Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pci_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 100.A N TYR 261.A O no hydrogen 3.031 N/A TRP 102.A N VAL 259.A O no hydrogen 3.126 N/A TRP 102.A NE1 ILE 220.A O no hydrogen 3.032 N/A ARG 103.A N ASP 101.A OD1 no hydrogen 3.145 N/A ARG 103.A NE ASP 101.A OD1 no hydrogen 3.010 N/A ARG 103.A NH2 ASP 101.A OD2 no hydrogen 3.158 N/A LYS 104.A N ASP 101.A O no hydrogen 2.912 N/A ALA 107.A N TRP 102.A O no hydrogen 3.137 N/A THR 109.A OG1 GLU 130.A OE1 no hydrogen 2.828 N/A ARG 112.A NH1 GLU 130.A OE2 no hydrogen 3.498 N/A ARG 112.A NH1 GLU 145.A OE1 no hydrogen 3.152 N/A ARG 112.A NH1 GLU 145.A OE2 no hydrogen 2.876 N/A ARG 112.A NH2 GLU 130.A OE2 no hydrogen 2.907 N/A GLN 114.A N SER 275.A O no hydrogen 2.981 N/A GLN 114.A NE2 CYS 117.A O no hydrogen 2.766 N/A CYS 117.A SG SER 119.A OG no hydrogen 3.509 N/A SER 119.A N CYS 117.A O no hydrogen 2.807 N/A SER 119.A OG CYS 117.A O no hydrogen 3.397 N/A SER 119.A OG TYR 183.A OH no hydrogen 3.062 N/A CYS 120.A SG GLY 73P.A O no hydrogen 2.844 N/A TRP 121.A NE1 GLY 157.A O no hydrogen 3.254 N/A PHE 123.A N SER 119.A O no hydrogen 3.341 N/A SER 124.A N CYS 120.A O no hydrogen 2.900 N/A SER 124.A OG SER 226.A OG no hydrogen 2.889 N/A SER 124.A OG VAL 256.A O no hydrogen 3.154 N/A ALA 125.A N TRP 121.A O no hydrogen 3.282 N/A VAL 126.A N ALA 122.A O no hydrogen 3.008 N/A ALA 127.A N PHE 123.A O no hydrogen 3.157 N/A THR 128.A N SER 124.A O no hydrogen 3.214 N/A THR 128.A OG1 ALA 125.A O no hydrogen 2.564 N/A VAL 129.A N ALA 125.A O no hydrogen 3.039 N/A GLU 130.A N VAL 126.A O no hydrogen 2.840 N/A GLY 131.A N ALA 127.A O no hydrogen 2.999 N/A ILE 132.A N THR 128.A O no hydrogen 3.119 N/A ASN 133.A N VAL 129.A O no hydrogen 2.931 N/A LYS 134.A N GLU 130.A O no hydrogen 3.301 N/A ILE 135.A N GLY 131.A O no hydrogen 3.013 N/A ARG 136.A N ASN 133.A O no hydrogen 2.844 N/A ARG 136.A NE LYS 310.A O no hydrogen 3.294 N/A ARG 136.A NH2 LYS 310.A O no hydrogen 3.209 N/A THR 137.A N ASN 133.A O no hydrogen 2.779 N/A GLY 138.A N LYS 134.A O no hydrogen 2.641 N/A LEU 143.A N GLU 130.A OE2 no hydrogen 3.221 N/A SER 144.A N HIS 176.A O no hydrogen 3.145 N/A SER 144.A OG TYR 181.A O no hydrogen 2.501 N/A GLN 146.A NE2 ASP 150.A OD1 no hydrogen 2.900 N/A GLN 146.A NE2 ASP 150.A OD2 no hydrogen 3.196 N/A GLN 146.A NE2 LYS 186.A O no hydrogen 3.387 N/A GLU 147.A N SER 144.A OG no hydrogen 3.205 N/A VAL 149.A N GLU 145.A O no hydrogen 3.191 N/A ASP 150.A N GLN 146.A O no hydrogen 3.138 N/A CYS 151.A N GLU 147.A O no hydrogen 2.801 N/A CYS 151.A SG GLU 147.A O no hydrogen 3.280 N/A ARG 153.A NE ASP 150.A O no hydrogen 2.914 N/A ARG 153.A NH2 ASP 150.A O no hydrogen 3.033 N/A ARG 154.A N GLU 152.A OE1 no hydrogen 2.963 N/A SER 155.A OG GLU 152.A OE2 no hydrogen 2.616 N/A CYS 158.A SG ALA 185.A O no hydrogen 3.881 N/A LYS 159.A N HIS 156.A O no hydrogen 2.911 N/A GLY 160.A N GLY 157.A O no hydrogen 3.075 N/A ALA 166.A N TYR 162.A O no hydrogen 3.372 N/A LEU 167.A N PRO 163.A O no hydrogen 2.898 N/A GLU 168.A N PRO 164.A O no hydrogen 2.852 N/A TYR 169.A N TYR 165.A O no hydrogen 3.101 N/A TYR 169.A OH GLU 147.A OE2 no hydrogen 2.885 N/A VAL 170.A N LEU 167.A O no hydrogen 2.641 N/A ALA 171.A N LEU 167.A O no hydrogen 3.337 N/A LYS 172.A N GLU 168.A O no hydrogen 3.289 N/A ASN 173.A N TYR 169.A O no hydrogen 2.921 N/A GLY 174.A N VAL 170.A O no hydrogen 2.671 N/A HIS 176.A N GLU 147.A OE1 no hydrogen 3.102 N/A ARG 178.A N GLU 142.A O no hydrogen 2.662 N/A LYS 180.A N LEU 177.A O no hydrogen 2.800 N/A TYR 181.A N LEU 177.A O no hydrogen 2.910 N/A TYR 181.A OH ASP 150.A OD2 no hydrogen 2.868 N/A TYR 183.A OH GLN 114.A O no hydrogen 2.659 N/A TYR 183.A OH SER 119.A OG no hydrogen 3.062 N/A LYS 184.A N GLN 146.A OE1 no hydrogen 2.659 N/A GLY 188.A N ASP 150.A OD1 no hydrogen 3.012 N/A ARG 191.A N TYR 181.A OH no hydrogen 3.110 N/A VAL 200.A N ILE 175.A O no hydrogen 2.931 N/A THR 202.A OG1 THR 309.A O no hydrogen 2.819 N/A SER 203.A N THR 309.A O no hydrogen 3.312 N/A SER 203.A OG ASN 311.A OD1 no hydrogen 3.098 N/A GLY 206.A N TYR 307.A O no hydrogen 2.799 N/A VAL 208.A N SER 305.A O no hydrogen 3.163 N/A ASN 211.A N TYR 302.A O no hydrogen 3.348 N/A GLU 213.A N GLY 293.A O no hydrogen 2.816 N/A ASN 215.A N ASN 212.A OD1 no hydrogen 3.037 N/A LEU 217.A N GLU 213.A O no hydrogen 2.936 N/A ASN 218.A N GLY 214.A O no hydrogen 3.069 N/A ALA 219.A N ASN 215.A O no hydrogen 3.223 N/A ILE 220.A N LEU 216.A O no hydrogen 2.768 N/A ALA 221.A N LEU 217.A O no hydrogen 2.814 N/A LYS 222.A N ALA 219.A O no hydrogen 2.814 N/A GLN 223.A N ALA 219.A O no hydrogen 3.331 N/A GLN 223.A NE2 PRO 308.A O no hydrogen 3.339 N/A SER 226.A N TYR 306.A O no hydrogen 2.915 N/A SER 226.A OG SER 124.A OG no hydrogen 2.889 N/A VAL 227.A N VAL 256.A O no hydrogen 2.986 N/A VAL 229.A N GLY 254.A O no hydrogen 3.135 N/A GLU 230.A N CYS 299.A O no hydrogen 3.095 N/A SER 231.A N ASP 253.A OD1 no hydrogen 2.730 N/A SER 231.A OG ASP 253.A OD1 no hydrogen 2.933 N/A LYS 232.A NZ GLU 230.A OE1 no hydrogen 3.454 N/A ARG 234.A NH2 ASP 37P.A OD2 no hydrogen 3.290 N/A ARG 234.A NH2 ASN 38P.A OD1 no hydrogen 3.291 N/A GLN 237.A N GLY 233.A O no hydrogen 3.064 N/A GLN 237.A NE2 PHE 59P.A O no hydrogen 3.114 N/A GLN 237.A NE2 LEU 62P.A O no hydrogen 3.201 N/A LEU 238.A N ARG 234.A O no hydrogen 3.118 N/A TYR 239.A N PHE 236.A O no hydrogen 3.297 N/A TYR 239.A OH GLY 242.A O no hydrogen 2.975 N/A LYS 240.A N TRP 53P.A O no hydrogen 3.065 N/A GLY 241.A N TRP 53P.A O no hydrogen 3.306 N/A GLY 242.A N GLU 282.A OE2 no hydrogen 2.851 N/A ILE 243.A N SER 51P.A O no hydrogen 3.077 N/A PHE 244.A N ARG 287.A O no hydrogen 3.006 N/A GLY 249.A N GLU 230.A OE2 no hydrogen 3.017 N/A LYS 251.A N GLU 230.A OE1 no hydrogen 3.233 N/A VAL 252.A N THR 250.A O no hydrogen 2.994 N/A ASP 253.A N VAL 229.A O no hydrogen 3.039 N/A GLY 254.A N VAL 229.A O no hydrogen 3.277 N/A VAL 256.A N VAL 227.A O no hydrogen 2.900 N/A THR 257.A N LYS 273.A O no hydrogen 3.195 N/A THR 257.A OG1 SER 124.A O no hydrogen 3.308 N/A ALA 258.A N VAL 225.A O no hydrogen 3.086 N/A VAL 259.A N LEU 271.A O no hydrogen 2.813 N/A TYR 261.A N VAL 100.A O no hydrogen 3.335 N/A TYR 261.A OH PRO 97.A O no hydrogen 3.404 N/A GLY 262.A N TYR 269.A O no hydrogen 3.016 N/A SER 264.A N LYS 267.A O no hydrogen 2.871 N/A LYS 267.A NZ GLU 245.A OE1 no hydrogen 2.839 N/A TYR 269.A N GLY 262.A O no hydrogen 2.928 N/A ILE 270.A N ILE 288.A O no hydrogen 2.988 N/A LEU 271.A N GLY 260.A O no hydrogen 2.695 N/A ILE 272.A N ILE 286.A O no hydrogen 2.964 N/A LYS 273.A N THR 257.A O no hydrogen 2.829 N/A LYS 273.A NZ THR 109.A O no hydrogen 2.817 N/A LYS 273.A NZ PRO 110.A O no hydrogen 3.140 N/A ASN 274.A N GLY 284.A O no hydrogen 3.391 N/A SER 275.A N ASN 274.A OD1 no hydrogen 2.635 N/A GLY 277.A N ARG 112.A O no hydrogen 3.029 N/A TRP 280.A NE1 PHE 236.A O no hydrogen 3.154 N/A GLY 281.A N TYR 239.A O no hydrogen 3.372 N/A GLU 282.A N TYR 285.A O no hydrogen 2.845 N/A LYS 283.A N GLY 281.A O no hydrogen 3.076 N/A GLY 284.A N TRP 280.A O no hydrogen 2.979 N/A TYR 285.A N GLU 282.A O no hydrogen 3.073 N/A ILE 286.A N ILE 272.A O no hydrogen 3.049 N/A ARG 287.A NE GLU 282.A OE1 no hydrogen 3.092 N/A ARG 287.A NE GLU 282.A OE2 no hydrogen 3.474 N/A ARG 287.A NH2 GLU 282.A OE2 no hydrogen 2.915 N/A ILE 288.A N ILE 270.A O no hydrogen 2.987 N/A LYS 289.A N PHE 244.A O no hydrogen 3.099 N/A ARG 290.A N GLY 268.A O no hydrogen 3.085 N/A GLY 293.A N GLU 213.A OE2 no hydrogen 2.826 N/A ASN 294.A ND2 GLY 293.A O no hydrogen 3.239 N/A SER 295.A N ASN 211.A O no hydrogen 3.144 N/A GLY 297.A N SER 295.A OG no hydrogen 3.225 N/A GLY 300.A N GLY 297.A O no hydrogen 3.282 N/A LEU 301.A N VAL 298.A O no hydrogen 3.023 N/A TYR 302.A N PRO 296.A O no hydrogen 2.586 N/A TYR 302.A OH ALA 291.A O no hydrogen 2.296 N/A LYS 303.A N GLY 300.A O no hydrogen 3.308 N/A LYS 303.A NZ THR 250.A O no hydrogen 3.393 N/A TYR 306.A N SER 226.A O no hydrogen 3.038 N/A TYR 307.A N GLY 206.A O no hydrogen 3.016 N/A TYR 307.A OH GLU 86P.A OE1 no hydrogen 3.292 N/A THR 309.A OG1 SER 203.A O no hydrogen 2.902 N/A LYS 310.A NZ LYS 201.A O no hydrogen 2.959 N/A GLU 5P.A N THR 2P.A O no hydrogen 2.816 N/A LEU 7P.A N SER 3P.A O no hydrogen 2.808 N/A ILE 8P.A N THR 4P.A O no hydrogen 2.921 N/A GLN 9P.A N GLU 5P.A O no hydrogen 2.841 N/A LEU 10P.A N ARG 6P.A O no hydrogen 2.803 N/A PHE 11P.A N LEU 7P.A O no hydrogen 2.711 N/A ASN 12P.A N ILE 8P.A O no hydrogen 2.924 N/A ASN 12P.A ND2 ILE 8P.A O no hydrogen 2.816 N/A SER 13P.A N GLN 9P.A O no hydrogen 3.382 N/A SER 13P.A N LEU 10P.A O no hydrogen 3.045 N/A SER 13P.A OG GLN 9P.A O no hydrogen 3.223 N/A SER 13P.A OG LEU 10P.A O no hydrogen 3.135 N/A TRP 14P.A N LEU 10P.A O no hydrogen 3.202 N/A TRP 14P.A NE1 LEU 56P.A O no hydrogen 2.982 N/A TRP 14P.A NE1 ASN 57P.A O no hydrogen 3.109 N/A MET 15P.A N PHE 11P.A O no hydrogen 2.868 N/A LEU 16P.A N ASN 12P.A O no hydrogen 3.424 N/A ASN 17P.A N SER 13P.A O no hydrogen 2.765 N/A HIS 18P.A N MET 15P.A O no hydrogen 3.099 N/A HIS 18P.A ND1 TRP 14P.A O no hydrogen 2.795 N/A ASN 19P.A N LEU 16P.A O no hydrogen 3.192 N/A LYS 20P.A N MET 15P.A O no hydrogen 3.070 N/A LYS 20P.A NZ ASP 61P.A OD2 no hydrogen 3.334 N/A TYR 22P.A OH ASP 61P.A OD1 no hydrogen 2.651 N/A GLU 23P.A N GLU 23P.A OE1 no hydrogen 2.636 N/A ASN 24P.A N GLU 23P.A OE1 no hydrogen 3.290 N/A GLU 27P.A N ASN 24P.A OD1 no hydrogen 2.856 N/A LYS 28P.A NZ ASN 12P.A OD1 no hydrogen 3.193 N/A LEU 29P.A N VAL 25P.A O no hydrogen 3.197 N/A TYR 30P.A N ASP 26P.A O no hydrogen 3.015 N/A ARG 31P.A N GLU 27P.A O no hydrogen 2.706 N/A ARG 31P.A NE GLU 27P.A OE2 no hydrogen 3.090 N/A ARG 31P.A NH1 ASP 61P.A O no hydrogen 3.242 N/A ARG 31P.A NH1 GLU 66P.A OE1 no hydrogen 3.481 N/A ARG 31P.A NH1 GLU 66P.A OE2 no hydrogen 3.058 N/A ARG 31P.A NH2 GLU 27P.A OE2 no hydrogen 3.493 N/A ARG 31P.A NH2 GLU 66P.A OE2 no hydrogen 2.763 N/A PHE 32P.A N LYS 28P.A O no hydrogen 2.681 N/A GLU 33P.A N LEU 29P.A O no hydrogen 3.242 N/A ILE 34P.A N TYR 30P.A O no hydrogen 3.127 N/A PHE 35P.A N ARG 31P.A O no hydrogen 2.894 N/A LYS 36P.A N PHE 32P.A O no hydrogen 2.930 N/A ASP 37P.A N GLU 33P.A O no hydrogen 3.244 N/A ASN 38P.A N ILE 34P.A O no hydrogen 2.840 N/A ASN 38P.A ND2 ALA 60P.A O no hydrogen 2.451 N/A ASN 38P.A ND2 LEU 62P.A O no hydrogen 3.134 N/A LEU 39P.A N PHE 35P.A O no hydrogen 2.801 N/A ASN 40P.A N LYS 36P.A O no hydrogen 3.098 N/A TYR 41P.A N ASP 37P.A O no hydrogen 3.158 N/A ILE 42P.A N ASN 38P.A O no hydrogen 2.841 N/A ASP 43P.A N LEU 39P.A O no hydrogen 3.030 N/A ASP 43P.A N ASN 40P.A O no hydrogen 3.074 N/A GLU 44P.A N ASN 40P.A O no hydrogen 3.037 N/A THR 45P.A N TYR 41P.A O no hydrogen 3.102 N/A ASN 46P.A N ILE 42P.A O no hydrogen 3.073 N/A ASN 46P.A ND2 LEU 54P.A O no hydrogen 3.088 N/A LYS 47P.A N ASP 43P.A O no hydrogen 2.961 N/A LYS 48P.A N THR 45P.A O no hydrogen 3.229 N/A ASN 49P.A N ASN 46P.A O no hydrogen 3.280 N/A ASN 50P.A ND2 THR 45P.A O no hydrogen 3.645 N/A SER 51P.A OG ILE 243.A O no hydrogen 3.301 N/A TRP 53P.A N GLY 241.A O no hydrogen 2.935 N/A LEU 54P.A N ASN 46P.A OD1 no hydrogen 3.071 N/A GLY 55P.A N LEU 238.A O no hydrogen 2.910 N/A ASN 57P.A N GLY 55P.A O no hydrogen 2.798 N/A ASN 57P.A ND2 GLN 237.A O no hydrogen 3.055 N/A ASN 57P.A ND2 TYR 239.A O no hydrogen 3.003 N/A GLU 58P.A N ALA 279.A O no hydrogen 3.324 N/A PHE 59P.A N ASN 57P.A OD1 no hydrogen 2.798 N/A ALA 60P.A N ASN 57P.A O no hydrogen 3.138 N/A LEU 62P.A N PHE 59P.A O no hydrogen 3.212 N/A SER 63P.A N GLU 66P.A OE1 no hydrogen 3.422 N/A SER 63P.A OG GLU 66P.A OE1 no hydrogen 3.317 N/A GLU 66P.A N SER 63P.A OG no hydrogen 3.167 N/A PHE 67P.A N SER 63P.A O no hydrogen 2.996 N/A ASN 68P.A N ASN 64P.A O no hydrogen 3.075 N/A ASN 68P.A ND2 ASN 64P.A O no hydrogen 2.836 N/A GLU 69P.A N ASP 65P.A O no hydrogen 3.128 N/A TYR 71P.A N PHE 67P.A O no hydrogen 2.972 N/A ILE 76P.A N GLY 161.A O no hydrogen 3.091 N/A GLN 82P.A N TYR 84P.A OH no hydrogen 3.314 N/A PHE 88P.A N ARG 207.A O no hydrogen 2.901 N/A ASN 90P.A ND2 PHE 88P.A O no hydrogen 2.910 N/A