A TYR 29.A OH SER 113.A O no hydrogen 2.771 N/A ARG 30.A N THR 26.A O no hydrogen 2.842 N/A LEU 31.A N ASP 27.A O no hydrogen 2.780 N/A GLY 32.A N ALA 28.A O no hydrogen 2.769 N/A ILE 33.A N TYR 29.A O no hydrogen 3.096 N/A LEU 34.A N ARG 30.A O no hydrogen 2.941 N/A ARG 35.A N LEU 31.A O no hydrogen 2.962 N/A ARG 35.A NE LYS 260.A O no hydrogen 2.844 N/A ASN 36.A N ILE 33.A O no hydrogen 3.190 N/A ASN 36.A ND2 GLY 32.A O no hydrogen 2.887 N/A ASN 36.A ND2 PRO 256.A O no hydrogen 3.015 N/A TRP 37.A N LEU 34.A O no hydrogen 3.234 N/A LEU 40.A N ASN 36.A O no hydrogen 3.087 N/A ARG 41.A N TRP 37.A O no hydrogen 2.932 N/A GLY 42.A N GLY 63.A O no hydrogen 3.083 N/A LYS 43.A N LEU 40.A O no hydrogen 2.971 N/A VAL 45.A N ARG 66.A O no hydrogen 3.024 N/A LEU 46.A N ALA 110.A O no hydrogen 2.831 N/A ASP 47.A N TYR 68.A O no hydrogen 2.891 N/A VAL 48.A N VAL 112.A O no hydrogen 3.084 N/A GLY 49.A N VAL 70.A O no hydrogen 2.850 N/A ALA 50.A N VAL 70.A O no hydrogen 2.994 N/A GLY 51.A N GLU 71.A OE1 no hydrogen 2.906 N/A GLY 53.A N ALA 50.A O no hydrogen 2.695 N/A SER 56.A OG ASP 47.A OD2 no hydrogen 2.586 N/A ILE 57.A N GLY 53.A O no hydrogen 3.171 N/A PHE 58.A N ILE 54.A O no hydrogen 3.157 N/A CYS 59.A N LEU 55.A O no hydrogen 3.240 N/A CYS 59.A SG LEU 55.A O no hydrogen 3.296 N/A ALA 60.A N SER 56.A O no hydrogen 3.017 N/A GLN 61.A N ILE 57.A O no hydrogen 2.886 N/A ALA 62.A N PHE 58.A O no hydrogen 2.896 N/A GLY 63.A N ALA 60.A O no hydrogen 3.270 N/A ALA 64.A N CYS 59.A O no hydrogen 3.165 N/A ARG 65.A N LYS 43.A O no hydrogen 3.102 N/A VAL 67.A N ARG 91.A O no hydrogen 2.789 N/A TYR 68.A N VAL 45.A O no hydrogen 2.932 N/A TYR 68.A OH GLU 106.A OE2 no hydrogen 3.121 N/A ALA 69.A N HIS 93.A O no hydrogen 2.813 N/A VAL 70.A N ASP 47.A O no hydrogen 2.945 N/A GLU 71.A N LEU 95.A O no hydrogen 3.408 N/A SER 73.A N GLU 71.A OE2 no hydrogen 2.802 N/A SER 73.A OG GLU 71.A OE2 no hydrogen 2.935 N/A TRP 76.A N SER 73.A O no hydrogen 3.022 N/A GLN 77.A N ALA 74.A O no hydrogen 3.215 N/A GLN 77.A NE2 ALA 74.A O no hydrogen 3.288 N/A GLN 78.A N ILE 75.A O no hydrogen 2.948 N/A ALA 79.A N ILE 75.A O no hydrogen 3.149 N/A ARG 80.A N TRP 76.A O no hydrogen 2.908 N/A GLU 81.A N GLN 77.A O no hydrogen 3.147 N/A VAL 82.A N GLN 78.A O no hydrogen 3.066 N/A VAL 83.A N ALA 79.A O no hydrogen 3.213 N/A ARG 84.A N ARG 80.A O no hydrogen 3.154 N/A PHE 85.A N GLU 81.A O no hydrogen 2.948 N/A ASN 86.A N VAL 82.A O no hydrogen 2.941 N/A ASN 86.A ND2 VAL 82.A O no hydrogen 2.978 N/A GLY 87.A N ARG 84.A O no hydrogen 3.161 N/A LEU 88.A N VAL 83.A O no hydrogen 3.102 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.989 N/A ARG 91.A N LEU 88.A O no hydrogen 3.167 N/A ARG 91.A NH2 ALA 64.A O no hydrogen 2.839 N/A VAL 92.A N LEU 88.A O no hydrogen 2.844 N/A HIS 93.A N VAL 67.A O no hydrogen 2.902 N/A LEU 95.A N ALA 69.A O no hydrogen 2.880 N/A GLY 97.A N GLU 71.A O no hydrogen 3.267 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.823 N/A THR 101.A N PRO 98.A O no hydrogen 3.281 N/A THR 101.A OG1 PRO 98.A O no hydrogen 3.496 N/A GLN 107.A NE2 LYS 135.A O no hydrogen 2.973 N/A VAL 108.A N TRP 136.A O no hydrogen 2.825 N/A ASP 109.A N THR 44.A O no hydrogen 3.053 N/A ILE 111.A N LEU 142.A O no hydrogen 2.869 N/A VAL 112.A N LEU 46.A O no hydrogen 2.849 N/A SER 113.A N LEU 144.A O no hydrogen 3.140 N/A SER 113.A OG VAL 48.A O no hydrogen 3.034 N/A MET 116.A N GLU 114.A OE2 no hydrogen 3.183 N/A GLY 117.A N LEU 120.A O no hydrogen 2.766 N/A LEU 121.A N GLY 119.A O no hydrogen 2.730 N/A HIS 122.A N TYR 118.A O no hydrogen 3.173 N/A GLU 123.A N ARG 308.A O no hydrogen 2.828 N/A SER 124.A N LEU 121.A O no hydrogen 3.064 N/A SER 124.A OG PRO 307.A O no hydrogen 2.904 N/A SER 128.A OG GLU 100.A OE2 no hydrogen 3.006 N/A VAL 129.A N MET 125.A O no hydrogen 3.386 N/A LEU 130.A N LEU 126.A O no hydrogen 2.944 N/A HIS 131.A N.A SER 127.A O no hydrogen 2.911 N/A HIS 131.A N.B SER 127.A O no hydrogen 2.917 N/A ALA 132.A N SER 128.A O no hydrogen 3.022 N/A ARG 133.A N.A VAL 129.A O no hydrogen 2.970 N/A ARG 133.A N.B VAL 129.A O no hydrogen 2.965 N/A THR 134.A N LEU 130.A O no hydrogen 3.294 N/A THR 134.A OG1 LEU 130.A O no hydrogen 3.001 N/A LYS 135.A N HIS 131.A O.A no hydrogen 3.155 N/A LYS 135.A N HIS 131.A O.B no hydrogen 3.198 N/A LYS 135.A NZ GLU 100.A O no hydrogen 3.074 N/A TRP 136.A N ALA 132.A O no hydrogen 2.935 N/A LEU 137.A N ARG 133.A O.A no hydrogen 2.964 N/A LEU 137.A N ARG 133.A O.B no hydrogen 2.971 N/A LYS 138.A N VAL 108.A O no hydrogen 3.038 N/A LYS 138.A NZ ASP 109.A OD2 no hydrogen 2.960 N/A GLY 141.A N LYS 138.A O no hydrogen 3.217 N/A LEU 142.A N ASP 109.A O no hydrogen 3.204 N/A LEU 144.A N ILE 111.A O no hydrogen 3.014 N/A ALA 146.A N THR 254.A O no hydrogen 2.879 N/A ALA 148.A N LEU 215.A O no hydrogen 2.939 N/A GLU 149.A N GLN 252.A O no hydrogen 3.025 N/A LEU 150.A N ALA 213.A O no hydrogen 3.113 N/A PHE 151.A N TRP 250.A O no hydrogen 2.818 N/A ILE 152.A N GLN 210.A O no hydrogen 2.909 N/A VAL 153.A N ALA 248.A O no hydrogen 3.208 N/A ILE 155.A N GLY 246.A O no hydrogen 2.943 N/A SER 156.A N ASP 204.A O no hydrogen 2.832 N/A SER 156.A OG PRO 243.A O no hydrogen 2.620 N/A GLN 158.A NE2 ASP 204.A OD1 no hydrogen 3.413 N/A LEU 160.A N ASP 157.A OD1 no hydrogen 3.245 N/A GLU 161.A N ASP 157.A O no hydrogen 3.110 N/A TRP 162.A N GLN 158.A O no hydrogen 2.957 N/A ARG 163.A N MET 159.A O no hydrogen 3.243 N/A LEU 164.A N LEU 160.A O no hydrogen 2.944 N/A GLY 165.A N GLU 161.A O no hydrogen 3.033 N/A SER 168.A N GLY 165.A O no hydrogen 3.202 N/A GLN 169.A N PHE 166.A O no hydrogen 2.951 N/A HIS 173.A N GLN 169.A O no hydrogen 3.202 N/A TYR 174.A N VAL 170.A O no hydrogen 2.816 N/A GLY 175.A N LYS 171.A O no hydrogen 2.867 N/A SER 179.A N ASP 177.A OD1 no hydrogen 3.041 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.843 N/A LEU 181.A N MET 178.A O no hydrogen 3.080 N/A GLU 182.A N SER 179.A O no hydrogen 3.309 N/A ALA 185.A N LEU 181.A O no hydrogen 2.942 N/A THR 186.A N GLU 182.A O no hydrogen 3.032 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.772 N/A ARG 187.A N GLY 183.A O no hydrogen 2.983 N/A CYS 188.A N PHE 184.A O no hydrogen 3.079 N/A CYS 188.A SG PHE 184.A O no hydrogen 3.931 N/A LEU 189.A N ALA 185.A O no hydrogen 2.979 N/A MET 190.A N THR 186.A O no hydrogen 2.828 N/A GLY 191.A N ARG 187.A O no hydrogen 3.043 N/A ILE 195.A N ALA 329.A O no hydrogen 2.849 N/A VAL 196.A N LEU 279.A O no hydrogen 3.119 N/A VAL 197.A N GLU 331.A OE2 no hydrogen 3.233 N/A GLN 198.A N GLN 277.A O no hydrogen 3.012 N/A LEU 200.A N GLN 277.A OE1 no hydrogen 2.738 N/A SER 201.A N ASP 204.A OD2 no hydrogen 2.763 N/A SER 201.A OG ASP 204.A OD2 no hydrogen 2.723 N/A ASP 204.A N SER 201.A O no hydrogen 3.192 N/A VAL 205.A N GLY 202.A O no hydrogen 3.206 N/A LEU 206.A N PRO 154.A O no hydrogen 3.113 N/A GLN 210.A N ILE 152.A O no hydrogen 2.935 N/A GLN 210.A NE2 ARG 208.A O no hydrogen 3.121 N/A PHE 212.A N LEU 150.A O no hydrogen 3.040 N/A LEU 215.A N ALA 148.A O no hydrogen 2.705 N/A LEU 217.A N ALA 146.A O no hydrogen 3.201 N/A ARG 219.A N GLU 216.A O no hydrogen 3.308 N/A ARG 219.A NH1 GLU 225.A OE1 no hydrogen 2.802 N/A GLU 225.A N GLY 221.A O no hydrogen 3.319 N/A LEU 226.A N LEU 222.A O no hydrogen 3.068 N/A ALA 228.A N GLN 224.A O no hydrogen 3.457 N/A GLY 229.A N GLU 225.A O no hydrogen 3.223 N/A VAL 230.A N LEU 300.A O no hydrogen 3.136 N/A GLY 232.A N ILE 298.A O no hydrogen 3.078 N/A PHE 234.A N GLY 296.A O no hydrogen 2.943 N/A CYS 236.A N VAL 294.A O no hydrogen 2.978 N/A CYS 236.A SG VAL 294.A O no hydrogen 3.774 N/A CYS 238.A N THR 292.A O no hydrogen 3.117 N/A CYS 238.A SG THR 292.A O no hydrogen 3.900 N/A TYR 239.A N LEU 206.A O no hydrogen 2.788 N/A SER 241.A OG GLN 287.A OE1 no hydrogen 3.196 N/A SER 241.A OG VAL 288.A O no hydrogen 3.521 N/A SER 241.A OG GLU 289.A OE1 no hydrogen 2.872 N/A ALA 242.A N VAL 288.A O no hydrogen 3.113 N/A MET 244.A N VAL 286.A O no hydrogen 2.850 N/A HIS 245.A N ILE 155.A O no hydrogen 3.001 N/A PHE 247.A N LEU 280.A O no hydrogen 2.843 N/A ALA 248.A N VAL 153.A O no hydrogen 3.059 N/A ILE 249.A N ALA 278.A O no hydrogen 2.798 N/A TRP 250.A N PHE 151.A O no hydrogen 3.215 N/A PHE 251.A N THR 266.A OG1 no hydrogen 3.046 N/A GLN 252.A N GLU 149.A O no hydrogen 3.011 N/A VAL 253.A N LEU 264.A O no hydrogen 2.939 N/A THR 254.A N SER 147.A O no hydrogen 3.190 N/A PHE 255.A N LEU 262.A O no hydrogen 2.708 N/A LEU 262.A N PHE 255.A O no hydrogen 3.142 N/A LEU 264.A N VAL 253.A O no hydrogen 2.777 N/A THR 266.A N PHE 251.A O no hydrogen 2.933 N/A THR 266.A OG1 PHE 251.A O no hydrogen 2.742 N/A SER 267.A N SER 265.A OG no hydrogen 3.119 N/A PHE 269.A N SER 267.A OG no hydrogen 3.108 N/A HIS 270.A N SER 267.A O no hydrogen 3.289 N/A HIS 274.A N ASP 22.A OD2 no hydrogen 2.671 N/A HIS 274.A ND1 ASP 22.A OD2 no hydrogen 2.844 N/A TRP 275.A NE1 MET 116.A O no hydrogen 2.882 N/A LYS 276.A N THR 273.A O no hydrogen 3.073 N/A GLN 277.A N GLN 198.A O no hydrogen 3.136 N/A GLN 277.A NE2 THR 266.A O no hydrogen 2.878 N/A ALA 278.A N ILE 249.A O no hydrogen 2.976 N/A LEU 279.A N VAL 196.A O no hydrogen 2.751 N/A LEU 280.A N PHE 247.A O no hydrogen 2.635 N/A TYR 281.A OH ASP 157.A OD2 no hydrogen 2.812 N/A LEU 282.A N HIS 245.A O no hydrogen 3.054 N/A VAL 286.A N MET 244.A O no hydrogen 3.043 N/A VAL 288.A N ALA 242.A O no hydrogen 2.894 N/A GLU 289.A N THR 292.A OG1 no hydrogen 2.956 N/A ASP 291.A N CYS 238.A O no hydrogen 2.859 N/A THR 292.A OG1 GLU 289.A O no hydrogen 2.621 N/A VAL 294.A N CYS 236.A O no hydrogen 3.116 N/A SER 295.A N LYS 317.A O no hydrogen 3.021 N/A GLY 296.A N PHE 234.A O no hydrogen 3.101 N/A GLU 297.A N ARG 315.A O no hydrogen 2.900 N/A ILE 298.A N GLY 232.A O no hydrogen 3.096 N/A THR 299.A N LEU 313.A O no hydrogen 3.024 N/A LEU 300.A N VAL 230.A O no hydrogen 2.757 N/A LEU 301.A N ARG 311.A O no hydrogen 2.805 N/A SER 303.A N ARG 309.A O no hydrogen 2.864 N/A SER 303.A OG ARG 309.A O no hydrogen 3.003 N/A ARG 308.A N ASN 306.A OD1 no hydrogen 3.200 N/A ARG 308.A NH1 GLU 123.A O no hydrogen 2.723 N/A ARG 309.A N ASN 306.A O no hydrogen 3.008 N/A ARG 309.A NE MET 330.A O no hydrogen 2.813 N/A ARG 309.A NH2 MET 330.A O no hydrogen 2.751 N/A ARG 311.A N LEU 301.A O no hydrogen 2.715 N/A ARG 311.A NE ASP 327.A OD2 no hydrogen 3.020 N/A ARG 311.A NH1 ASP 327.A OD2 no hydrogen 2.840 N/A VAL 312.A N PHE 328.A O no hydrogen 2.969 N/A LEU 313.A N THR 299.A O no hydrogen 3.005 N/A LEU 314.A N LYS 326.A O no hydrogen 2.948 N/A ARG 315.A N GLU 297.A O no hydrogen 2.833 N/A TYR 316.A N LYS 324.A O no hydrogen 2.862 N/A LYS 317.A N SER 295.A O no hydrogen 2.748 N/A LYS 317.A NZ GLY 319.A O no hydrogen 3.329 N/A LYS 317.A NZ GLN 321.A O no hydrogen 2.759 N/A GLY 319.A N ASP 293.A O no hydrogen 2.771 N/A GLU 322.A N GLU 322.A OE1 no hydrogen 2.704 N/A LYS 324.A N TYR 316.A O no hydrogen 2.831 N/A LYS 326.A N LEU 314.A O no hydrogen 2.943 N/A LYS 326.A NZ MET 190.A O no hydrogen 2.835 N/A LYS 326.A NZ TYR 281.A O no hydrogen 3.160 N/A LYS 326.A NZ ASN 283.A OD1 no hydrogen 2.680 N/A PHE 328.A N VAL 312.A O no hydrogen 2.792 N/A ALA 329.A N SER 193.A O no hydrogen 3.178 N/A MET 330.A N LEU 310.A O no hydrogen 3.022 N/A GLU 331.A N ILE 195.A O no hydrogen 3.316 N/A ASP 332.A N GLU 194.A OE1 no hydrogen 3.369 N/A