Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pyd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N VAL 42.A O no hydrogen 2.947 N/A THR 3.A N SER 297.A O no hydrogen 2.944 N/A VAL 4.A N VAL 40.A O no hydrogen 2.904 N/A ARG 5.A N ARG 294.A O no hydrogen 2.873 N/A ARG 5.A NH1 GLU 39.A OE2 no hydrogen 2.862 N/A VAL 6.A N ASP 38.A O no hydrogen 2.942 N/A GLY 8.A N LEU 36.A O no hydrogen 2.874 N/A LYS 9.A N MET 99.A O no hydrogen 2.991 N/A LYS 9.A NZ ASN 11.A OD1 no hydrogen 3.272 N/A VAL 10.A N HIS 32.A O no hydrogen 2.872 N/A ASN 11.A N SER 251.A OG no hydrogen 2.862 N/A LEU 12.A N VAL 30.A O no hydrogen 2.947 N/A TYR 13.A OH GLY 197.A O no hydrogen 2.689 N/A LEU 14.A N GLY 219.A O no hydrogen 3.050 N/A ALA 15.A N THR 28.A O no hydrogen 2.931 N/A VAL 16.A N GLU 221.A OE1 no hydrogen 2.838 N/A GLY 17.A N GLU 26.A O no hydrogen 2.754 N/A ARG 20.A N TYR 24.A O no hydrogen 3.034 N/A ARG 20.A NH1 GLU 26.A OE2 no hydrogen 3.359 N/A THR 28.A N ALA 15.A O no hydrogen 3.174 N/A THR 29.A N GLY 148.A O no hydrogen 2.902 N/A VAL 30.A N TYR 13.A O no hydrogen 2.920 N/A PHE 31.A N ALA 146.A O no hydrogen 2.854 N/A HIS 32.A N VAL 10.A O no hydrogen 2.917 N/A ALA 33.A N GLY 144.A O no hydrogen 2.863 N/A VAL 34.A N GLY 8.A O no hydrogen 3.150 N/A SER 35.A N THR 287.A O no hydrogen 2.855 N/A SER 35.A OG THR 287.A O no hydrogen 3.375 N/A LEU 36.A N VAL 34.A O no hydrogen 2.808 N/A ASP 38.A N VAL 6.A O no hydrogen 2.978 N/A GLU 39.A N ASP 90.A O no hydrogen 3.008 N/A VAL 40.A N VAL 4.A O no hydrogen 2.889 N/A THR 41.A N MET 88.A O no hydrogen 2.772 N/A VAL 42.A N VAL 2.A O no hydrogen 2.787 N/A ARG 43.A N SER 86.A O no hydrogen 3.051 N/A ALA 45.A N ASP 84.A O no hydrogen 3.003 N/A SER 49.A N VAL 85.A O no hydrogen 2.996 N/A GLU 51.A N ILE 87.A O no hydrogen 2.901 N/A VAL 53.A N ILE 89.A O no hydrogen 2.825 N/A ALA 57.A N GLY 54.A O no hydrogen 2.973 N/A GLN 59.A N GLY 56.A O no hydrogen 2.977 N/A LEU 60.A N ALA 57.A O no hydrogen 3.121 N/A ARG 65.A N ASP 63.A OD2 no hydrogen 3.085 N/A ARG 65.A NE ASP 63.A OD1 no hydrogen 3.000 N/A ARG 65.A NH2 ASP 63.A OD1 no hydrogen 2.880 N/A ASN 66.A N ASP 63.A O no hydrogen 2.926 N/A TRP 69.A N ASN 66.A O no hydrogen 2.857 N/A TRP 69.A NE1 GLU 73.A OE1 no hydrogen 3.213 N/A GLN 70.A N ASN 66.A O no hydrogen 3.112 N/A GLN 70.A NE2 GLU 64.A O no hydrogen 3.129 N/A ALA 71.A N LEU 67.A O no hydrogen 2.851 N/A ALA 72.A N ALA 68.A O no hydrogen 3.177 N/A GLU 73.A N TRP 69.A O no hydrogen 3.178 N/A LEU 74.A N GLN 70.A O no hydrogen 2.894 N/A MET 75.A N ALA 71.A O no hydrogen 2.834 N/A ALA 76.A N ALA 72.A O no hydrogen 3.087 N/A GLU 77.A N GLU 73.A O no hydrogen 3.051 N/A HIS 78.A N LEU 74.A O no hydrogen 2.819 N/A VAL 79.A N MET 75.A O no hydrogen 3.385 N/A VAL 79.A N ALA 76.A O no hydrogen 3.202 N/A GLY 80.A N GLU 77.A O no hydrogen 3.072 N/A ARG 81.A N ALA 76.A O no hydrogen 2.850 N/A ASP 84.A N ALA 82.A O no hydrogen 2.697 N/A VAL 85.A N PRO 83.A O no hydrogen 2.798 N/A SER 86.A N ARG 43.A O no hydrogen 2.787 N/A ILE 87.A N SER 49.A O no hydrogen 2.765 N/A MET 88.A N THR 41.A O no hydrogen 2.752 N/A ILE 89.A N GLU 51.A O no hydrogen 2.773 N/A ASP 90.A N GLU 39.A O no hydrogen 2.835 N/A LYS 91.A N VAL 53.A O no hydrogen 2.868 N/A LYS 91.A NZ ASP 38.A OD2 no hydrogen 2.882 N/A LYS 91.A NZ ASP 105.A OD1 no hydrogen 3.230 N/A SER 92.A N VAL 37.A O no hydrogen 3.091 N/A SER 92.A N ASP 38.A OD1 no hydrogen 3.116 N/A ILE 93.A N ASP 38.A OD1 no hydrogen 3.009 N/A ALA 104.A N ALA 100.A O no hydrogen 2.900 N/A ASP 105.A N GLY 101.A O no hydrogen 2.992 N/A ALA 106.A N GLY 102.A O no hydrogen 3.081 N/A ALA 107.A N SER 103.A O no hydrogen 2.998 N/A ALA 108.A N ALA 104.A O no hydrogen 2.954 N/A VAL 109.A N ASP 105.A O no hydrogen 2.933 N/A LEU 110.A N ALA 106.A O no hydrogen 3.084 N/A VAL 111.A N ALA 107.A O no hydrogen 3.171 N/A ALA 112.A N ALA 108.A O no hydrogen 2.858 N/A MET 113.A N VAL 109.A O no hydrogen 2.985 N/A ASN 114.A N LEU 110.A O no hydrogen 2.888 N/A ASN 114.A ND2 VAL 121.A O no hydrogen 2.960 N/A SER 115.A N VAL 111.A O no hydrogen 3.016 N/A LEU 116.A N ALA 112.A O no hydrogen 2.613 N/A TRP 117.A N MET 113.A O no hydrogen 2.848 N/A TRP 117.A NE1 ASN 44.A OD1 no hydrogen 3.098 N/A GLU 118.A N SER 115.A O no hydrogen 2.960 N/A LEU 119.A N ASN 114.A O no hydrogen 2.981 N/A ASN 120.A N ASN 114.A O no hydrogen 3.100 N/A VAL 121.A N ASN 114.A OD1 no hydrogen 2.810 N/A ARG 123.A NH1 ALA 293.A O no hydrogen 3.146 N/A ARG 123.A NH2 ALA 293.A O no hydrogen 2.837 N/A ASP 125.A N PRO 122.A O no hydrogen 2.929 N/A LEU 126.A N PRO 122.A O no hydrogen 3.332 N/A ARG 127.A N ARG 123.A O no hydrogen 3.011 N/A MET 128.A N ARG 124.A O no hydrogen 3.078 N/A LEU 129.A N ASP 125.A O no hydrogen 2.983 N/A ALA 130.A N LEU 126.A O no hydrogen 2.782 N/A ALA 131.A N ARG 127.A O no hydrogen 3.055 N/A ARG 132.A N LEU 129.A O no hydrogen 2.991 N/A LEU 133.A N ALA 130.A O no hydrogen 2.998 N/A GLY 134.A N ALA 130.A O no hydrogen 3.207 N/A VAL 137.A N GLY 134.A O no hydrogen 3.216 N/A ALA 140.A N ASP 136.A O no hydrogen 3.366 N/A LEU 141.A N VAL 137.A O no hydrogen 3.203 N/A HIS 142.A N PRO 138.A O no hydrogen 2.944 N/A HIS 142.A ND1 GLY 143.A O no hydrogen 2.643 N/A HIS 142.A NE2 THR 157.A OG1 no hydrogen 2.823 N/A GLY 143.A N PHE 139.A O no hydrogen 2.662 N/A GLY 144.A N VAL 290.A O no hydrogen 2.892 N/A ALA 146.A N PHE 31.A O no hydrogen 2.967 N/A LEU 147.A N ALA 156.A O no hydrogen 2.875 N/A GLY 148.A N THR 29.A O no hydrogen 2.824 N/A ARG 151.A NE TYR 24.A OH no hydrogen 3.323 N/A ARG 151.A NH2 TYR 24.A OH no hydrogen 3.152 N/A GLU 153.A N GLY 150.A O no hydrogen 3.139 N/A ALA 156.A N LEU 147.A O no hydrogen 3.018 N/A THR 157.A OG1 HIS 142.A NE2 no hydrogen 2.823 N/A VAL 158.A N THR 145.A O no hydrogen 2.937 N/A SER 160.A OG LEU 206.A O no hydrogen 3.095 N/A ARG 161.A N ALA 207.A O no hydrogen 3.234 N/A PHE 164.A N GLY 288.A O no hydrogen 2.627 N/A TRP 166.A N ALA 286.A O no hydrogen 2.906 N/A VAL 167.A N PHE 259.A O no hydrogen 2.811 N/A LEU 168.A N ARG 284.A O no hydrogen 2.858 N/A ALA 169.A N CYS 257.A O no hydrogen 2.903 N/A PHE 170.A N THR 282.A O no hydrogen 2.934 N/A SER 173.A OG GLY 174.A O no hydrogen 3.225 N/A VAL 180.A N LEU 176.A O no hydrogen 3.030 N/A TYR 181.A N THR 177.A O no hydrogen 2.868 N/A ASN 182.A N SER 178.A O no hydrogen 3.090 N/A GLU 183.A N ALA 179.A O no hydrogen 3.153 N/A LEU 184.A N VAL 180.A O no hydrogen 2.923 N/A ASP 185.A N TYR 181.A O no hydrogen 2.987 N/A ARG 186.A N ASN 182.A O no hydrogen 2.972 N/A ARG 186.A NH1 GLU 183.A OE2 no hydrogen 3.464 N/A LEU 187.A N GLU 183.A O no hydrogen 2.779 N/A ARG 188.A N LEU 184.A O no hydrogen 2.941 N/A ARG 188.A NH1 VAL 16.A O no hydrogen 2.939 N/A ARG 188.A NH1 GLY 17.A O no hydrogen 3.244 N/A ARG 188.A NH2 VAL 16.A O no hydrogen 2.740 N/A GLU 189.A N ASP 185.A O no hydrogen 3.031 N/A GLU 189.A N ARG 186.A O no hydrogen 3.034 N/A VAL 190.A N ARG 186.A O no hydrogen 3.000 N/A ARG 195.A NH1 ASP 18.A OD1 no hydrogen 3.312 N/A ARG 195.A NH2 ASP 18.A OD1 no hydrogen 3.059 N/A LEU 196.A N GLU 221.A OE2 no hydrogen 2.748 N/A LEU 203.A N PRO 199.A O no hydrogen 3.167 N/A ALA 204.A N GLY 200.A O no hydrogen 2.999 N/A ALA 205.A N PRO 201.A O no hydrogen 3.018 N/A LEU 206.A N VAL 202.A O no hydrogen 2.969 N/A ALA 207.A N LEU 203.A O no hydrogen 2.758 N/A ALA 208.A N ALA 204.A O no hydrogen 2.989 N/A GLY 209.A N LEU 206.A O no hydrogen 3.017 N/A ASP 210.A N ALA 205.A O no hydrogen 3.455 N/A GLN 213.A N ASP 210.A OD1 no hydrogen 3.394 N/A LEU 214.A N ASP 210.A O no hydrogen 3.030 N/A ALA 215.A N PRO 211.A O no hydrogen 2.888 N/A LEU 217.A N LEU 214.A O no hydrogen 2.839 N/A LEU 218.A N LEU 214.A O no hydrogen 3.204 N/A LEU 218.A N ALA 215.A O no hydrogen 3.375 N/A GLY 219.A N LEU 12.A O no hydrogen 3.031 N/A ASN 220.A ND2 VAL 250.A O no hydrogen 2.957 N/A ASN 220.A ND2 GLY 252.A O no hydrogen 2.668 N/A GLU 221.A N LEU 14.A O no hydrogen 2.897 N/A MET 222.A N ASN 220.A OD1 no hydrogen 2.892 N/A GLN 223.A N ASN 220.A O no hydrogen 3.048 N/A ALA 226.A N MET 222.A O no hydrogen 2.994 N/A VAL 227.A N GLN 223.A O no hydrogen 2.833 N/A SER 228.A N ALA 224.A O no hydrogen 2.935 N/A SER 228.A OG GLU 183.A OE1 no hydrogen 2.567 N/A LEU 229.A N ALA 225.A O no hydrogen 3.009 N/A ASP 230.A N ALA 226.A O no hydrogen 2.878 N/A ALA 232.A N ASP 230.A OD1 no hydrogen 2.953 N/A LEU 233.A N ASP 230.A O no hydrogen 3.039 N/A ALA 234.A N PRO 231.A O no hydrogen 3.202 N/A ALA 236.A N ALA 232.A O no hydrogen 2.983 N/A LEU 237.A N LEU 233.A O no hydrogen 2.922 N/A ARG 238.A N ALA 234.A O no hydrogen 3.110 N/A ALA 239.A N ARG 235.A O no hydrogen 2.822 N/A GLY 240.A N ALA 236.A O no hydrogen 3.039 N/A VAL 241.A N LEU 237.A O no hydrogen 3.287 N/A GLU 242.A N ARG 238.A O no hydrogen 2.817 N/A ALA 243.A N ALA 239.A O no hydrogen 2.869 N/A GLY 244.A N VAL 241.A O no hydrogen 2.898 N/A ALA 245.A N GLY 240.A O no hydrogen 3.063 N/A LEU 246.A N LEU 260.A O no hydrogen 2.829 N/A ILE 249.A N ALA 258.A O no hydrogen 3.032 N/A SER 251.A N THR 256.A O no hydrogen 2.791 N/A SER 253.A OG LEU 175.A O no hydrogen 3.396 N/A SER 253.A OG GLY 254.A O no hydrogen 3.545 N/A THR 256.A OG1 GLY 97.A O no hydrogen 2.448 N/A CYS 257.A N ALA 169.A O no hydrogen 2.952 N/A CYS 257.A SG PRO 255.A O no hydrogen 3.556 N/A ALA 258.A N ILE 249.A O no hydrogen 2.847 N/A PHE 259.A N VAL 167.A O no hydrogen 2.689 N/A LEU 260.A N ALA 247.A O no hydrogen 2.990 N/A CYS 261.A N HIS 165.A O no hydrogen 2.849 N/A CYS 261.A SG PHE 259.A O no hydrogen 3.962 N/A SER 266.A N SER 263.A OG no hydrogen 3.237 N/A ALA 267.A N SER 263.A O no hydrogen 2.956 N/A ILE 268.A N ALA 264.A O no hydrogen 3.034 N/A ASP 269.A N SER 265.A O no hydrogen 3.144 N/A VAL 270.A N SER 266.A O no hydrogen 2.752 N/A GLY 271.A N ALA 267.A O no hydrogen 2.784 N/A ALA 272.A N ILE 268.A O no hydrogen 2.835 N/A GLN 273.A N ASP 269.A O no hydrogen 3.116 N/A LEU 274.A N VAL 270.A O no hydrogen 2.895 N/A SER 275.A N GLY 271.A O no hydrogen 2.861 N/A GLY 276.A N ALA 272.A O no hydrogen 2.930 N/A ALA 277.A N GLN 273.A O no hydrogen 3.047 N/A GLY 278.A N SER 275.A O no hydrogen 3.277 N/A ARG 281.A N PHE 170.A O no hydrogen 2.837 N/A ARG 281.A NE ALA 171.A O no hydrogen 3.367 N/A THR 282.A N PHE 170.A O no hydrogen 3.376 N/A ARG 284.A N LEU 168.A O no hydrogen 2.902 N/A ALA 286.A N TRP 166.A O no hydrogen 3.012 N/A THR 287.A N SER 35.A OG no hydrogen 2.763 N/A GLY 288.A N PHE 164.A O no hydrogen 3.093 N/A VAL 290.A N ALA 33.A O no hydrogen 3.123 N/A ALA 293.A N ALA 140.A O no hydrogen 2.948 N/A ARG 294.A N ARG 5.A O no hydrogen 3.001 N/A ARG 294.A NH1 GLY 292.A O no hydrogen 3.205 N/A VAL 296.A N THR 3.A O no hydrogen 2.803 N/A SER 297.A N THR 3.A O no hydrogen 3.383 N/A