Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pef_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLY 24.A O no hydrogen 3.301 N/A PHE 4.A N SER 26.A O no hydrogen 2.907 N/A GLY 5.A N VAL 59.A O no hydrogen 2.918 N/A PHE 6.A N THR 28.A O no hydrogen 2.746 N/A ILE 7.A N PHE 61.A O no hydrogen 2.835 N/A GLY 8.A N TRP 30.A O no hydrogen 2.960 N/A LEU 9.A N ASN 31.A OD1 no hydrogen 2.883 N/A SER 14.A N GLY 10.A O no hydrogen 2.959 N/A SER 14.A OG GLY 10.A O no hydrogen 2.726 N/A SER 14.A OG ILE 11.A O no hydrogen 3.536 N/A MET 16.A N MET 12.A O no hydrogen 2.820 N/A ALA 17.A N GLY 13.A O no hydrogen 2.791 N/A LYS 18.A N SER 14.A O no hydrogen 3.033 N/A LYS 18.A NZ GLU 39.A OE2 no hydrogen 2.951 N/A ASN 19.A N ALA 15.A O no hydrogen 3.263 N/A ASN 19.A ND2 GLU 128.A O no hydrogen 3.235 N/A LEU 20.A N MET 16.A O no hydrogen 3.249 N/A VAL 21.A N ALA 17.A O no hydrogen 2.877 N/A LYS 22.A N LYS 18.A O no hydrogen 2.604 N/A ALA 23.A N ASN 19.A O no hydrogen 2.971 N/A ALA 23.A N LEU 20.A O no hydrogen 3.191 N/A GLY 24.A N VAL 21.A O no hydrogen 3.011 N/A CYS 25.A N LEU 20.A O no hydrogen 3.112 N/A SER 26.A N GLN 2.A O no hydrogen 2.755 N/A THR 28.A N PHE 4.A O no hydrogen 2.988 N/A THR 28.A OG1 GLU 46.A OE1 no hydrogen 3.364 N/A ILE 29.A N GLU 46.A O no hydrogen 2.831 N/A TRP 30.A N PHE 6.A O no hydrogen 2.947 N/A ASN 31.A ND2 SER 33.A O no hydrogen 2.743 N/A GLU 35.A N GLU 35.A OE1 no hydrogen 2.729 N/A LYS 36.A N SER 33.A O no hydrogen 3.166 N/A ALA 37.A N PRO 34.A O no hydrogen 3.089 N/A GLU 38.A N GLU 35.A O no hydrogen 3.051 N/A ALA 41.A N ALA 37.A O no hydrogen 2.805 N/A ALA 42.A N GLU 38.A O no hydrogen 3.104 N/A LEU 43.A N GLU 39.A O no hydrogen 3.215 N/A LEU 43.A N LEU 40.A O no hydrogen 2.836 N/A GLY 44.A N ALA 41.A O no hydrogen 2.995 N/A ALA 45.A N LEU 40.A O no hydrogen 3.080 N/A GLU 46.A N VAL 27.A O no hydrogen 2.809 N/A ARG 47.A NH1 PRO 34.A O no hydrogen 2.853 N/A ARG 47.A NH2 PRO 34.A O no hydrogen 3.461 N/A ALA 48.A N ILE 29.A O no hydrogen 2.943 N/A ALA 49.A N GLU 52.A OE1 no hydrogen 2.825 N/A VAL 53.A N THR 50.A O no hydrogen 3.380 N/A VAL 54.A N PRO 51.A O no hydrogen 3.202 N/A SER 56.A N VAL 53.A O no hydrogen 3.247 N/A SER 56.A OG GLU 52.A O no hydrogen 3.064 N/A SER 56.A OG VAL 53.A O no hydrogen 3.411 N/A CYS 57.A N VAL 53.A O no hydrogen 3.045 N/A CYS 57.A SG VAL 53.A O no hydrogen 3.436 N/A THR 60.A N GLY 89.A O no hydrogen 2.974 N/A PHE 61.A N GLY 5.A O no hydrogen 2.890 N/A ALA 62.A N VAL 91.A O no hydrogen 2.969 N/A MET 63.A N ILE 7.A O no hydrogen 2.852 N/A LEU 64.A N SER 94.A OG no hydrogen 2.850 N/A ALA 69.A N ASP 66.A OD1 no hydrogen 3.000 N/A ALA 70.A N ASP 66.A O no hydrogen 2.902 N/A GLU 71.A N PRO 67.A O no hydrogen 2.886 N/A GLU 72.A N ALA 68.A O no hydrogen 2.917 N/A VAL 73.A N ALA 69.A O no hydrogen 2.935 N/A CYS 74.A N ALA 70.A O no hydrogen 3.126 N/A PHE 75.A N GLU 71.A O no hydrogen 2.720 N/A GLY 76.A N GLU 72.A O no hydrogen 2.822 N/A HIS 78.A N GLU 82.A OE2 no hydrogen 3.046 N/A GLY 79.A N GLY 76.A O no hydrogen 3.028 N/A VAL 80.A N VAL 73.A O no hydrogen 2.907 N/A LEU 81.A N CYS 74.A O no hydrogen 3.132 N/A GLU 82.A N GLY 79.A O no hydrogen 3.061 N/A GLY 83.A N VAL 80.A O no hydrogen 2.934 N/A ILE 84.A N VAL 80.A O no hydrogen 2.931 N/A GLY 87.A N GLY 112.A O no hydrogen 2.797 N/A ARG 88.A N GLY 85.A O no hydrogen 2.989 N/A ARG 88.A NE VAL 54.A O no hydrogen 2.744 N/A ARG 88.A NH1 GLU 86.A OE1 no hydrogen 3.085 N/A ARG 88.A NH2 GLY 83.A O no hydrogen 2.907 N/A GLY 89.A N PRO 58.A O no hydrogen 2.710 N/A TYR 90.A N ARG 114.A O no hydrogen 2.874 N/A VAL 91.A N THR 60.A O no hydrogen 2.744 N/A ASP 92.A N LEU 116.A O no hydrogen 2.962 N/A MET 93.A N ALA 62.A O no hydrogen 2.722 N/A SER 94.A N ASP 92.A OD1 no hydrogen 3.025 N/A SER 94.A OG LEU 64.A O no hydrogen 3.416 N/A SER 94.A OG ASP 92.A OD1 no hydrogen 2.576 N/A THR 100.A N ASP 97.A OD2 no hydrogen 3.239 N/A THR 100.A OG1 ASP 97.A OD1 no hydrogen 2.571 N/A THR 100.A OG1 ASP 97.A OD2 no hydrogen 3.360 N/A SER 101.A N ASP 97.A O no hydrogen 3.231 N/A SER 101.A OG PRO 98.A O no hydrogen 3.133 N/A SER 101.A OG GLU 117.A OE2 no hydrogen 2.795 N/A GLN 102.A N PRO 98.A O no hydrogen 2.993 N/A GLN 102.A NE2 VAL 163.A O no hydrogen 3.004 N/A ARG 103.A N ALA 99.A O no hydrogen 2.988 N/A ARG 103.A NH1.A GLU 71.A OE2 no hydrogen 2.600 N/A ILE 104.A N THR 100.A O no hydrogen 3.003 N/A GLY 105.A N SER 101.A O no hydrogen 2.920 N/A VAL 106.A N GLN 102.A O no hydrogen 2.899 N/A ALA 107.A N ARG 103.A O no hydrogen 3.081 N/A VAL 108.A N ILE 104.A O no hydrogen 2.805 N/A VAL 109.A N GLY 105.A O no hydrogen 2.912 N/A ALA 110.A N VAL 106.A O no hydrogen 3.018 N/A LYS 111.A N ALA 107.A O no hydrogen 3.203 N/A LYS 111.A N VAL 108.A O no hydrogen 3.118 N/A GLY 112.A N VAL 109.A O no hydrogen 3.027 N/A GLY 113.A N VAL 108.A O no hydrogen 3.082 N/A ARG 114.A N ARG 88.A O no hydrogen 3.012 N/A ARG 114.A NE GLY 87.A O no hydrogen 2.795 N/A ARG 114.A NH2 GLY 87.A O no hydrogen 3.199 N/A ARG 114.A NH2 GLU 145.A OE2 no hydrogen 2.679 N/A LEU 116.A N TYR 90.A O no hydrogen 3.081 N/A GLU 117.A N ALA 137.A O no hydrogen 2.927 N/A ALA 118.A N ASP 92.A O no hydrogen 2.792 N/A SER 121.A N ILE 133.A O no hydrogen 2.862 N/A LYS 125.A NZ ASP 129.A OD2 no hydrogen 2.775 N/A ALA 127.A N SER 123.A O no hydrogen 2.877 N/A GLU 128.A N LYS 124.A O no hydrogen 2.945 N/A ASP 129.A N LYS 125.A O no hydrogen 2.914 N/A THR 131.A N PRO 126.A O no hydrogen 2.770 N/A LEU 132.A N MET 153.A O no hydrogen 3.471 N/A ILE 133.A N SER 121.A O no hydrogen 2.981 N/A ILE 134.A N LYS 156.A O no hydrogen 2.879 N/A LEU 135.A N PRO 119.A O no hydrogen 2.928 N/A ALA 136.A N ILE 158.A O no hydrogen 3.028 N/A ALA 137.A N GLU 117.A O no hydrogen 2.880 N/A GLY 138.A N GLY 161.A O no hydrogen 2.804 N/A ASP 139.A N PHE 115.A O no hydrogen 3.241 N/A LEU 142.A N ASP 139.A OD2 no hydrogen 2.898 N/A TYR 143.A N ASP 139.A O no hydrogen 2.935 N/A ASP 144.A N ARG 140.A O no hydrogen 2.921 N/A GLU 145.A N ASN 141.A O no hydrogen 2.857 N/A ALA 146.A N LEU 142.A O no hydrogen 2.772 N/A MET 147.A N ASP 144.A O no hydrogen 3.372 N/A GLY 149.A N ALA 146.A O no hydrogen 2.796 N/A PHE 150.A N ALA 146.A O no hydrogen 2.958 N/A GLU 151.A N MET 147.A O no hydrogen 2.840 N/A LYS 152.A N GLY 149.A O no hydrogen 2.922 N/A MET 153.A N PHE 150.A O no hydrogen 3.039 N/A GLY 154.A N PHE 150.A O no hydrogen 2.815 N/A LYS 155.A N LEU 132.A O no hydrogen 2.851 N/A ILE 158.A N ILE 134.A O no hydrogen 3.052 N/A HIS 159.A NE2 GLY 138.A O no hydrogen 2.882 N/A LEU 160.A N ALA 136.A O no hydrogen 2.864 N/A GLY 161.A N HIS 159.A ND1 no hydrogen 3.423 N/A GLY 164.A N GLU 117.A OE1 no hydrogen 2.587 N/A LYS 165.A N ASP 162.A O no hydrogen 3.157 N/A LYS 165.A NZ GLU 168.A OE1 no hydrogen 3.287 N/A ALA 167.A N GLU 117.A OE1 no hydrogen 3.075 N/A GLU 168.A N GLY 164.A O no hydrogen 2.920 N/A MET 169.A N LYS 165.A O no hydrogen 2.961 N/A LYS 170.A N GLY 166.A O no hydrogen 2.915 N/A LYS 170.A NZ VAL 120.A O no hydrogen 2.706 N/A LYS 170.A NZ ASN 174.A OD1 no hydrogen 2.969 N/A LEU 171.A N ALA 167.A O no hydrogen 2.906 N/A VAL 172.A N GLU 168.A O no hydrogen 2.963 N/A VAL 173.A N MET 169.A O no hydrogen 3.007 N/A ASN 174.A N LYS 170.A O no hydrogen 2.941 N/A MET 175.A N LEU 171.A O no hydrogen 2.962 N/A VAL 176.A N VAL 172.A O no hydrogen 3.273 N/A MET 177.A N VAL 173.A O no hydrogen 3.191 N/A GLY 178.A N ASN 174.A O no hydrogen 2.862 N/A GLY 179.A N MET 175.A O no hydrogen 3.034 N/A MET 180.A N VAL 176.A O no hydrogen 2.867 N/A MET 181.A N MET 177.A O no hydrogen 3.005 N/A ALA 182.A N GLY 178.A O no hydrogen 3.042 N/A CYS 183.A N GLY 179.A O no hydrogen 2.879 N/A CYS 183.A SG GLY 179.A O no hydrogen 3.348 N/A PHE 184.A N MET 180.A O no hydrogen 2.848 N/A CYS 185.A N MET 181.A O no hydrogen 2.925 N/A CYS 185.A SG MET 181.A O no hydrogen 3.342 N/A GLU 186.A N ALA 182.A O no hydrogen 3.041 N/A GLY 187.A N CYS 183.A O no hydrogen 2.979 N/A LEU 188.A N PHE 184.A O no hydrogen 2.987 N/A ALA 189.A N CYS 185.A O no hydrogen 2.920 N/A LEU 190.A N GLU 186.A O no hydrogen 2.905 N/A GLY 191.A N GLY 187.A O no hydrogen 2.905 N/A GLU 192.A N LEU 188.A O no hydrogen 2.990 N/A LYS 193.A N ALA 189.A O no hydrogen 3.089 N/A LYS 193.A NZ TYR 284.A O no hydrogen 3.201 N/A ALA 194.A N LEU 190.A O no hydrogen 2.961 N/A ALA 194.A N GLY 191.A O no hydrogen 3.067 N/A GLY 195.A N GLU 192.A O no hydrogen 3.108 N/A LEU 196.A N GLY 191.A O no hydrogen 2.969 N/A ALA 200.A N ALA 197.A O no hydrogen 3.076 N/A ILE 201.A N ALA 197.A O no hydrogen 3.237 N/A LEU 202.A N THR 198.A O no hydrogen 2.895 N/A ASP 203.A N ASP 199.A O no hydrogen 2.957 N/A VAL 204.A N ALA 200.A O no hydrogen 2.987 N/A ILE 205.A N ILE 201.A O no hydrogen 2.997 N/A GLY 206.A N LEU 202.A O no hydrogen 2.884 N/A ALA 207.A N VAL 204.A O no hydrogen 3.326 N/A GLY 208.A N ILE 205.A O no hydrogen 3.134 N/A ALA 211.A N GLY 208.A O no hydrogen 3.367 N/A ASN 212.A ND2 MET 210.A O no hydrogen 2.949 N/A PHE 215.A N ASN 212.A OD1 no hydrogen 2.781 N/A ALA 216.A N ASN 212.A O no hydrogen 3.046 N/A LEU 217.A N PRO 213.A O no hydrogen 2.846 N/A LYS 218.A N MET 214.A O no hydrogen 2.763 N/A LYS 218.A NZ ASP 276.A OD1 no hydrogen 3.154 N/A LYS 218.A NZ ASP 276.A OD2 no hydrogen 2.798 N/A GLY 219.A N PHE 215.A O no hydrogen 2.778 N/A LEU 221.A N LEU 217.A O no hydrogen 3.271 N/A ILE 222.A N LYS 218.A O no hydrogen 2.842 N/A ARG 223.A N GLY 219.A O no hydrogen 2.966 N/A ARG 223.A NE ASP 224.A OD1 no hydrogen 3.208 N/A ARG 223.A NH1 ASP 199.A OD1 no hydrogen 3.168 N/A ARG 223.A NH2 ASP 224.A OD1 no hydrogen 3.499 N/A ARG 223.A NH2 ASP 224.A OD2 no hydrogen 3.398 N/A ASP 224.A N GLY 220.A O no hydrogen 2.987 N/A ARG 225.A N ILE 222.A O no hydrogen 2.816 N/A ARG 225.A NE ILE 222.A O no hydrogen 3.264 N/A ASN 226.A N LEU 221.A O no hydrogen 2.894 N/A ALA 228.A N ASN 226.A OD1 no hydrogen 3.059 N/A ALA 230.A N ASP 276.A OD1 no hydrogen 3.030 N/A PHE 231.A N ASP 276.A OD1 no hydrogen 3.012 N/A LEU 233.A N GLU 275.A O no hydrogen 2.859 N/A LYS 234.A N GLY 273.A O no hydrogen 2.778 N/A LYS 234.A NZ ASP 274.A OD1 no hydrogen 2.894 N/A HIS 235.A N PRO 232.A O no hydrogen 2.872 N/A MET 236.A N PRO 232.A O no hydrogen 3.162 N/A GLN 237.A N LEU 233.A O no hydrogen 3.034 N/A GLN 237.A NE2 ASN 261.A OD1 no hydrogen 2.965 N/A LYS 238.A N LYS 234.A O no hydrogen 3.014 N/A LYS 238.A NZ ALA 65.A O no hydrogen 3.046 N/A LYS 238.A NZ THR 95.A O no hydrogen 3.051 N/A LYS 238.A NZ ASP 239.A OD1 no hydrogen 2.827 N/A ASP 239.A N HIS 235.A O no hydrogen 2.957 N/A LEU 240.A N MET 236.A O no hydrogen 3.015 N/A ARG 241.A N GLN 237.A O no hydrogen 2.874 N/A LEU 242.A N LYS 238.A O no hydrogen 2.937 N/A ALA 243.A N ASP 239.A O no hydrogen 2.899 N/A VAL 244.A N LEU 240.A O no hydrogen 2.977 N/A ALA 245.A N ARG 241.A O no hydrogen 3.090 N/A LEU 246.A N LEU 242.A O no hydrogen 2.956 N/A GLY 247.A N ALA 243.A O no hydrogen 2.819 N/A ASP 248.A N VAL 244.A O no hydrogen 2.876 N/A ARG 249.A N ALA 245.A O no hydrogen 2.934 N/A ARG 249.A NH2 GLU 168.A OE2 no hydrogen 3.091 N/A VAL 250.A N LEU 246.A O no hydrogen 2.871 N/A GLY 251.A N ASP 248.A O no hydrogen 3.473 N/A GLN 252.A N GLY 247.A O no hydrogen 2.749 N/A GLN 252.A NE2 PRO 253.A O no hydrogen 3.241 N/A ALA 258.A N LEU 254.A O no hydrogen 2.807 N/A ALA 259.A N VAL 255.A O no hydrogen 3.112 N/A ALA 260.A N ALA 256.A O no hydrogen 2.988 N/A ASN 261.A N SER 257.A O no hydrogen 2.909 N/A GLU 262.A N ALA 258.A O no hydrogen 3.081 N/A LEU 263.A N ALA 259.A O no hydrogen 2.961 N/A PHE 264.A N ALA 260.A O no hydrogen 2.858 N/A LYS 265.A N ASN 261.A O no hydrogen 2.979 N/A LYS 265.A NZ GLU 262.A OE1 no hydrogen 3.556 N/A LYS 265.A NZ GLU 262.A OE2 no hydrogen 2.972 N/A GLY 266.A N GLU 262.A O no hydrogen 2.953 N/A ALA 267.A N LEU 263.A O no hydrogen 3.029 N/A ARG 268.A N PHE 264.A O no hydrogen 2.958 N/A ARG 268.A NH1 GLN 237.A OE1 no hydrogen 2.887 N/A ALA 269.A N LYS 265.A O no hydrogen 2.966 N/A ALA 270.A N GLY 266.A O no hydrogen 2.958 N/A GLY 271.A N ARG 268.A O no hydrogen 3.003 N/A PHE 272.A N ALA 267.A O no hydrogen 3.039 N/A GLU 275.A N PHE 272.A O no hydrogen 2.946 N/A ASP 276.A N PHE 227.A O no hydrogen 2.861 N/A PHE 277.A N PHE 231.A O no hydrogen 2.915 N/A SER 278.A N ASP 276.A OD2 no hydrogen 3.188 N/A SER 278.A OG ASP 276.A OD2 no hydrogen 2.584 N/A ALA 279.A N ASP 276.A O no hydrogen 2.772 N/A ILE 280.A N PHE 277.A O no hydrogen 3.166 N/A PHE 281.A N SER 278.A O no hydrogen 3.044 N/A LYS 282.A N ALA 279.A O no hydrogen 2.848 N/A LYS 282.A NZ GLU 275.A OE1 no hydrogen 2.809 N/A LYS 282.A NZ GLU 275.A OE2 no hydrogen 3.450 N/A THR 283.A N ILE 280.A O no hydrogen 3.069 N/A THR 283.A OG1 ILE 280.A O no hydrogen 2.696 N/A TYR 284.A N PHE 281.A O no hydrogen 3.002 N/A TYR 284.A OH GLU 186.A OE2 no hydrogen 3.041 N/A