Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pda_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 GLY 31.A O no hydrogen 3.068 N/A VAL 3.A N ASP 1.A OD1 no hydrogen 2.528 N/A LEU 4.A N VAL 33.A O no hydrogen 2.985 N/A ARG 5.A N ASP 65.A OD2 no hydrogen 2.824 N/A ARG 5.A NE ASP 65.A OD2 no hydrogen 3.107 N/A ARG 5.A NH1 ASN 62.A O no hydrogen 2.907 N/A ARG 5.A NH2 ASN 62.A O no hydrogen 3.241 N/A ARG 5.A NH2 ASN 62.A OD1 no hydrogen 3.064 N/A ARG 5.A NH2 ASP 65.A OD1 no hydrogen 2.885 N/A ILE 6.A N GLU 35.A O no hydrogen 2.768 N/A ALA 7.A N ILE 66.A O no hydrogen 2.852 N/A THR 8.A N VAL 37.A O no hydrogen 3.247 N/A THR 8.A OG1 ARG 9.A O no hydrogen 3.032 N/A THR 8.A OG1 ALA 14.A O no hydrogen 3.341 N/A ARG 9.A NE ASP 44.A OD1 no hydrogen 3.254 N/A ARG 9.A NE ASP 44.A OD2 no hydrogen 3.075 N/A ARG 9.A NH2 ASP 44.A OD1 no hydrogen 2.633 N/A ARG 9.A NH2 ASN 140.A OD1 no hydrogen 3.265 N/A ALA 14.A N SER 11.A OG no hydrogen 3.121 N/A LEU 15.A N SER 11.A O no hydrogen 2.968 N/A TRP 16.A N PRO 12.A O no hydrogen 2.997 N/A GLN 17.A N LEU 13.A O no hydrogen 3.061 N/A ALA 18.A N ALA 14.A O no hydrogen 3.054 N/A HIS 19.A N LEU 15.A O no hydrogen 2.980 N/A HIS 19.A ND1 LEU 15.A O no hydrogen 3.115 N/A TYR 20.A N TRP 16.A O no hydrogen 2.917 N/A VAL 21.A N GLN 17.A O no hydrogen 3.145 N/A LYS 22.A N ALA 18.A O no hydrogen 2.818 N/A ASP 23.A N HIS 19.A O no hydrogen 2.953 N/A LYS 24.A N TYR 20.A O no hydrogen 3.177 N/A LEU 25.A N VAL 21.A O no hydrogen 2.939 N/A MET 26.A N LYS 22.A O no hydrogen 3.004 N/A ALA 27.A N ASP 23.A O no hydrogen 2.882 N/A SER 28.A N LYS 24.A O no hydrogen 3.155 N/A SER 28.A OG LYS 24.A O no hydrogen 3.376 N/A HIS 29.A N LEU 25.A O no hydrogen 2.940 N/A HIS 29.A NE2 LEU 204.A O no hydrogen 2.725 N/A LEU 32.A N HIS 29.A O no hydrogen 3.106 N/A VAL 33.A N ASN 2.A O no hydrogen 3.019 N/A GLU 35.A N LEU 4.A O no hydrogen 3.015 N/A VAL 37.A N ILE 6.A O no hydrogen 2.757 N/A MET 39.A N THR 8.A O no hydrogen 2.810 N/A THR 41.A N ASP 44.A OD2 no hydrogen 3.068 N/A THR 41.A OG1 ASP 44.A OD2 no hydrogen 2.764 N/A THR 41.A OG1 LEU 50.A O no hydrogen 3.360 N/A ARG 42.A N GLU 54.A OE1 no hydrogen 3.360 N/A GLY 43.A N LEU 50.A O no hydrogen 2.811 N/A ASP 44.A N THR 41.A O no hydrogen 2.598 N/A VAL 45.A N THR 41.A O no hydrogen 3.344 N/A VAL 45.A N ARG 42.A O no hydrogen 2.893 N/A ILE 46.A N ARG 42.A O no hydrogen 3.203 N/A VAL 52.A N GLY 49.A O no hydrogen 3.164 N/A LYS 53.A N GLY 49.A O no hydrogen 3.000 N/A LYS 53.A NZ GLU 56.A OE1 no hydrogen 3.135 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.660 N/A GLU 56.A N VAL 52.A O no hydrogen 2.955 N/A VAL 57.A N LYS 53.A O no hydrogen 3.076 N/A ALA 58.A N GLU 54.A O no hydrogen 3.109 N/A LEU 59.A N LEU 55.A O no hydrogen 3.214 N/A LEU 60.A N GLU 56.A O no hydrogen 3.045 N/A GLU 61.A N VAL 57.A O no hydrogen 2.935 N/A ASN 62.A N LEU 59.A O no hydrogen 3.164 N/A ARG 63.A N ALA 58.A O no hydrogen 2.790 N/A ARG 63.A NH1 GLU 61.A OE2 no hydrogen 2.767 N/A ASP 65.A N ARG 5.A O no hydrogen 2.811 N/A ILE 66.A N ARG 5.A O no hydrogen 3.148 N/A ALA 67.A N GLU 193.A O no hydrogen 2.891 N/A VAL 68.A N ALA 7.A O no hydrogen 3.071 N/A HIS 69.A N GLY 191.A O no hydrogen 2.980 N/A HIS 69.A NE2 GLU 193.A OE1 no hydrogen 2.816 N/A SER 70.A OG GLN 17.A OE1 no hydrogen 2.800 N/A MET 71.A N ALA 189.A O no hydrogen 2.910 N/A LYS 72.A NZ GLN 187.A OE1 no hydrogen 2.934 N/A ASP 73.A N SER 70.A O no hydrogen 2.951 N/A VAL 74.A N MET 71.A O no hydrogen 3.175 N/A LEU 82.A N PRO 79.A O no hydrogen 3.268 N/A GLY 83.A N CYS 194.A O no hydrogen 3.145 N/A VAL 85.A N ILE 192.A O no hydrogen 2.902 N/A ILE 87.A N ASN 209.A OD1 no hydrogen 3.006 N/A CYS 88.A N VAL 190.A O no hydrogen 3.060 N/A CYS 88.A SG LEU 208.A O no hydrogen 4.003 N/A ARG 90.A N THR 213.A OG1 no hydrogen 2.999 N/A ARG 90.A NE GLN 187.A O no hydrogen 2.821 N/A ARG 90.A NH1 GLU 220.A OE2 no hydrogen 2.673 N/A ARG 90.A NH2 GLN 187.A O no hydrogen 2.954 N/A ARG 90.A NH2 GLU 220.A OE1 no hydrogen 3.453 N/A ARG 90.A NH2 GLU 220.A OE2 no hydrogen 3.396 N/A GLU 91.A N GLY 188.A O no hydrogen 3.091 N/A ASP 92.A N GLU 91.A OE2 no hydrogen 2.829 N/A ARG 94.A N ASP 92.A OD1 no hydrogen 3.045 N/A ARG 94.A NE ASP 92.A OD1 no hydrogen 2.897 N/A ARG 94.A NH2 ASP 92.A OD2 no hydrogen 2.794 N/A ALA 96.A N LEU 158.A O no hydrogen 2.711 N/A PHE 97.A N ALA 174.A O no hydrogen 2.843 N/A VAL 98.A N ILE 156.A O no hydrogen 3.023 N/A SER 99.A OG ASP 154.A O no hydrogen 2.636 N/A ASN 100.A ND2 ASP 149.A OD1 no hydrogen 2.881 N/A TYR 102.A N SER 99.A OG no hydrogen 3.283 N/A ALA 107.A N SER 104.A O no hydrogen 3.241 N/A ALA 107.A N SER 104.A OG no hydrogen 3.275 N/A LEU 108.A N LEU 105.A O no hydrogen 3.190 N/A GLY 111.A N ASP 131.A O no hydrogen 2.783 N/A SER 112.A N PRO 109.A O no hydrogen 3.212 N/A SER 112.A OG PRO 109.A O no hydrogen 2.912 N/A ILE 113.A N ASP 154.A OD2 no hydrogen 2.890 N/A VAL 114.A N ILE 133.A O no hydrogen 2.881 N/A GLY 115.A N ALA 155.A O no hydrogen 2.831 N/A THR 116.A N ARG 135.A O no hydrogen 3.113 N/A SER 117.A OG SER 136.A OG no hydrogen 2.567 N/A SER 118.A N THR 116.A OG1 no hydrogen 2.992 N/A ARG 120.A NH1 ASP 95.A OD2 no hydrogen 2.836 N/A ARG 120.A NH1 LEU 182.A O no hydrogen 2.889 N/A ARG 120.A NH2 ASP 95.A OD1 no hydrogen 3.390 N/A ARG 121.A N SER 118.A OG no hydrogen 3.065 N/A ARG 121.A NE ASP 95.A OD1 no hydrogen 3.171 N/A ARG 121.A NH2 ASP 95.A OD1 no hydrogen 2.747 N/A GLN 122.A N SER 118.A O no hydrogen 2.882 N/A CYS 123.A N LEU 119.A O no hydrogen 2.950 N/A CYS 123.A SG LEU 119.A O no hydrogen 3.591 N/A CYS 123.A SG ARG 120.A O no hydrogen 3.439 N/A GLN 124.A NE2 ARG 120.A O no hydrogen 3.172 N/A GLN 124.A NE2 LEU 182.A O no hydrogen 3.482 N/A LEU 125.A N ARG 121.A O no hydrogen 3.206 N/A ALA 126.A N GLN 122.A O no hydrogen 2.942 N/A GLU 127.A N CYS 123.A O no hydrogen 2.963 N/A ARG 129.A N LEU 125.A O no hydrogen 2.865 N/A ARG 129.A NE ASP 131.A OD1 no hydrogen 2.931 N/A ARG 129.A NH1 LEU 105.A O no hydrogen 3.057 N/A ARG 129.A NH2 LEU 108.A O no hydrogen 2.817 N/A ARG 129.A NH2 ASP 131.A OD2 no hydrogen 3.059 N/A LEU 132.A N ARG 129.A O no hydrogen 3.296 N/A ILE 133.A N SER 112.A O no hydrogen 2.896 N/A ARG 135.A N VAL 114.A O no hydrogen 2.949 N/A SER 136.A OG SER 117.A OG no hydrogen 2.567 N/A ARG 138.A NH2 GLY 43.A O no hydrogen 3.118 N/A ARG 144.A N ASN 140.A O no hydrogen 2.960 N/A ARG 144.A NE GLY 139.A O no hydrogen 2.896 N/A LEU 145.A N VAL 141.A O no hydrogen 2.993 N/A SER 146.A N GLY 142.A O no hydrogen 2.982 N/A SER 146.A OG GLY 142.A O no hydrogen 2.996 N/A LYS 147.A N THR 143.A O no hydrogen 3.176 N/A LEU 148.A N ARG 144.A O no hydrogen 3.146 N/A ASP 149.A N LEU 145.A O no hydrogen 3.016 N/A ASN 150.A N SER 146.A O no hydrogen 2.854 N/A GLY 151.A N LEU 148.A O no hydrogen 2.871 N/A GLU 152.A N LYS 147.A O no hydrogen 3.043 N/A TYR 153.A OH SER 136.A O no hydrogen 2.689 N/A ASP 154.A N ILE 113.A O no hydrogen 2.671 N/A ALA 155.A N ILE 113.A O no hydrogen 3.240 N/A ILE 156.A N VAL 98.A O no hydrogen 3.002 N/A ILE 157.A N GLY 115.A O no hydrogen 3.359 N/A LEU 158.A N ALA 96.A O no hydrogen 3.154 N/A VAL 160.A N ARG 94.A O no hydrogen 3.022 N/A LYS 164.A N VAL 160.A O no hydrogen 2.948 N/A LYS 164.A NZ GLU 91.A OE2 no hydrogen 2.887 N/A ARG 165.A N ALA 161.A O no hydrogen 2.971 N/A ARG 165.A NH2 GLY 188.A O no hydrogen 3.205 N/A LEU 166.A N GLY 162.A O no hydrogen 3.134 N/A GLY 167.A N LYS 164.A O no hydrogen 3.152 N/A LEU 168.A N LEU 163.A O no hydrogen 2.848 N/A ARG 171.A N LEU 168.A O no hydrogen 2.813 N/A ARG 171.A NH1 ASP 149.A OD1 no hydrogen 2.840 N/A ARG 171.A NH2 ASP 149.A OD2 no hydrogen 2.985 N/A ILE 172.A N GLU 169.A O no hydrogen 3.047 N/A ARG 173.A N PHE 97.A O no hydrogen 2.928 N/A ARG 173.A NE SER 99.A O no hydrogen 3.197 N/A ARG 173.A NE TYR 102.A O no hydrogen 3.146 N/A ARG 173.A NH2 TYR 102.A O no hydrogen 3.215 N/A ALA 174.A N PHE 97.A O no hydrogen 3.434 N/A LEU 176.A N ASP 95.A O no hydrogen 2.897 N/A ILE 180.A N PRO 177.A O no hydrogen 2.851 N/A SER 181.A N PRO 177.A O no hydrogen 3.058 N/A SER 181.A OG ASP 95.A OD2 no hydrogen 2.630 N/A LEU 182.A N GLN 124.A OE1 no hydrogen 2.813 N/A GLY 186.A N GLU 220.A OE1 no hydrogen 2.806 N/A GLN 187.A N ALA 184.A O no hydrogen 2.977 N/A GLN 187.A NE2 PRO 93.A O no hydrogen 2.851 N/A GLN 187.A NE2 ASP 95.A OD1 no hydrogen 2.875 N/A ALA 189.A N GLY 186.A O no hydrogen 3.083 N/A GLY 191.A N HIS 69.A O no hydrogen 2.919 N/A ILE 192.A N THR 86.A O no hydrogen 2.915 N/A GLU 193.A N ALA 67.A O no hydrogen 2.939 N/A CYS 194.A N GLY 83.A O no hydrogen 3.015 N/A CYS 194.A SG ARG 195.A O no hydrogen 3.544 N/A ARG 195.A NH1 LEU 59.A O no hydrogen 2.767 N/A ARG 195.A NH1 ALA 64.A O no hydrogen 2.945 N/A ARG 195.A NH2 ASP 65.A OD1 no hydrogen 3.096 N/A ARG 195.A NH2 ASP 198.A OD2 no hydrogen 3.195 N/A LEU 196.A N GLY 81.A O no hydrogen 2.917 N/A ASP 198.A N ARG 195.A O no hydrogen 3.073 N/A SER 199.A N ASP 197.A O no hydrogen 3.094 N/A ARG 200.A NH1 ASP 1.A O no hydrogen 3.505 N/A ARG 200.A NH1 VAL 3.A O no hydrogen 2.871 N/A ARG 200.A NH2 VAL 3.A O no hydrogen 3.200 N/A THR 201.A N ASP 198.A OD1 no hydrogen 3.314 N/A THR 201.A OG1 ASP 198.A OD2 no hydrogen 2.534 N/A ARG 202.A N ASP 198.A O no hydrogen 3.089 N/A ARG 202.A NH1 LEU 196.A O no hydrogen 2.998 N/A GLU 203.A N SER 199.A O no hydrogen 2.993 N/A LEU 204.A N ARG 200.A O no hydrogen 3.211 N/A LEU 205.A N THR 201.A O no hydrogen 3.041 N/A ALA 206.A N ARG 202.A O no hydrogen 3.322 N/A ALA 206.A N GLU 203.A O no hydrogen 3.370 N/A LEU 208.A N LEU 205.A O no hydrogen 2.843 N/A ASN 209.A N ALA 206.A O no hydrogen 3.177 N/A HIS 210.A N ILE 87.A O no hydrogen 2.927 N/A HIS 210.A ND1 THR 213.A OG1 no hydrogen 2.677 N/A THR 213.A N HIS 210.A ND1 no hydrogen 3.174 N/A THR 213.A OG1 HIS 210.A ND1 no hydrogen 2.677 N/A ALA 214.A N HIS 210.A O no hydrogen 2.897 N/A LEU 215.A N HIS 211.A O no hydrogen 2.952 N/A ARG 216.A N GLU 212.A O no hydrogen 3.174 N/A ARG 216.A NE ALA 239.A O no hydrogen 2.730 N/A ARG 216.A NH2 ALA 239.A O no hydrogen 3.158 N/A VAL 217.A N THR 213.A O no hydrogen 2.948 N/A THR 218.A N ALA 214.A O no hydrogen 2.901 N/A THR 218.A OG1 ALA 214.A O no hydrogen 2.672 N/A ALA 219.A N LEU 215.A O no hydrogen 3.275 N/A GLU 220.A N ARG 216.A O no hydrogen 3.187 N/A ARG 221.A N VAL 217.A O no hydrogen 2.876 N/A ARG 221.A NH1 VAL 74.A O no hydrogen 3.211 N/A ARG 221.A NH1 PRO 75.A O no hydrogen 3.257 N/A ARG 221.A NH2 PRO 75.A O no hydrogen 2.960 N/A ALA 222.A N THR 218.A O no hydrogen 2.930 N/A MET 223.A N ALA 219.A O no hydrogen 3.226 N/A ASN 224.A N GLU 220.A O no hydrogen 3.138 N/A ASN 224.A ND2 GLU 220.A O no hydrogen 3.559 N/A THR 225.A N ARG 221.A O no hydrogen 2.781 N/A THR 225.A OG1 ARG 221.A O no hydrogen 2.831 N/A ARG 226.A N ALA 222.A O no hydrogen 3.219 N/A ARG 226.A NE GLU 281.A OE2 no hydrogen 2.848 N/A ARG 226.A NH1 ARG 226.A O no hydrogen 2.975 N/A ARG 226.A NH2 GLU 281.A OE2 no hydrogen 3.416 N/A LEU 227.A N MET 223.A O no hydrogen 3.126 N/A GLU 228.A N THR 225.A O no hydrogen 2.906 N/A GLY 229.A N ASN 224.A O no hydrogen 2.961 N/A CYS 231.A SG LYS 72.A O no hydrogen 3.460 N/A CYS 231.A SG ASP 73.A OD1 no hydrogen 3.906 N/A VAL 233.A N ALA 230.A O no hydrogen 3.234 N/A ILE 235.A N VAL 233.A O no hydrogen 2.913 N/A GLY 236.A N LEU 251.A O no hydrogen 3.015 N/A SER 237.A N PRO 183.A O no hydrogen 3.111 N/A SER 237.A OG GLU 220.A O no hydrogen 3.061 N/A TYR 238.A N ARG 249.A O no hydrogen 2.926 N/A TYR 238.A OH GLU 240.A OE2 no hydrogen 2.545 N/A ALA 239.A N GLU 220.A OE2 no hydrogen 2.829 N/A GLU 240.A N TRP 247.A O no hydrogen 2.998 N/A ILE 242.A N GLU 245.A O no hydrogen 2.971 N/A GLU 245.A N ILE 242.A O no hydrogen 3.018 N/A ILE 246.A N GLY 267.A O no hydrogen 2.764 N/A TRP 247.A N GLU 240.A O no hydrogen 2.779 N/A TRP 247.A NE1 GLU 264.A OE1 no hydrogen 2.894 N/A LEU 248.A N ARG 265.A O no hydrogen 2.855 N/A ARG 249.A N TYR 238.A O no hydrogen 2.953 N/A ARG 249.A NH1 GLU 179.A OE2 no hydrogen 2.847 N/A GLY 250.A N GLY 263.A O no hydrogen 3.139 N/A LEU 251.A N GLY 236.A O no hydrogen 3.042 N/A VAL 252.A N ILE 261.A O no hydrogen 2.903 N/A GLY 253.A N PRO 234.A O no hydrogen 3.152 N/A ALA 254.A N GLN 259.A O no hydrogen 2.774 N/A GLY 257.A N ALA 254.A O no hydrogen 2.848 N/A SER 258.A N ASP 256.A OD1 no hydrogen 2.912 N/A SER 258.A OG ASP 256.A OD1 no hydrogen 2.571 N/A SER 258.A OG ASP 256.A OD2 no hydrogen 3.553 N/A ILE 261.A N VAL 252.A O no hydrogen 2.784 N/A ARG 262.A NH1 GLU 127.A OE2 no hydrogen 2.962 N/A ARG 262.A NH2 GLU 127.A OE1 no hydrogen 2.817 N/A GLY 263.A N GLY 250.A O no hydrogen 3.145 N/A ARG 265.A N LEU 248.A O no hydrogen 2.966 N/A ARG 265.A NH1 GLU 264.A O no hydrogen 3.339 N/A ARG 265.A NH1 GLU 282.A OE1 no hydrogen 2.789 N/A ARG 265.A NH2 GLU 282.A OE1 no hydrogen 2.990 N/A GLY 267.A N ILE 246.A O no hydrogen 3.089 N/A ASP 271.A N ALA 268.A O no hydrogen 2.832 N/A ALA 272.A N PRO 269.A O no hydrogen 3.163 N/A MET 275.A N ASP 271.A O no hydrogen 2.907 N/A GLY 276.A N ALA 272.A O no hydrogen 3.159 N/A ILE 277.A N GLU 273.A O no hydrogen 3.113 N/A SER 278.A N GLN 274.A O no hydrogen 2.987 N/A SER 278.A OG GLN 274.A O no hydrogen 3.263 N/A LEU 279.A N MET 275.A O no hydrogen 2.961 N/A ALA 280.A N GLY 276.A O no hydrogen 3.016 N/A GLU 281.A N ILE 277.A O no hydrogen 2.999 N/A GLU 282.A N SER 278.A O no hydrogen 3.013 N/A LEU 283.A N LEU 279.A O no hydrogen 3.084 N/A LEU 284.A N ALA 280.A O no hydrogen 3.012 N/A ASN 285.A N GLU 281.A O no hydrogen 3.059 N/A ASN 286.A N LEU 283.A O no hydrogen 3.183 N/A ASN 286.A ND2 GLU 282.A O no hydrogen 3.549 N/A GLY 287.A N LEU 284.A O no hydrogen 3.475 N/A ALA 288.A N LEU 283.A O no hydrogen 2.841 N/A ILE 291.A N GLY 287.A O no hydrogen 3.325 N/A LEU 292.A N ALA 288.A O no hydrogen 3.006 N/A ALA 293.A N ARG 289.A O no hydrogen 2.933 N/A GLU 294.A N GLU 290.A O no hydrogen 3.172 N/A VAL 295.A N LEU 292.A O no hydrogen 2.749 N/A TYR 296.A N LEU 292.A O no hydrogen 2.815 N/A TYR 296.A OH LEU 227.A O no hydrogen 3.228 N/A