Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s5n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N GLN 186.A OE1 no hydrogen 2.835 N/A ALA 4.A N ASP 2.A OD2 no hydrogen 3.127 N/A GLY 5.A N VAL 204.A O no hydrogen 2.918 N/A TYR 7.A N GLY 206.A O no hydrogen 2.898 N/A TYR 7.A OH ILE 3.A O no hydrogen 2.506 N/A VAL 10.A N VAL 41.A O no hydrogen 2.800 N/A THR 12.A OG1 GLY 47.A O no hydrogen 2.674 N/A THR 15.A N GLU 19.A O no hydrogen 2.735 N/A THR 15.A OG1 THR 17.A OG1 no hydrogen 3.052 N/A THR 17.A N THR 15.A OG1 no hydrogen 3.203 N/A THR 17.A OG1 THR 15.A OG1 no hydrogen 3.052 N/A ALA 18.A N THR 15.A O no hydrogen 2.799 N/A GLU 19.A N THR 15.A OG1 no hydrogen 3.208 N/A ASP 21.A N PRO 13.A O no hydrogen 2.860 N/A LYS 24.A N ASP 21.A OD1 no hydrogen 3.019 N/A LEU 25.A N ASP 21.A O no hydrogen 3.104 N/A GLU 26.A N TYR 22.A O no hydrogen 3.044 N/A GLU 27.A N GLY 23.A O no hydrogen 2.944 N/A ASN 28.A N LYS 24.A O no hydrogen 2.815 N/A ASN 28.A ND2 TYR 266.A O no hydrogen 2.839 N/A LEU 29.A N LEU 25.A O no hydrogen 2.937 N/A HIS 30.A N GLU 26.A O no hydrogen 3.026 N/A LYS 31.A N GLU 27.A O no hydrogen 3.131 N/A LYS 31.A NZ GLY 264.A O no hydrogen 3.055 N/A LEU 32.A N ASN 28.A O no hydrogen 2.861 N/A GLY 33.A N LEU 29.A O no hydrogen 2.918 N/A GLY 33.A N HIS 30.A O no hydrogen 3.316 N/A THR 34.A N LYS 31.A O no hydrogen 3.279 N/A PHE 35.A N LEU 32.A O no hydrogen 3.173 N/A PHE 37.A N PHE 35.A O no hydrogen 2.686 N/A ARG 38.A N ILE 6.A O no hydrogen 2.945 N/A ARG 38.A NH1 ARG 38.A O no hydrogen 3.483 N/A ARG 38.A NH1 ASN 71.A O no hydrogen 3.246 N/A ARG 38.A NH2 ASP 2.A O no hydrogen 3.214 N/A PHE 40.A N LEU 73.A O no hydrogen 2.930 N/A VAL 41.A N PRO 8.A O no hydrogen 3.143 N/A VAL 42.A N LEU 75.A O no hydrogen 2.821 N/A GLN 43.A NE2 ARG 57.A O no hydrogen 2.723 N/A SER 45.A OG TYR 136.A OH no hydrogen 2.738 N/A SER 45.A OG ASN 141.A OD1 no hydrogen 3.163 N/A GLY 47.A N GLY 44.A O no hydrogen 3.007 N/A GLU 48.A N SER 45.A O no hydrogen 3.244 N/A PHE 51.A N GLU 48.A O no hydrogen 2.820 N/A LEU 52.A N PHE 49.A O no hydrogen 3.089 N/A THR 53.A N GLU 56.A OE1 no hydrogen 2.982 N/A GLU 56.A N THR 53.A OG1 no hydrogen 3.059 N/A ARG 57.A N THR 53.A O no hydrogen 2.929 N/A ARG 57.A NE GLN 43.A OE1 no hydrogen 2.753 N/A ARG 57.A NH1 GLY 79.A O no hydrogen 3.457 N/A ARG 57.A NH2 GLY 77.A O no hydrogen 2.652 N/A ARG 57.A NH2 GLY 79.A O no hydrogen 3.332 N/A LEU 58.A N SER 54.A O no hydrogen 3.087 N/A GLU 59.A N SER 55.A O no hydrogen 2.899 N/A VAL 60.A N GLU 56.A O no hydrogen 2.741 N/A VAL 61.A N ARG 57.A O no hydrogen 3.338 N/A SER 62.A N LEU 58.A O no hydrogen 3.041 N/A SER 62.A OG GLN 66.A OE1 no hydrogen 3.037 N/A ARG 63.A N GLU 59.A O no hydrogen 2.942 N/A VAL 64.A N VAL 60.A O no hydrogen 2.975 N/A ARG 65.A N VAL 61.A O no hydrogen 3.037 N/A ARG 65.A NE ARG 65.A O no hydrogen 3.461 N/A ARG 65.A NH1 GLY 97.A O no hydrogen 2.987 N/A ARG 65.A NH1 ASP 99.A OD2 no hydrogen 2.766 N/A ARG 65.A NH2 PRO 69.A O no hydrogen 3.224 N/A ARG 65.A NH2 ARG 72.A O no hydrogen 3.034 N/A GLN 66.A N SER 62.A O no hydrogen 3.064 N/A ALA 67.A N ARG 63.A O no hydrogen 3.062 N/A ALA 67.A N VAL 64.A O no hydrogen 2.891 N/A MET 68.A N ARG 65.A O no hydrogen 3.195 N/A ARG 72.A N PRO 69.A O no hydrogen 3.126 N/A ARG 72.A NH1 PHE 35.A O no hydrogen 2.929 N/A ARG 72.A NH2 PHE 35.A O no hydrogen 2.874 N/A LEU 73.A N ARG 38.A O no hydrogen 2.869 N/A LEU 74.A N ASP 99.A OD2 no hydrogen 2.777 N/A LEU 75.A N PHE 40.A O no hydrogen 2.913 N/A ALA 76.A N ALA 100.A O no hydrogen 2.896 N/A GLY 77.A N VAL 42.A O no hydrogen 2.682 N/A SER 78.A N MET 102.A O no hydrogen 3.201 N/A SER 78.A OG THR 90.A OG1 no hydrogen 2.711 N/A CYS 80.A N THR 86.A OG1 no hydrogen 2.964 N/A CYS 80.A SG SER 78.A O no hydrogen 3.797 N/A THR 83.A OG1 HIS 121.A ND1 no hydrogen 2.813 N/A GLN 84.A NE2 GLU 88.A OE2 no hydrogen 2.633 N/A ALA 85.A N SER 82.A OG no hydrogen 2.987 N/A THR 86.A N SER 82.A O no hydrogen 3.050 N/A THR 86.A OG1 SER 82.A O no hydrogen 2.869 N/A VAL 87.A N THR 83.A O no hydrogen 3.085 N/A GLU 88.A N GLN 84.A O no hydrogen 3.148 N/A MET 89.A N ALA 85.A O no hydrogen 2.904 N/A THR 90.A N THR 86.A O no hydrogen 2.793 N/A THR 90.A OG1 SER 78.A OG no hydrogen 2.711 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.975 N/A VAL 91.A N VAL 87.A O no hydrogen 2.876 N/A SER 92.A N GLU 88.A O no hydrogen 3.057 N/A SER 92.A OG GLU 88.A O no hydrogen 2.599 N/A MET 93.A N MET 89.A O no hydrogen 2.937 N/A ALA 94.A N THR 90.A O no hydrogen 2.940 N/A GLN 95.A N VAL 91.A O no hydrogen 3.101 N/A VAL 96.A N SER 92.A O no hydrogen 3.280 N/A GLY 97.A N ALA 94.A O no hydrogen 3.026 N/A ALA 98.A N MET 93.A O no hydrogen 3.096 N/A ASP 99.A N LEU 74.A O no hydrogen 2.826 N/A ALA 100.A N LEU 74.A O no hydrogen 3.364 N/A ALA 101.A N PRO 132.A O no hydrogen 2.905 N/A MET 102.A N ALA 76.A O no hydrogen 2.695 N/A VAL 103.A N VAL 134.A O no hydrogen 2.937 N/A THR 105.A N TYR 136.A O no hydrogen 3.226 N/A CYS 107.A N GLU 81.A OE2 no hydrogen 3.013 N/A CYS 107.A SG GLU 81.A OE2 no hydrogen 3.725 N/A TYR 108.A N GLU 81.A OE1 no hydrogen 3.347 N/A TYR 108.A N GLU 81.A OE2 no hydrogen 3.162 N/A ARG 110.A NH1 CYS 107.A O no hydrogen 3.225 N/A ARG 112.A N TYR 109.A O no hydrogen 2.780 N/A MET 113.A N ARG 110.A O no hydrogen 2.627 N/A SER 115.A OG ASP 149.A OD1 no hydrogen 3.158 N/A SER 115.A OG ASP 149.A OD2 no hydrogen 3.527 N/A ALA 117.A N SER 114.A OG no hydrogen 3.310 N/A LEU 118.A N SER 114.A O no hydrogen 2.934 N/A ILE 119.A N SER 115.A O no hydrogen 2.630 N/A HIS 120.A N ALA 116.A O no hydrogen 2.945 N/A HIS 121.A N ALA 117.A O no hydrogen 2.960 N/A HIS 121.A ND1 THR 83.A OG1 no hydrogen 2.813 N/A TYR 122.A N LEU 118.A O no hydrogen 2.971 N/A TYR 122.A OH VAL 103.A O no hydrogen 2.694 N/A THR 123.A N ILE 119.A O no hydrogen 2.823 N/A THR 123.A OG1 ILE 119.A O no hydrogen 2.684 N/A LYS 124.A N HIS 120.A O no hydrogen 2.971 N/A VAL 125.A N HIS 121.A O no hydrogen 3.109 N/A ALA 126.A N TYR 122.A O no hydrogen 2.849 N/A ASP 127.A N THR 123.A O no hydrogen 2.744 N/A LEU 128.A N LYS 124.A O no hydrogen 3.083 N/A LEU 128.A N VAL 125.A O no hydrogen 3.300 N/A SER 129.A OG ILE 131.A O no hydrogen 2.606 N/A ILE 131.A N SER 129.A OG no hydrogen 3.179 N/A VAL 133.A N ASN 159.A O no hydrogen 2.755 N/A VAL 134.A N ALA 101.A O no hydrogen 2.742 N/A LEU 135.A N GLY 162.A O no hydrogen 2.844 N/A TYR 136.A N VAL 103.A O no hydrogen 3.167 N/A TYR 136.A OH SER 45.A OG no hydrogen 2.738 N/A SER 137.A N LYS 164.A O no hydrogen 3.091 N/A ASN 141.A N VAL 138.A O no hydrogen 3.090 N/A THR 142.A N VAL 138.A O no hydrogen 3.116 N/A THR 142.A OG1 VAL 138.A O no hydrogen 3.099 N/A THR 142.A OG1 LEU 144.A O no hydrogen 2.940 N/A GLY 143.A N PRO 139.A O no hydrogen 2.616 N/A LEU 144.A N THR 142.A OG1 no hydrogen 3.132 N/A LEU 146.A N SER 137.A OG no hydrogen 3.113 N/A VAL 151.A N PRO 147.A O no hydrogen 3.064 N/A VAL 152.A N VAL 148.A O no hydrogen 2.823 N/A THR 153.A N ASP 149.A O no hydrogen 3.036 N/A THR 153.A OG1 ASP 149.A O no hydrogen 3.079 N/A LEU 154.A N ALA 150.A O no hydrogen 2.796 N/A SER 155.A N VAL 151.A O no hydrogen 2.871 N/A SER 155.A N VAL 152.A O no hydrogen 3.245 N/A SER 155.A OG VAL 152.A O no hydrogen 2.754 N/A GLN 156.A N THR 153.A O no hydrogen 3.296 N/A HIS 157.A N LEU 154.A O no hydrogen 2.994 N/A HIS 157.A NE2 ASP 127.A OD1 no hydrogen 2.872 N/A ASN 159.A N HIS 157.A ND1 no hydrogen 2.805 N/A ASN 159.A ND2 ALA 126.A O no hydrogen 3.002 N/A ASN 159.A ND2 SER 129.A O no hydrogen 3.155 N/A ASN 159.A ND2 ILE 131.A O no hydrogen 3.138 N/A ILE 160.A N HIS 157.A O no hydrogen 3.379 N/A VAL 161.A N VAL 133.A O no hydrogen 2.847 N/A MET 163.A N GLN 186.A O no hydrogen 3.077 N/A LYS 164.A N LEU 135.A O no hydrogen 2.793 N/A LYS 164.A NZ TYR 136.A OH no hydrogen 3.526 N/A ASP 165.A N LEU 188.A O no hydrogen 3.082 N/A SER 166.A N SER 137.A O no hydrogen 2.771 N/A ARG 172.A N ASP 169.A OD1 no hydrogen 3.214 N/A ARG 172.A NE ASP 165.A OD1 no hydrogen 3.558 N/A ARG 172.A NE ASP 165.A OD2 no hydrogen 3.011 N/A ARG 172.A NH1 LEU 146.A O no hydrogen 2.696 N/A ARG 172.A NH2 LEU 146.A O no hydrogen 2.712 N/A ARG 172.A NH2 ASP 165.A OD2 no hydrogen 2.970 N/A ILE 173.A N ASP 169.A O no hydrogen 3.062 N/A GLY 174.A N VAL 170.A O no hydrogen 2.770 N/A LEU 175.A N THR 171.A O no hydrogen 2.890 N/A ILE 176.A N ARG 172.A O no hydrogen 2.912 N/A VAL 177.A N ILE 173.A O no hydrogen 2.938 N/A HIS 178.A N GLY 174.A O no hydrogen 2.903 N/A LYS 179.A N LEU 175.A O no hydrogen 2.764 N/A THR 180.A N ILE 176.A O no hydrogen 3.010 N/A THR 180.A N VAL 177.A O no hydrogen 3.292 N/A THR 180.A OG1 ILE 176.A O no hydrogen 2.804 N/A THR 180.A OG1 VAL 177.A O no hydrogen 3.486 N/A ARG 181.A N HIS 178.A O no hydrogen 3.122 N/A ARG 181.A NH1 HIS 178.A O no hydrogen 2.944 N/A GLN 183.A N THR 180.A O no hydrogen 2.808 N/A GLN 186.A N VAL 161.A O no hydrogen 2.958 N/A GLN 186.A NE2 ASP 2.A OD2 no hydrogen 2.849 N/A LEU 188.A N MET 163.A O no hydrogen 2.795 N/A ALA 189.A N GLY 205.A O no hydrogen 2.770 N/A GLY 193.A N SER 191.A OG no hydrogen 3.254 N/A PHE 194.A N SER 191.A O no hydrogen 3.464 N/A MET 196.A N GLN 237.A OE1 no hydrogen 3.039 N/A SER 198.A N PHE 194.A O no hydrogen 3.135 N/A SER 198.A OG PHE 194.A O no hydrogen 2.693 N/A TYR 199.A N LEU 195.A O no hydrogen 2.970 N/A TYR 199.A OH GLU 222.A OE2 no hydrogen 2.856 N/A ALA 200.A N MET 196.A O no hydrogen 2.951 N/A LEU 201.A N ALA 197.A O no hydrogen 2.998 N/A GLY 202.A N TYR 199.A O no hydrogen 2.989 N/A ALA 203.A N SER 198.A O no hydrogen 2.747 N/A VAL 204.A N VAL 187.A O no hydrogen 2.902 N/A GLY 206.A N GLY 5.A O no hydrogen 3.054 N/A VAL 207.A N ALA 189.A O no hydrogen 2.912 N/A CYS 208.A N TYR 7.A O no hydrogen 2.916 N/A ALA 211.A N CYS 208.A O no hydrogen 2.970 N/A ASN 212.A N ALA 209.A O no hydrogen 3.098 N/A ASN 212.A ND2 PRO 9.A O no hydrogen 3.034 N/A ASN 212.A ND2 ALA 209.A O no hydrogen 2.893 N/A VAL 213.A N LEU 210.A O no hydrogen 3.134 N/A LEU 214.A N LEU 210.A O no hydrogen 2.847 N/A GLN 217.A N GLN 217.A OE1 no hydrogen 2.745 N/A VAL 218.A N LEU 214.A O no hydrogen 3.022 N/A CYS 219.A N GLY 215.A O no hydrogen 2.916 N/A CYS 219.A SG GLY 215.A O no hydrogen 3.214 N/A GLN 220.A N ALA 216.A O no hydrogen 2.755 N/A LEU 221.A N GLN 217.A O no hydrogen 2.855 N/A GLU 222.A N VAL 218.A O no hydrogen 3.020 N/A ARG 223.A N CYS 219.A O no hydrogen 2.962 N/A ARG 223.A NE GLN 220.A OE1 no hydrogen 3.164 N/A ARG 223.A NH1 GLN 220.A OE1 no hydrogen 2.720 N/A LEU 224.A N GLN 220.A O no hydrogen 2.840 N/A CYS 225.A N LEU 221.A O no hydrogen 3.063 N/A CYS 225.A SG LEU 221.A O no hydrogen 3.396 N/A CYS 226.A N GLU 222.A O no hydrogen 2.975 N/A CYS 226.A SG GLU 222.A O no hydrogen 3.319 N/A GLY 228.A N CYS 225.A O no hydrogen 3.478 N/A GLN 229.A N LEU 224.A O no hydrogen 2.794 N/A TRP 230.A N GLY 228.A O no hydrogen 2.917 N/A ALA 233.A N GLN 229.A O no hydrogen 2.814 N/A GLN 234.A N TRP 230.A O no hydrogen 2.867 N/A LYS 235.A N GLU 231.A O no hydrogen 3.354 N/A LEU 236.A N ASP 232.A O no hydrogen 2.985 N/A GLN 237.A N ALA 233.A O no hydrogen 2.710 N/A GLN 237.A NE2 ALA 192.A O no hydrogen 2.873 N/A GLN 237.A NE2 GLN 237.A O no hydrogen 2.791 N/A HIS 238.A N GLN 234.A O no hydrogen 2.916 N/A ARG 239.A N LYS 235.A O no hydrogen 3.389 N/A ARG 239.A NE ASN 292.A O no hydrogen 3.082 N/A ARG 239.A NH2 ASN 292.A O no hydrogen 2.844 N/A LEU 240.A N GLN 237.A O no hydrogen 2.948 N/A ILE 241.A N HIS 238.A O no hydrogen 3.380 N/A ASN 244.A N LEU 240.A O no hydrogen 2.910 N/A ASN 244.A ND2 SER 191.A OG no hydrogen 3.289 N/A ALA 245.A N ILE 241.A O no hydrogen 2.919 N/A ALA 246.A N GLU 242.A O no hydrogen 2.740 N/A VAL 247.A N PRO 243.A O no hydrogen 3.242 N/A THR 248.A N ALA 245.A O no hydrogen 3.134 N/A THR 248.A OG1 ASN 244.A O no hydrogen 2.704 N/A THR 248.A OG1 ALA 245.A O no hydrogen 3.507 N/A ARG 249.A N THR 248.A OG1 no hydrogen 2.726 N/A ARG 250.A N ALA 245.A O no hydrogen 2.939 N/A ARG 250.A NH1 ASP 288.A OD2 no hydrogen 2.691 N/A PHE 251.A N ALA 246.A O no hydrogen 3.053 N/A GLY 252.A N THR 248.A O no hydrogen 2.943 N/A GLY 255.A N PHE 251.A O no hydrogen 3.002 N/A LEU 256.A N GLY 252.A O no hydrogen 2.938 N/A LYS 257.A N ILE 253.A O no hydrogen 2.836 N/A LYS 257.A NZ THR 12.A O no hydrogen 2.795 N/A LYS 257.A NZ GLU 48.A OE2 no hydrogen 2.803 N/A LYS 257.A NZ PRO 269.A O no hydrogen 3.056 N/A LYS 258.A N PRO 254.A O no hydrogen 2.998 N/A LYS 258.A NZ GLU 282.A OE1 no hydrogen 2.891 N/A ILE 259.A N GLY 255.A O no hydrogen 3.021 N/A MET 260.A N LEU 256.A O no hydrogen 2.919 N/A ASP 261.A N LYS 257.A O no hydrogen 2.961 N/A TRP 262.A N LYS 258.A O no hydrogen 3.101 N/A PHE 263.A N ILE 259.A O no hydrogen 2.974 N/A PHE 263.A N MET 260.A O no hydrogen 3.246 N/A GLY 264.A N ASP 261.A O no hydrogen 2.897 N/A TYR 265.A N MET 260.A O no hydrogen 2.804 N/A TYR 266.A N ASN 28.A OD1 no hydrogen 2.895 N/A TYR 266.A OH PHE 14.A O no hydrogen 2.768 N/A GLY 267.A N ASP 261.A OD1 no hydrogen 2.835 N/A GLY 268.A N ASP 261.A OD1 no hydrogen 2.938 N/A CYS 270.A SG GLU 48.A OE2 no hydrogen 3.903 N/A ARG 271.A N GLU 48.A OE1 no hydrogen 2.920 N/A ARG 271.A NE ALA 18.A O no hydrogen 2.895 N/A ARG 271.A NH1 PHE 51.A O no hydrogen 2.901 N/A ARG 271.A NH1 GLU 56.A OE1 no hydrogen 3.042 N/A ARG 271.A NH2 ALA 18.A O no hydrogen 2.894 N/A ARG 271.A NH2 GLU 56.A OE2 no hydrogen 2.938 N/A LEU 274.A N ARG 271.A O no hydrogen 2.997 N/A SER 278.A N GLU 281.A OE1 no hydrogen 2.678 N/A SER 278.A OG GLU 281.A OE1 no hydrogen 3.329 N/A GLU 281.A N SER 278.A OG no hydrogen 3.313 N/A GLU 282.A N SER 278.A O no hydrogen 2.971 N/A GLU 283.A N PRO 279.A O no hydrogen 2.909 N/A ALA 284.A N ALA 280.A O no hydrogen 3.045 N/A LEU 285.A N GLU 281.A O no hydrogen 2.812 N/A ARG 286.A N GLU 282.A O no hydrogen 2.888 N/A ARG 286.A NH2 GLU 283.A OE1 no hydrogen 2.713 N/A MET 287.A N GLU 283.A O no hydrogen 2.968 N/A ASP 288.A N ALA 284.A O no hydrogen 3.094 N/A PHE 289.A N ARG 286.A O no hydrogen 3.159 N/A THR 290.A N ARG 286.A O no hydrogen 2.882 N/A THR 290.A OG1 ARG 286.A O no hydrogen 3.167 N/A THR 290.A OG1 MET 287.A O no hydrogen 3.520 N/A SER 291.A N MET 287.A O no hydrogen 2.896 N/A SER 291.A OG MET 287.A O no hydrogen 2.570 N/A ASN 292.A N PHE 289.A O no hydrogen 3.327 N/A ASN 292.A ND2 GLU 242.A OE1 no hydrogen 2.917 N/A ASN 292.A ND2 ASP 288.A O no hydrogen 2.963 N/A GLY 293.A N THR 290.A O no hydrogen 3.007 N/A TRP 294.A N PHE 289.A O no hydrogen 2.898 N/A TRP 294.A NE1 ARG 239.A O no hydrogen 2.896 N/A