Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ALA 77.A O no hydrogen 3.131 N/A THR 2.A N ALA 77.A O no hydrogen 2.956 N/A THR 2.A OG1 ALA 77.A O no hydrogen 3.095 N/A HIS 5.A N LEU 88.A O no hydrogen 3.164 N/A PHE 7.A N PHE 90.A O no hydrogen 2.827 N/A PHE 9.A N ASP 93.A OD1 no hydrogen 2.979 N/A PHE 9.A N ASP 93.A OD2 no hydrogen 3.428 N/A TYR 10.A N SER 8.A OG no hydrogen 3.314 N/A LEU 12.A N SER 8.A O no hydrogen 3.319 N/A LYS 13.A N PHE 9.A O no hydrogen 2.835 N/A ASN 14.A N TYR 10.A O no hydrogen 2.898 N/A VAL 15.A N GLU 11.A O no hydrogen 2.951 N/A THR 16.A OG1 LEU 12.A O no hydrogen 2.756 N/A THR 16.A OG1 LYS 13.A O no hydrogen 3.126 N/A ASN 17.A N ASN 14.A O no hydrogen 3.289 N/A ASN 17.A ND2 ASP 20.A OD2 no hydrogen 3.029 N/A ASN 18.A N LYS 13.A O no hydrogen 2.799 N/A PHE 19.A N THR 16.A OG1 no hydrogen 3.140 N/A ASP 20.A N THR 16.A O no hydrogen 3.215 N/A ARG 22.A N ASP 20.A OD1 no hydrogen 3.493 N/A ARG 22.A NE ASP 20.A OD1 no hydrogen 3.017 N/A ARG 22.A NH2 ASP 20.A OD2 no hydrogen 3.118 N/A ILE 24.A N LYS 30.A O no hydrogen 3.241 N/A VAL 26.A N PRO 23.A O no hydrogen 3.093 N/A GLY 27.A N ILE 24.A O no hydrogen 3.129 N/A GLY 28.A N PRO 23.A O no hydrogen 3.011 N/A ASN 29.A N ASP 20.A O no hydrogen 3.226 N/A LYS 30.A N ARG 22.A O no hydrogen 3.039 N/A LYS 30.A NZ GLU 33.A OE2 no hydrogen 2.974 N/A MET 31.A N VAL 39.A O no hydrogen 2.910 N/A GLY 32.A N VAL 39.A O no hydrogen 3.457 N/A GLY 34.A N GLY 37.A O no hydrogen 2.870 N/A VAL 38.A N LYS 53.A O no hydrogen 3.096 N/A VAL 39.A N GLY 32.A O no hydrogen 2.857 N/A TYR 40.A N VAL 51.A O no hydrogen 2.769 N/A LYS 41.A N ASN 29.A O no hydrogen 2.773 N/A LYS 41.A NZ TYR 103.A OH no hydrogen 3.211 N/A GLY 42.A N VAL 49.A O no hydrogen 3.053 N/A VAL 44.A N THR 47.A O no hydrogen 2.946 N/A THR 47.A N VAL 44.A O no hydrogen 2.970 N/A THR 47.A OG1 ASN 45.A O no hydrogen 3.213 N/A VAL 49.A N GLY 42.A O no hydrogen 3.067 N/A ALA 50.A N TYR 101.A O no hydrogen 2.999 N/A VAL 51.A N TYR 40.A O no hydrogen 2.823 N/A LYS 52.A N LEU 99.A O no hydrogen 2.822 N/A LYS 52.A NZ GLU 72.A OE1 no hydrogen 3.232 N/A LYS 53.A N VAL 38.A O no hydrogen 2.859 N/A LYS 53.A NZ ASP 96.A OD2 no hydrogen 2.761 N/A LEU 54.A N LEU 97.A O no hydrogen 2.943 N/A ALA 55.A N PHE 36.A O no hydrogen 2.893 N/A MET 57.A N ALA 55.A O no hydrogen 2.925 N/A THR 61.A N GLU 64.A OE1 no hydrogen 3.380 N/A GLU 64.A N THR 61.A OG1 no hydrogen 3.268 N/A LEU 65.A N THR 61.A O no hydrogen 3.204 N/A LYS 66.A N THR 62.A O no hydrogen 2.997 N/A LYS 66.A NZ ASP 70.A OD1 no hydrogen 3.204 N/A GLN 67.A N GLU 63.A O no hydrogen 3.028 N/A GLN 68.A N GLU 64.A O no hydrogen 3.021 N/A PHE 69.A N LEU 65.A O no hydrogen 3.038 N/A ASP 70.A N LYS 66.A O no hydrogen 2.959 N/A GLN 71.A N GLN 67.A O no hydrogen 2.853 N/A GLN 71.A NE2 ALA 172.A O no hydrogen 2.829 N/A GLU 72.A N GLN 68.A O no hydrogen 2.933 N/A ILE 73.A N PHE 69.A O no hydrogen 3.211 N/A LYS 74.A N ASP 70.A O no hydrogen 2.963 N/A VAL 75.A N GLN 71.A O no hydrogen 2.889 N/A MET 76.A N GLU 72.A O no hydrogen 2.925 N/A ALA 77.A N ILE 73.A O no hydrogen 2.924 N/A LYS 78.A N VAL 75.A O no hydrogen 3.115 N/A CYS 79.A N VAL 75.A O no hydrogen 2.832 N/A CYS 79.A SG HIS 146.A ND1 no hydrogen 3.983 N/A ASN 83.A N HIS 81.A ND1 no hydrogen 2.927 N/A ASN 83.A ND2 ALA 164.A O no hydrogen 2.926 N/A LEU 84.A N HIS 81.A O no hydrogen 3.048 N/A VAL 85.A N ILE 166.A O no hydrogen 2.859 N/A LEU 88.A N VAL 100.A O no hydrogen 2.821 N/A GLY 89.A N VAL 100.A O no hydrogen 3.278 N/A PHE 90.A N HIS 5.A O no hydrogen 3.072 N/A SER 91.A N CYS 98.A O no hydrogen 2.903 N/A SER 91.A OG PHE 7.A O no hydrogen 3.044 N/A SER 91.A OG ASP 93.A OD1 no hydrogen 2.989 N/A CYS 98.A N SER 91.A O no hydrogen 2.978 N/A CYS 98.A SG ASP 96.A O no hydrogen 3.991 N/A LEU 99.A N LYS 52.A O no hydrogen 2.879 N/A VAL 100.A N GLY 89.A O no hydrogen 2.884 N/A TYR 101.A N ALA 50.A O no hydrogen 2.881 N/A TYR 101.A OH GLU 72.A OE2 no hydrogen 3.079 N/A VAL 102.A N GLU 86.A O no hydrogen 3.027 N/A ASN 106.A N LEU 158.A O no hydrogen 3.124 N/A ASN 106.A ND2 ASP 159.A O no hydrogen 2.946 N/A GLY 107.A N MET 104.A O no hydrogen 3.102 N/A LEU 109.A N ILE 156.A O no hydrogen 2.795 N/A LEU 110.A N SER 153.A O no hydrogen 3.145 N/A ASP 111.A N SER 108.A OG no hydrogen 3.179 N/A ARG 112.A N SER 108.A O no hydrogen 3.061 N/A ARG 112.A NE THR 119.A OG1 no hydrogen 2.876 N/A ARG 112.A NH1 ASN 106.A O no hydrogen 2.991 N/A ARG 112.A NH2 LEU 116.A O no hydrogen 2.987 N/A ARG 112.A NH2 THR 119.A OG1 no hydrogen 3.377 N/A LEU 113.A N LEU 109.A O no hydrogen 2.833 N/A SER 114.A N LEU 110.A O no hydrogen 3.092 N/A SER 114.A OG LEU 110.A O no hydrogen 3.359 N/A SER 114.A OG ASP 111.A O no hydrogen 3.134 N/A CYS 115.A N ARG 112.A O no hydrogen 3.169 N/A CYS 115.A SG ARG 112.A O no hydrogen 3.791 N/A LEU 116.A N ASP 111.A O no hydrogen 2.966 N/A GLY 118.A N CYS 115.A O no hydrogen 3.060 N/A THR 119.A OG1 LEU 116.A O no hydrogen 3.412 N/A TRP 124.A N ASP 256.A OD1 no hydrogen 2.816 N/A TRP 124.A NE1 SER 261.A OG no hydrogen 2.640 N/A HIS 125.A N ASP 256.A OD2 no hydrogen 3.011 N/A MET 126.A N SER 123.A OG no hydrogen 3.090 N/A ARG 127.A N SER 123.A O no hydrogen 2.967 N/A ARG 127.A NE LEU 122.A O no hydrogen 2.922 N/A ARG 127.A NH1 ILE 216.A O no hydrogen 2.774 N/A ARG 127.A NH1 ASP 251.A OD2 no hydrogen 2.879 N/A ARG 127.A NH2 LEU 122.A O no hydrogen 2.985 N/A ARG 127.A NH2 ASP 251.A OD2 no hydrogen 3.002 N/A CYS 128.A N TRP 124.A O no hydrogen 2.916 N/A CYS 128.A SG TRP 124.A O no hydrogen 3.407 N/A LYS 129.A N HIS 125.A O no hydrogen 3.299 N/A LYS 129.A NZ ALA 161.A O no hydrogen 2.970 N/A LYS 129.A NZ THR 163.A OG1 no hydrogen 3.348 N/A ILE 130.A N MET 126.A O no hydrogen 2.936 N/A ALA 131.A N ARG 127.A O no hydrogen 2.939 N/A GLN 132.A N CYS 128.A O no hydrogen 3.040 N/A GLY 133.A N LYS 129.A O no hydrogen 2.897 N/A ALA 134.A N ILE 130.A O no hydrogen 2.879 N/A ALA 135.A N ALA 131.A O no hydrogen 3.028 N/A ASN 136.A N GLN 132.A O no hydrogen 2.931 N/A GLY 137.A N GLY 133.A O no hydrogen 3.011 N/A ILE 138.A N ALA 134.A O no hydrogen 3.020 N/A ASN 139.A N ALA 135.A O no hydrogen 2.898 N/A ASN 139.A ND2 GLU 143.A OE2 no hydrogen 3.262 N/A PHE 140.A N ASN 136.A O no hydrogen 3.064 N/A LEU 141.A N GLY 137.A O no hydrogen 3.119 N/A HIS 142.A N ILE 138.A O no hydrogen 2.898 N/A HIS 142.A NE2 ASP 205.A OD2 no hydrogen 2.891 N/A GLU 143.A N ASN 139.A O no hydrogen 2.857 N/A ASN 144.A N PHE 140.A O no hydrogen 3.041 N/A HIS 145.A N HIS 142.A O no hydrogen 3.145 N/A HIS 146.A N LEU 141.A O no hydrogen 2.899 N/A HIS 146.A ND1 ASN 144.A O no hydrogen 2.849 N/A ILE 147.A N ARG 173.A O no hydrogen 2.854 N/A HIS 148.A N ASP 205.A OD2 no hydrogen 2.873 N/A HIS 148.A NE2 SER 167.A O no hydrogen 2.887 N/A ARG 149.A N ASP 205.A OD1 no hydrogen 3.035 N/A ARG 149.A NE LEU 171.A O no hydrogen 2.822 N/A ARG 149.A NH2 LEU 171.A O no hydrogen 3.126 N/A ASP 150.A N HIS 148.A ND1 no hydrogen 2.994 N/A LYS 152.A NZ THR 187.A OG1 no hydrogen 2.816 N/A SER 153.A OG TYR 190.A OH no hydrogen 3.234 N/A SER 153.A OG GLU 215.A OE1 no hydrogen 3.120 N/A SER 153.A OG GLU 215.A OE2 no hydrogen 2.864 N/A ASN 155.A N LYS 152.A O no hydrogen 2.932 N/A ASN 155.A ND2 ASP 150.A O no hydrogen 2.865 N/A ASN 155.A ND2 ASP 150.A OD2 no hydrogen 3.374 N/A ILE 156.A N SER 153.A O no hydrogen 3.327 N/A LEU 157.A N LYS 165.A O no hydrogen 2.783 N/A LEU 158.A N GLY 107.A O no hydrogen 2.800 N/A ASP 159.A N THR 163.A O no hydrogen 3.229 N/A ALA 161.A N ASP 159.A OD1 no hydrogen 2.908 N/A PHE 162.A N ASP 159.A O no hydrogen 2.957 N/A THR 163.A N ASP 159.A OD1 no hydrogen 2.859 N/A LYS 165.A N LEU 157.A O no hydrogen 2.893 N/A LYS 165.A NZ GLU 82.A O no hydrogen 2.765 N/A ILE 166.A N ASN 83.A O no hydrogen 2.898 N/A SER 167.A N ASN 155.A O no hydrogen 2.919 N/A PHE 169.A N GLU 72.A OE2 no hydrogen 3.437 N/A GLY 170.A N ASP 168.A OD1 no hydrogen 3.463 N/A ALA 172.A N PHE 169.A O no hydrogen 3.158 N/A ARG 173.A N ILE 147.A O no hydrogen 2.880 N/A SER 175.A N HIS 145.A O no hydrogen 2.964 N/A LYS 177.A NZ GLN 180.A OE1 no hydrogen 3.264 N/A THR 187.A OG1 ASP 150.A OD1 no hydrogen 2.823 N/A TYR 190.A N THR 187.A O no hydrogen 2.949 N/A TYR 190.A OH SER 153.A OG no hydrogen 3.234 N/A TYR 190.A OH GLU 215.A OE1 no hydrogen 2.970 N/A TYR 190.A OH GLU 215.A OE2 no hydrogen 3.087 N/A MET 191.A N THR 188.A O no hydrogen 3.247 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.860 N/A LEU 196.A N ALA 192.A O no hydrogen 3.111 N/A ARG 197.A N GLU 194.A O no hydrogen 3.234 N/A GLY 198.A N ALA 195.A O no hydrogen 3.119 N/A GLU 199.A N GLU 194.A O no hydrogen 2.962 N/A ILE 200.A N VAL 181.A O no hydrogen 2.824 N/A LYS 203.A N THR 201.A OG1 no hydrogen 3.139 N/A SER 204.A N THR 201.A O no hydrogen 3.028 N/A SER 204.A OG GLU 194.A OE2 no hydrogen 2.662 N/A SER 204.A OG THR 201.A O no hydrogen 3.554 N/A ASP 205.A N PRO 202.A O no hydrogen 3.105 N/A TYR 207.A N LYS 203.A O no hydrogen 3.313 N/A TYR 207.A OH GLU 275.A OE2 no hydrogen 3.229 N/A SER 208.A N SER 204.A O no hydrogen 3.079 N/A SER 208.A OG TYR 190.A O no hydrogen 2.746 N/A SER 208.A OG SER 204.A O no hydrogen 3.220 N/A PHE 209.A N ASP 205.A O no hydrogen 2.958 N/A GLY 210.A N ILE 206.A O no hydrogen 2.999 N/A VAL 211.A N TYR 207.A O no hydrogen 3.270 N/A VAL 212.A N SER 208.A O no hydrogen 3.139 N/A LEU 213.A N PHE 209.A O no hydrogen 2.925 N/A LEU 214.A N GLY 210.A O no hydrogen 3.121 N/A GLU 215.A N VAL 211.A O no hydrogen 2.996 N/A ILE 216.A N VAL 212.A O no hydrogen 2.938 N/A ILE 217.A N LEU 213.A O no hydrogen 3.002 N/A THR 218.A N LEU 214.A O no hydrogen 3.004 N/A THR 218.A OG1 LEU 214.A O no hydrogen 2.744 N/A GLY 219.A N GLU 215.A O no hydrogen 2.780 N/A LEU 220.A N THR 218.A OG1 no hydrogen 3.036 N/A ASP 224.A N GLN 230.A O no hydrogen 2.928 N/A HIS 226.A N ASP 224.A OD1 no hydrogen 3.015 N/A ARG 227.A N ASP 224.A O no hydrogen 3.170 N/A ARG 227.A NE PRO 229.A O no hydrogen 2.868 N/A ARG 227.A NH1 PRO 221.A O no hydrogen 2.910 N/A ARG 227.A NH2 PRO 221.A O no hydrogen 3.010 N/A ARG 227.A NH2 GLN 230.A O no hydrogen 2.851 N/A LEU 232.A N ALA 222.A O no hydrogen 2.836 N/A ASP 234.A N LEU 231.A O no hydrogen 3.083 N/A ILE 235.A N LEU 232.A O no hydrogen 3.013 N/A LYS 236.A N LEU 233.A O no hydrogen 3.289 N/A LYS 236.A NZ SER 270.A O no hydrogen 3.000 N/A GLU 238.A N ASP 234.A O no hydrogen 3.287 N/A ILE 239.A N ILE 235.A O no hydrogen 3.000 N/A GLU 240.A N LYS 236.A O no hydrogen 2.901 N/A ASP 241.A N GLU 237.A O no hydrogen 2.889 N/A GLU 242.A N ILE 239.A O no hydrogen 3.126 N/A GLU 243.A N GLU 238.A O no hydrogen 2.953 N/A LYS 244.A N GLU 238.A O no hydrogen 3.228 N/A THR 245.A N ASP 248.A OD2 no hydrogen 2.875 N/A THR 245.A OG1 ASP 248.A OD2 no hydrogen 3.105 N/A ASP 248.A N THR 245.A O no hydrogen 3.086 N/A ASP 248.A N THR 245.A OG1 no hydrogen 3.322 N/A TYR 249.A N ILE 246.A O no hydrogen 2.889 N/A TYR 249.A OH GLU 238.A OE2 no hydrogen 2.559 N/A ILE 250.A N ILE 246.A O no hydrogen 2.998 N/A ASP 251.A N ILE 217.A O no hydrogen 2.858 N/A LYS 253.A N ASP 251.A OD1 no hydrogen 3.012 N/A LYS 253.A NZ ASP 251.A OD1 no hydrogen 2.756 N/A LYS 253.A NZ ASP 251.A OD2 no hydrogen 3.486 N/A SER 261.A N ASP 258.A OD2 no hydrogen 3.024 N/A SER 261.A OG ASP 258.A OD1 no hydrogen 2.669 N/A SER 261.A OG ASP 258.A OD2 no hydrogen 3.406 N/A VAL 262.A N ASP 258.A O no hydrogen 3.080 N/A GLU 263.A N SER 259.A O no hydrogen 2.901 N/A ALA 264.A N THR 260.A O no hydrogen 2.954 N/A MET 265.A N SER 261.A O no hydrogen 2.933 N/A TYR 266.A N VAL 262.A O no hydrogen 2.872 N/A SER 267.A N GLU 263.A O no hydrogen 2.878 N/A VAL 268.A N ALA 264.A O no hydrogen 3.216 N/A ALA 269.A N MET 265.A O no hydrogen 2.974 N/A SER 270.A N TYR 266.A O no hydrogen 2.831 N/A GLN 271.A N SER 267.A O no hydrogen 3.100 N/A GLN 271.A NE2 SER 267.A O no hydrogen 3.108 N/A GLN 271.A NE2 SER 267.A OG no hydrogen 3.225 N/A CYS 272.A N VAL 268.A O no hydrogen 3.001 N/A CYS 272.A SG VAL 268.A O no hydrogen 3.262 N/A LEU 273.A N ALA 269.A O no hydrogen 2.984 N/A HIS 274.A N GLN 271.A O no hydrogen 3.349 N/A LYS 277.A NZ GLU 199.A OE1 no hydrogen 2.707 N/A LYS 279.A N LYS 276.A O no hydrogen 3.044 N/A ARG 280.A N LYS 277.A O no hydrogen 3.351 N/A ARG 280.A NE HIS 274.A O no hydrogen 2.779 N/A ARG 280.A NH1 GLU 194.A OE1 no hydrogen 3.526 N/A ARG 280.A NH1 GLU 194.A OE2 no hydrogen 2.770 N/A ARG 280.A NH1 LYS 203.A O no hydrogen 2.873 N/A ARG 280.A NH2 GLU 194.A OE1 no hydrogen 2.877 N/A ARG 280.A NH2 HIS 274.A O no hydrogen 3.321 N/A ARG 280.A NH2 GLU 275.A O no hydrogen 3.289 N/A LYS 284.A NZ GLN 287.A OE1 no hydrogen 2.773 N/A LYS 285.A N ASP 282.A OD1 no hydrogen 3.026 N/A VAL 286.A N ASP 282.A O no hydrogen 3.150 N/A GLN 287.A N ILE 283.A O no hydrogen 2.892 N/A GLN 287.A NE2 ASN 136.A OD1 no hydrogen 2.818 N/A GLN 288.A N LYS 284.A O no hydrogen 3.050 N/A LEU 289.A N LYS 285.A O no hydrogen 2.912 N/A LEU 290.A N VAL 286.A O no hydrogen 2.938 N/A GLN 291.A N GLN 287.A O no hydrogen 3.023 N/A GLU 292.A N GLN 288.A O no hydrogen 3.004 N/A MET 293.A N LEU 289.A O no hydrogen 3.084 N/A THR 294.A N GLN 291.A O no hydrogen 3.242 N/A THR 294.A OG1 GLN 132.A OE1 no hydrogen 2.901 N/A THR 294.A OG1 GLN 291.A O no hydrogen 3.435 N/A ALA 295.A N GLU 292.A O no hydrogen 3.415 N/A