Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3phb_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 9.A N ASP 12.A OD2 no hydrogen 2.893 N/A THR 9.A OG1 GLU 11.A OE2 no hydrogen 3.318 N/A ASP 12.A N THR 9.A O no hydrogen 2.946 N/A ASP 12.A N THR 9.A OG1 no hydrogen 3.029 N/A TYR 13.A N THR 9.A O no hydrogen 3.425 N/A LYS 14.A N TYR 10.A O no hydrogen 3.039 N/A LYS 14.A NZ GLU 18.A OE2 no hydrogen 3.509 N/A ASN 15.A N GLU 11.A O no hydrogen 2.996 N/A THR 16.A N ASP 12.A O no hydrogen 3.357 N/A THR 16.A OG1 ASP 12.A O no hydrogen 3.503 N/A THR 16.A OG1 PRO 57.A O no hydrogen 2.870 N/A ALA 17.A N TYR 13.A O no hydrogen 2.924 N/A GLU 18.A N LYS 14.A O no hydrogen 2.842 N/A TRP 19.A N ASN 15.A O no hydrogen 2.908 N/A LEU 20.A N THR 16.A O no hydrogen 2.969 N/A LEU 21.A N ALA 17.A O no hydrogen 2.906 N/A SER 22.A N GLU 18.A O no hydrogen 2.806 N/A SER 22.A N TRP 19.A O no hydrogen 3.174 N/A SER 22.A OG GLU 18.A O no hydrogen 2.833 N/A HIS 23.A N LEU 20.A O no hydrogen 2.978 N/A HIS 23.A ND1 TRP 19.A O no hydrogen 2.728 N/A THR 24.A N LEU 20.A O no hydrogen 3.085 N/A THR 24.A OG1 GLN 49.A OE1 no hydrogen 2.859 N/A HIS 26.A N THR 24.A OG1 no hydrogen 3.346 N/A HIS 26.A NE2 GLN 47.A O no hydrogen 2.761 N/A ARG 27.A NH1 THR 24.A O no hydrogen 2.873 N/A ARG 27.A NH1 HIS 26.A O no hydrogen 2.760 N/A ARG 27.A NH2 LEU 21.A O no hydrogen 3.310 N/A GLN 29.A N ALA 80.A O no hydrogen 2.712 N/A GLN 29.A NE2 ASP 112.A OD1 no hydrogen 2.821 N/A GLN 29.A NE2 ASP 112.A OD2 no hydrogen 3.542 N/A GLN 29.A NE2 PRO 286.A O no hydrogen 3.062 N/A VAL 30.A N ALA 80.A O no hydrogen 3.301 N/A ALA 31.A N THR 113.A O no hydrogen 2.920 N/A ILE 32.A N VAL 82.A O no hydrogen 2.713 N/A ILE 33.A N VAL 115.A O no hydrogen 2.930 N/A CYS 34.A N MET 84.A O no hydrogen 2.996 N/A GLY 35.A N THR 117.A OG1 no hydrogen 2.805 N/A SER 36.A OG HIS 67.A NE2 no hydrogen 2.826 N/A GLY 37.A N GLY 66.A O no hydrogen 3.432 N/A LEU 38.A N GLY 35.A O no hydrogen 3.276 N/A LEU 41.A N LEU 38.A O no hydrogen 2.969 N/A THR 42.A OG1 GLY 39.A O no hydrogen 3.554 N/A ASP 43.A N GLY 40.A O no hydrogen 3.190 N/A LYS 44.A NZ GLU 275.A OE1 no hydrogen 2.892 N/A THR 46.A N PHE 75.A O no hydrogen 2.947 N/A GLN 49.A N PHE 73.A O no hydrogen 2.819 N/A GLN 49.A NE2 HIS 23.A O no hydrogen 3.099 N/A PHE 51.A N LEU 71.A O no hydrogen 2.695 N/A ASP 52.A N GLU 55.A OE2 no hydrogen 2.640 N/A TYR 53.A N GLY 69.A O no hydrogen 2.912 N/A TYR 53.A OH GLY 86.A O no hydrogen 2.473 N/A GLU 55.A N ASP 52.A O no hydrogen 2.809 N/A ILE 56.A N TYR 53.A O no hydrogen 2.929 N/A ASN 58.A ND2 ASP 12.A O no hydrogen 3.198 N/A ASN 58.A ND2 THR 16.A OG1 no hydrogen 3.259 N/A PHE 59.A N ILE 56.A O no hydrogen 3.151 N/A ARG 61.A N TYR 94.A OH no hydrogen 3.185 N/A SER 62.A OG ARG 87.A O no hydrogen 3.150 N/A THR 63.A N GLU 92.A OE2 no hydrogen 3.181 N/A THR 63.A OG1 GLU 92.A OE2 no hydrogen 2.633 N/A HIS 67.A N VAL 64.A O no hydrogen 3.079 N/A HIS 67.A NE2 SER 36.A OG no hydrogen 2.826 N/A ARG 70.A N GLN 85.A O no hydrogen 3.035 N/A ARG 70.A NE GLN 85.A OE1 no hydrogen 3.461 N/A LEU 71.A N PHE 51.A O no hydrogen 2.675 N/A VAL 72.A N MET 83.A O no hydrogen 3.017 N/A PHE 73.A N GLN 49.A O no hydrogen 2.865 N/A GLY 74.A N CYS 81.A O no hydrogen 3.185 N/A PHE 75.A N THR 46.A O no hydrogen 3.061 N/A LEU 76.A N ARG 79.A O no hydrogen 2.874 N/A ASN 77.A ND2 SER 279.A O no hydrogen 2.845 N/A ARG 79.A N LEU 76.A O no hydrogen 3.092 N/A ARG 79.A NH1 ILE 285.A O no hydrogen 2.664 N/A ARG 79.A NH2 GLN 29.A OE1 no hydrogen 2.983 N/A ARG 79.A NH2 ILE 285.A O no hydrogen 2.718 N/A CYS 81.A N GLY 74.A O no hydrogen 2.804 N/A CYS 81.A SG VAL 30.A O no hydrogen 3.823 N/A CYS 81.A SG ARG 79.A O no hydrogen 3.906 N/A VAL 82.A N VAL 30.A O no hydrogen 2.934 N/A MET 83.A N VAL 72.A O no hydrogen 2.858 N/A MET 84.A N ILE 32.A O no hydrogen 2.619 N/A GLN 85.A N ARG 70.A O no hydrogen 2.807 N/A GLN 85.A NE2 GLY 39.A O no hydrogen 2.611 N/A ARG 87.A N HIS 67.A ND1 no hydrogen 2.960 N/A ARG 87.A NE GLU 227.A OE1 no hydrogen 3.304 N/A ARG 87.A NE GLU 227.A OE2 no hydrogen 2.732 N/A ARG 87.A NH1 THR 117.A O no hydrogen 2.682 N/A ARG 87.A NH2 THR 117.A O no hydrogen 3.061 N/A ARG 87.A NH2 GLU 227.A OE1 no hydrogen 2.773 N/A HIS 89.A ND1 GLU 92.A OE1 no hydrogen 2.669 N/A GLU 92.A N HIS 89.A O no hydrogen 3.275 N/A GLY 93.A N MET 90.A O no hydrogen 2.683 N/A TYR 94.A OH ARG 61.A O no hydrogen 2.366 N/A LYS 98.A N PRO 95.A O no hydrogen 2.690 N/A VAL 99.A N PRO 95.A O no hydrogen 3.072 N/A THR 100.A N LEU 96.A O no hydrogen 3.135 N/A THR 100.A OG1 LEU 96.A O no hydrogen 2.694 N/A THR 100.A OG1 TRP 97.A O no hydrogen 3.501 N/A PHE 101.A N LYS 98.A O no hydrogen 3.063 N/A VAL 103.A N THR 100.A O no hydrogen 2.962 N/A ARG 104.A NE TYR 13.A OH no hydrogen 3.547 N/A ARG 104.A NH2 ASN 6.A OD1 no hydrogen 2.905 N/A ARG 104.A NH2 TYR 13.A OH no hydrogen 3.469 N/A VAL 105.A N PHE 101.A O no hydrogen 3.455 N/A PHE 106.A N PRO 102.A O no hydrogen 2.759 N/A HIS 107.A N VAL 103.A O no hydrogen 3.211 N/A LEU 108.A N ARG 104.A O no hydrogen 3.159 N/A LEU 109.A N VAL 105.A O no hydrogen 2.749 N/A GLY 110.A N HIS 107.A O no hydrogen 2.950 N/A VAL 111.A N PHE 106.A O no hydrogen 2.980 N/A ASP 112.A N GLN 29.A O no hydrogen 3.075 N/A THR 113.A N GLN 29.A O no hydrogen 3.322 N/A THR 113.A OG1 ASP 112.A OD1 no hydrogen 2.884 N/A LEU 114.A N ARG 237.A O no hydrogen 2.852 N/A VAL 115.A N ALA 31.A O no hydrogen 2.807 N/A VAL 116.A N PHE 239.A O no hydrogen 2.843 N/A THR 117.A N ILE 33.A O no hydrogen 2.983 N/A THR 117.A OG1 ILE 33.A O no hydrogen 2.684 N/A ASN 118.A N PHE 241.A O no hydrogen 3.300 N/A ASN 118.A ND2 ALA 119.A O no hydrogen 2.799 N/A ASN 118.A ND2 SER 242.A OG no hydrogen 2.309 N/A ALA 120.A N LEU 243.A O no hydrogen 2.855 N/A GLY 121.A N VAL 220.A O no hydrogen 2.789 N/A GLY 122.A N ASN 246.A O no hydrogen 2.677 N/A LEU 123.A N ASP 218.A O no hydrogen 3.049 N/A ASN 124.A N ASP 218.A O no hydrogen 3.155 N/A LYS 126.A N ASN 124.A OD1 no hydrogen 2.710 N/A PHE 127.A N ASN 124.A O no hydrogen 3.264 N/A GLU 128.A N ASP 131.A OD2 no hydrogen 3.045 N/A GLY 130.A N ILE 244.A O no hydrogen 2.761 N/A ASP 131.A N GLU 128.A O no hydrogen 3.069 N/A MET 133.A N SER 242.A O no hydrogen 2.745 N/A LEU 134.A N GLN 191.A O no hydrogen 2.422 N/A ILE 135.A N GLY 240.A O no hydrogen 2.888 N/A ARG 136.A N GLY 193.A O no hydrogen 3.014 N/A HIS 138.A N ASP 137.A OD1 no hydrogen 2.938 N/A HIS 138.A ND1 TYR 169.A OH no hydrogen 2.924 N/A ILE 139.A N TYR 195.A O no hydrogen 2.799 N/A GLY 143.A N ASN 140.A OD1 no hydrogen 2.513 N/A PHE 144.A N ASN 140.A O no hydrogen 3.028 N/A SER 145.A OG PRO 142.A O no hydrogen 3.401 N/A GLY 146.A N GLY 143.A O no hydrogen 3.328 N/A GLN 147.A N PRO 142.A O no hydrogen 2.839 N/A LEU 150.A N ASN 148.A OD1 no hydrogen 2.624 N/A ARG 151.A N ASN 148.A O no hydrogen 3.051 N/A ASN 154.A ND2 HIS 233.A NE2 no hydrogen 2.804 N/A ARG 157.A N ASP 155.A OD1 no hydrogen 2.441 N/A ARG 157.A NE ASP 155.A OD2 no hydrogen 2.846 N/A ARG 157.A NH2 ASP 155.A OD2 no hydrogen 2.999 N/A PHE 158.A N ASP 155.A O no hydrogen 2.865 N/A GLY 159.A N ASP 155.A O no hydrogen 2.908 N/A ARG 161.A NE ARG 161.A O no hydrogen 3.018 N/A ARG 161.A NH1 GLY 152.A O no hydrogen 2.368 N/A ARG 161.A NH2 LEU 150.A O no hydrogen 3.028 N/A ARG 161.A NH2 GLY 152.A O no hydrogen 3.115 N/A ALA 168.A N MET 165.A O no hydrogen 3.258 N/A TYR 169.A OH HIS 138.A ND1 no hydrogen 2.924 N/A ASP 170.A N VAL 238.A O no hydrogen 2.886 N/A MET 173.A N ASP 170.A OD1 no hydrogen 2.919 N/A ARG 174.A N ASP 170.A O no hydrogen 3.197 N/A ARG 174.A NE GLU 192.A OE1 no hydrogen 3.386 N/A GLN 175.A N ARG 171.A O no hydrogen 3.168 N/A ARG 176.A N THR 172.A O no hydrogen 3.015 N/A ALA 177.A N MET 173.A O no hydrogen 2.666 N/A LEU 178.A N ARG 174.A O no hydrogen 2.848 N/A SER 179.A N GLN 175.A O no hydrogen 3.324 N/A SER 179.A OG GLN 175.A O no hydrogen 3.372 N/A THR 180.A N ARG 176.A O no hydrogen 2.975 N/A THR 180.A OG1 ARG 176.A O no hydrogen 2.433 N/A TRP 181.A N LEU 178.A O no hydrogen 2.965 N/A TRP 181.A NE1 ARG 188.A O no hydrogen 2.957 N/A GLN 183.A N THR 180.A O no hydrogen 3.131 N/A MET 184.A N TRP 181.A O no hydrogen 2.812 N/A ARG 188.A NE ASP 131.A OD1 no hydrogen 2.957 N/A ARG 188.A NH2 LYS 126.A O no hydrogen 2.820 N/A ARG 188.A NH2 ASP 131.A OD2 no hydrogen 2.615 N/A GLN 191.A N ILE 132.A O no hydrogen 2.822 N/A GLN 191.A NE2 GLU 189.A O no hydrogen 3.265 N/A GLY 193.A N LEU 134.A O no hydrogen 3.039 N/A THR 194.A N ASP 218.A OD2 no hydrogen 2.720 N/A TYR 195.A N ASP 137.A O no hydrogen 2.857 N/A TYR 195.A OH SER 223.A O no hydrogen 3.026 N/A VAL 196.A N ALA 219.A O no hydrogen 2.652 N/A MET 197.A N ILE 139.A O no hydrogen 3.177 N/A VAL 198.A N GLY 221.A O no hydrogen 2.982 N/A THR 205.A N GLU 208.A OE1 no hydrogen 3.084 N/A GLU 208.A N THR 205.A OG1 no hydrogen 3.102 N/A CYS 209.A N THR 205.A O no hydrogen 3.002 N/A CYS 209.A SG VAL 248.A O no hydrogen 4.007 N/A CYS 209.A SG ILE 249.A O no hydrogen 3.877 N/A ARG 210.A N VAL 206.A O no hydrogen 3.060 N/A ARG 210.A NH2 MET 250.A O no hydrogen 3.192 N/A VAL 211.A N ALA 207.A O no hydrogen 3.010 N/A LEU 212.A N GLU 208.A O no hydrogen 3.091 N/A GLN 213.A N CYS 209.A O no hydrogen 3.093 N/A GLN 213.A NE2 LEU 123.A O no hydrogen 3.293 N/A LYS 214.A N ARG 210.A O no hydrogen 2.928 N/A LEU 215.A N VAL 211.A O no hydrogen 2.639 N/A GLY 216.A N GLN 213.A O no hydrogen 2.856 N/A ALA 217.A N LEU 212.A O no hydrogen 3.164 N/A ASP 218.A N THR 194.A O no hydrogen 2.781 N/A ALA 219.A N THR 194.A O no hydrogen 3.100 N/A VAL 220.A N GLY 121.A O no hydrogen 3.054 N/A GLY 221.A N VAL 196.A O no hydrogen 3.142 N/A SER 223.A N TYR 195.A OH no hydrogen 3.054 N/A SER 223.A OG THR 224.A OG1 no hydrogen 2.683 N/A THR 224.A OG1 ASN 118.A OD1 no hydrogen 3.053 N/A THR 224.A OG1 SER 223.A OG no hydrogen 2.683 N/A VAL 225.A N SER 223.A O no hydrogen 2.869 N/A VAL 228.A N THR 224.A O no hydrogen 3.019 N/A ILE 229.A N VAL 225.A O no hydrogen 2.909 N/A VAL 230.A N PRO 226.A O no hydrogen 2.902 N/A ALA 231.A N GLU 227.A O no hydrogen 2.839 N/A ARG 232.A N VAL 228.A O no hydrogen 2.959 N/A ARG 232.A NH1 LEU 236.A O no hydrogen 2.953 N/A ARG 232.A NH2 ASP 167.A OD2 no hydrogen 3.427 N/A HIS 233.A N ILE 229.A O no hydrogen 3.126 N/A HIS 233.A NE2 ASP 160.A O no hydrogen 2.605 N/A CYS 234.A N VAL 230.A O no hydrogen 3.246 N/A CYS 234.A SG VAL 230.A O no hydrogen 3.377 N/A CYS 234.A SG ALA 231.A O no hydrogen 3.357 N/A GLY 235.A N ARG 232.A O no hydrogen 2.908 N/A LEU 236.A N ALA 231.A O no hydrogen 3.127 N/A ARG 237.A N ASP 112.A O no hydrogen 2.948 N/A PHE 239.A N LEU 114.A O no hydrogen 3.059 N/A PHE 241.A N VAL 116.A O no hydrogen 2.962 N/A SER 242.A N MET 133.A O no hydrogen 2.822 N/A LEU 243.A N ASN 118.A O no hydrogen 2.791 N/A ILE 244.A N ASP 131.A O no hydrogen 3.007 N/A THR 245.A N ALA 120.A O no hydrogen 3.105 N/A THR 245.A OG1 ASN 246.A OD1 no hydrogen 2.944 N/A LYS 247.A NZ PHE 127.A O no hydrogen 3.467 N/A LYS 247.A NZ GLU 128.A OE2 no hydrogen 2.771 N/A VAL 248.A N GLY 122.A O no hydrogen 3.025 N/A SER 254.A N ASP 251.A OD1 no hydrogen 3.187 N/A GLU 256.A N SER 254.A OG no hydrogen 2.747 N/A ASN 259.A ND2 GLU 261.A OE2 no hydrogen 3.169 N/A HIS 260.A NE2 PRO 65.A O no hydrogen 2.342 N/A VAL 263.A N ASN 259.A O no hydrogen 3.179 N/A LEU 264.A N HIS 260.A O no hydrogen 2.748 N/A ALA 265.A N GLU 261.A O no hydrogen 3.103 N/A ALA 266.A N GLU 262.A O no hydrogen 2.971 N/A GLY 267.A N VAL 263.A O no hydrogen 3.180 N/A LYS 268.A N LEU 264.A O no hydrogen 3.065 N/A GLN 269.A N ALA 265.A O no hydrogen 3.364 N/A ALA 270.A N ALA 266.A O no hydrogen 3.358 N/A ALA 270.A N GLY 267.A O no hydrogen 3.187 N/A ALA 271.A N GLY 267.A O no hydrogen 2.921 N/A LYS 273.A NZ GLY 130.A O no hydrogen 2.840 N/A LEU 274.A N ALA 270.A O no hydrogen 2.876 N/A GLU 275.A N ALA 271.A O no hydrogen 2.843 N/A GLN 276.A N GLN 272.A O no hydrogen 3.370 N/A PHE 277.A N LYS 273.A O no hydrogen 3.181 N/A VAL 278.A N LEU 274.A O no hydrogen 2.921 N/A SER 279.A N GLU 275.A O no hydrogen 2.846 N/A ILE 280.A N GLN 276.A O no hydrogen 2.894 N/A LEU 281.A N PHE 277.A O no hydrogen 3.072 N/A MET 282.A N VAL 278.A O no hydrogen 3.136 N/A MET 282.A N SER 279.A O no hydrogen 3.164 N/A SER 284.A N LEU 281.A O no hydrogen 2.775 N/A ILE 285.A N LEU 281.A O no hydrogen 3.264 N/A ILE 285.A N MET 282.A O no hydrogen 3.109 N/A