Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4g3e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N PRO 1.A O no hydrogen 3.466 N/A LEU 6.A N VAL 2.A O no hydrogen 2.816 N/A VAL 7.A N GLU 3.A O no hydrogen 2.967 N/A HIS 8.A N GLU 4.A O no hydrogen 3.085 N/A ALA 9.A N TYR 5.A O no hydrogen 3.115 N/A LEU 10.A N VAL 7.A O no hydrogen 2.949 N/A GLN 11.A N VAL 7.A O no hydrogen 2.967 N/A GLY 12.A N GLU 33.A OE1 no hydrogen 2.784 N/A SER 13.A N LEU 10.A O no hydrogen 3.382 N/A VAL 14.A N TYR 46.A O no hydrogen 2.947 N/A SER 15.A N GLY 34.A O no hydrogen 3.015 N/A GLY 17.A N LEU 36.A O no hydrogen 3.112 N/A LEU 22.A N GLN 18.A O no hydrogen 3.362 N/A ALA 23.A N ALA 19.A O no hydrogen 3.035 N/A SER 24.A N HIS 20.A O no hydrogen 3.112 N/A SER 24.A OG GLU 3.A OE2 no hydrogen 2.651 N/A SER 24.A OG HIS 20.A O no hydrogen 3.242 N/A LEU 25.A N SER 21.A O no hydrogen 3.184 N/A ALA 26.A N LEU 22.A O no hydrogen 2.796 N/A LYS 27.A N ALA 23.A O no hydrogen 3.090 N/A THR 28.A N LEU 25.A O no hydrogen 2.826 N/A THR 28.A OG1 LEU 25.A O no hydrogen 2.660 N/A TRP 29.A N ALA 26.A O no hydrogen 2.822 N/A TRP 29.A NE1 GLU 33.A OE2 no hydrogen 2.802 N/A ASN 32.A ND2 TYR 48.A O no hydrogen 2.938 N/A ASN 32.A ND2 ARG 115.A O no hydrogen 3.129 N/A GLU 33.A N ARG 115.A O no hydrogen 3.029 N/A GLY 34.A N SER 13.A O no hydrogen 2.893 N/A VAL 35.A N ALA 113.A O no hydrogen 2.997 N/A LEU 36.A N SER 15.A O no hydrogen 2.841 N/A LEU 37.A N TYR 111.A O no hydrogen 2.798 N/A THR 38.A OG1 GLU 39.A OE1 no hydrogen 3.186 N/A LYS 40.A N THR 38.A OG1 no hydrogen 3.015 N/A LEU 41.A N THR 38.A O no hydrogen 3.264 N/A LYS 42.A N ASP 74.A OD2 no hydrogen 3.312 N/A VAL 44.A N GLU 47.A O no hydrogen 2.862 N/A GLU 47.A N VAL 44.A O no hydrogen 3.018 N/A TYR 48.A N ASN 32.A OD1 no hydrogen 2.745 N/A TYR 48.A OH ASP 74.A OD2 no hydrogen 2.539 N/A ARG 49.A NE GLU 116.A OE1 no hydrogen 3.373 N/A ARG 49.A NH1 GLU 47.A OE1 no hydrogen 3.102 N/A GLU 50.A N GLU 116.A OE2 no hydrogen 2.735 N/A GLU 51.A N TRP 54.A O no hydrogen 2.549 N/A VAL 52.A N ARG 49.A O no hydrogen 3.067 N/A HIS 53.A N ARG 49.A O no hydrogen 2.914 N/A MET 55.A N LYS 73.A O no hydrogen 3.069 N/A THR 56.A N GLU 51.A OE2 no hydrogen 3.479 N/A HIS 57.A N ARG 71.A O no hydrogen 2.835 N/A ARG 60.A NH2 GLU 50.A OE2 no hydrogen 2.643 N/A ARG 63.A N VAL 69.A O no hydrogen 2.904 N/A ARG 63.A NE.B GLN 134.A OE1 no hydrogen 2.785 N/A PHE 66.A N GLU 68.A OE1 no hydrogen 2.936 N/A GLY 67.A N GLY 64.A O no hydrogen 3.179 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.775 N/A VAL 69.A N ARG 63.A O no hydrogen 2.986 N/A HIS 70.A N VAL 83.A O no hydrogen 2.859 N/A HIS 70.A ND1 VAL 61.A O no hydrogen 3.285 N/A ARG 71.A NH2 GLU 128.A OE2 no hydrogen 2.685 N/A MET 72.A N CYS 81.A O no hydrogen 2.723 N/A LYS 73.A N MET 55.A O no hydrogen 2.934 N/A ASP 74.A N PHE 79.A O no hydrogen 2.966 N/A LYS 75.A N HIS 53.A O no hydrogen 2.904 N/A LYS 75.A NZ GLU 51.A O no hydrogen 3.336 N/A GLN 76.A N ASP 74.A OD1 no hydrogen 2.939 N/A GLN 76.A NE2 HIS 53.A O no hydrogen 2.792 N/A THR 77.A N ASP 74.A OD1 no hydrogen 2.796 N/A THR 77.A OG1 LYS 40.A O no hydrogen 2.636 N/A GLY 78.A N ASP 74.A O no hydrogen 2.795 N/A PHE 79.A N THR 77.A OG1 no hydrogen 3.044 N/A CYS 81.A N MET 72.A O no hydrogen 3.000 N/A CYS 81.A SG ALA 82.A O no hydrogen 3.955 N/A ALA 82.A N MET 124.A O no hydrogen 2.949 N/A VAL 83.A N HIS 70.A O no hydrogen 2.902 N/A LYS 84.A N ILE 122.A O no hydrogen 2.703 N/A LYS 84.A NZ GLU 95.A OE2 no hydrogen 2.809 N/A LYS 84.A NZ ASP 189.A OD2 no hydrogen 2.676 N/A LYS 85.A N GLU 68.A O no hydrogen 2.994 N/A LYS 85.A NZ GLU 50.A OE1 no hydrogen 2.340 N/A LYS 85.A NZ GLU 50.A OE2 no hydrogen 3.258 N/A LYS 85.A NZ ASN 121.A OD1 no hydrogen 3.114 N/A VAL 86.A N VAL 120.A O no hydrogen 2.830 N/A LEU 88.A N PRO 118.A O no hydrogen 2.986 N/A VAL 90.A N ARG 87.A O no hydrogen 2.880 N/A PHE 91.A N LEU 88.A O no hydrogen 2.961 N/A ARG 92.A NH1 GLY 191.A O no hydrogen 3.170 N/A ARG 92.A NH1 ALA 193.A O no hydrogen 2.791 N/A ARG 92.A NH2 ALA 193.A O no hydrogen 2.798 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.832 N/A GLU 95.A N ARG 92.A O no hydrogen 2.997 N/A LEU 96.A N VAL 93.A O no hydrogen 3.135 N/A VAL 97.A N VAL 93.A O no hydrogen 2.983 N/A ALA 98.A N GLU 94.A O no hydrogen 2.884 N/A ALA 100.A N LEU 96.A O no hydrogen 2.802 N/A LEU 102.A N CYS 99.A O no hydrogen 3.399 N/A SER 103.A N TYR 160.A OH no hydrogen 3.079 N/A ARG 106.A N SER 104.A OG no hydrogen 3.082 N/A ILE 107.A N SER 104.A O no hydrogen 2.973 N/A VAL 108.A N LEU 187.A O no hydrogen 2.942 N/A TYR 111.A N PHE 123.A O no hydrogen 2.687 N/A ALA 113.A N VAL 35.A O no hydrogen 2.975 N/A VAL 114.A N ASN 121.A O no hydrogen 2.870 N/A ARG 115.A N GLU 33.A O no hydrogen 2.668 N/A GLU 116.A N TRP 119.A O no hydrogen 2.834 N/A GLY 117.A N ASP 31.A O no hydrogen 3.147 N/A TRP 119.A N GLU 116.A O no hydrogen 3.015 N/A VAL 120.A N VAL 86.A O no hydrogen 2.802 N/A ASN 121.A N VAL 114.A O no hydrogen 2.787 N/A ILE 122.A N LYS 84.A O no hydrogen 2.805 N/A PHE 123.A N GLY 112.A O no hydrogen 2.874 N/A MET 124.A N ALA 82.A O no hydrogen 2.968 N/A GLU 125.A N PRO 109.A O no hydrogen 3.335 N/A GLY 129.A N LEU 178.A O no hydrogen 2.875 N/A SER 131.A N GLN 134.A OE1 no hydrogen 2.985 N/A LEU 132.A N VAL 176.A O no hydrogen 2.733 N/A GLY 133.A N ALA 173.A O no hydrogen 3.091 N/A GLN 134.A N SER 131.A OG no hydrogen 3.081 N/A LEU 135.A N SER 131.A O no hydrogen 3.160 N/A ILE 136.A N LEU 132.A O no hydrogen 2.969 N/A LYS 137.A N GLY 133.A O no hydrogen 3.213 N/A GLN 138.A N GLN 134.A O no hydrogen 2.883 N/A MET 139.A N LEU 135.A O no hydrogen 2.773 N/A CYS 141.A SG LEU 232.A O no hydrogen 3.464 N/A CYS 141.A SG LYS 311.A O no hydrogen 3.558 N/A CYS 141.A SG GLU 312.A O no hydrogen 3.752 N/A LEU 142.A N MET 231.A O no hydrogen 2.759 N/A ARG 146.A NE TYR 150.A OH no hydrogen 3.361 N/A ARG 146.A NH1 SER 304.A O no hydrogen 2.794 N/A ARG 146.A NH2 GLY 182.A O no hydrogen 3.417 N/A ALA 147.A N PRO 143.A O no hydrogen 2.965 N/A LEU 148.A N GLU 144.A O no hydrogen 2.891 N/A TYR 149.A N ASP 145.A O no hydrogen 3.002 N/A TYR 149.A OH SER 183.A O no hydrogen 2.514 N/A TYR 150.A N ARG 146.A O no hydrogen 2.947 N/A TYR 150.A OH GLY 182.A O no hydrogen 2.620 N/A LEU 151.A N ALA 147.A O no hydrogen 2.841 N/A GLY 152.A N LEU 148.A O no hydrogen 2.865 N/A GLN 153.A N TYR 149.A O no hydrogen 3.394 N/A GLN 153.A NE2 ALA 185.A O no hydrogen 3.368 N/A ALA 154.A N TYR 150.A O no hydrogen 2.961 N/A LEU 155.A N LEU 151.A O no hydrogen 2.893 N/A GLU 156.A N GLY 152.A O no hydrogen 2.789 N/A GLY 157.A N GLN 153.A O no hydrogen 3.113 N/A LEU 158.A N ALA 154.A O no hydrogen 2.938 N/A GLU 159.A N LEU 155.A O no hydrogen 2.769 N/A TYR 160.A N GLU 156.A O no hydrogen 3.144 N/A LEU 161.A N GLY 157.A O no hydrogen 2.942 N/A HIS 162.A N LEU 158.A O no hydrogen 2.689 N/A HIS 162.A NE2 ASP 220.A OD2 no hydrogen 2.781 N/A THR 163.A N GLU 159.A O no hydrogen 2.964 N/A THR 163.A OG1 GLU 159.A O no hydrogen 3.146 N/A ARG 164.A N LEU 161.A O no hydrogen 2.958 N/A ARG 164.A NH1 TYR 160.A O no hydrogen 2.913 N/A ARG 165.A N HIS 162.A O no hydrogen 2.768 N/A ILE 166.A N LEU 161.A O no hydrogen 2.963 N/A LEU 167.A N LEU 194.A O no hydrogen 2.869 N/A HIS 168.A N ASP 220.A OD2 no hydrogen 2.885 N/A HIS 168.A NE2 CYS 188.A O no hydrogen 2.779 N/A GLY 169.A N ASP 220.A OD1 no hydrogen 3.018 N/A ASP 170.A N HIS 168.A ND1 no hydrogen 3.075 N/A LYS 172.A NZ THR 201.A OG1 no hydrogen 3.035 N/A ASN 175.A N LYS 172.A O no hydrogen 2.847 N/A ASN 175.A ND2 ASP 170.A O no hydrogen 2.735 N/A VAL 176.A N ALA 173.A O no hydrogen 3.069 N/A LEU 177.A N ALA 186.A O no hydrogen 2.786 N/A LEU 178.A N GLY 130.A O no hydrogen 2.897 N/A SER 179.A N ARG 184.A O no hydrogen 2.915 N/A SER 179.A OG ASP 181.A OD1 no hydrogen 3.227 N/A SER 179.A OG ARG 184.A O no hydrogen 3.527 N/A GLY 182.A N SER 179.A O no hydrogen 2.959 N/A SER 183.A N ASP 181.A OD1 no hydrogen 2.909 N/A SER 183.A OG ASP 181.A OD1 no hydrogen 2.887 N/A ARG 184.A N SER 179.A OG no hydrogen 3.121 N/A ALA 186.A N LEU 177.A O no hydrogen 2.802 N/A LEU 187.A N ARG 106.A O no hydrogen 2.798 N/A CYS 188.A N ASN 175.A O no hydrogen 2.876 N/A CYS 188.A SG ASN 175.A O no hydrogen 3.372 N/A GLY 191.A N ASP 189.A OD2 no hydrogen 3.390 N/A HIS 192.A ND1 ILE 198.A O no hydrogen 2.937 N/A ALA 193.A N PHE 190.A O no hydrogen 3.068 N/A LEU 194.A N LEU 167.A O no hydrogen 3.019 N/A LEU 196.A N ARG 165.A O no hydrogen 2.692 N/A THR 201.A N ASP 170.A OD1 no hydrogen 3.100 N/A THR 201.A OG1 ASP 170.A OD1 no hydrogen 2.856 N/A THR 203.A OG1 HIS 204.A ND1 no hydrogen 2.850 N/A THR 203.A OG1 HIS 236.A ND1 no hydrogen 2.748 N/A HIS 204.A N THR 201.A O no hydrogen 2.941 N/A HIS 204.A ND1 THR 203.A OG1 no hydrogen 2.850 N/A MET 205.A N GLU 202.A O no hydrogen 3.144 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.822 N/A VAL 210.A N ALA 206.A O no hydrogen 3.086 N/A MET 211.A N PRO 207.A O no hydrogen 2.767 N/A GLY 212.A N VAL 209.A O no hydrogen 2.994 N/A CYS 215.A SG LYS 213.A O no hydrogen 3.383 N/A LYS 218.A N ASP 216.A OD1 no hydrogen 3.002 N/A LYS 218.A NZ PRO 279.A O no hydrogen 2.772 N/A LYS 218.A NZ ARG 282.A O no hydrogen 2.901 N/A VAL 219.A N ASP 216.A O no hydrogen 3.044 N/A ASP 220.A N ALA 217.A O no hydrogen 2.930 N/A ILE 221.A N LYS 218.A O no hydrogen 3.004 N/A TRP 222.A N LYS 218.A O no hydrogen 3.307 N/A SER 223.A N VAL 219.A O no hydrogen 3.080 N/A SER 223.A OG HIS 204.A O no hydrogen 3.082 N/A SER 223.A OG VAL 219.A O no hydrogen 3.292 N/A SER 224.A N ASP 220.A O no hydrogen 2.937 N/A SER 224.A OG ILE 221.A O no hydrogen 2.672 N/A CYS 225.A N ILE 221.A O no hydrogen 3.099 N/A CYS 225.A SG ILE 221.A O no hydrogen 3.675 N/A CYS 225.A SG ILE 271.A O no hydrogen 3.947 N/A CYS 226.A N TRP 222.A O no hydrogen 3.023 N/A CYS 226.A SG THR 203.A O no hydrogen 3.924 N/A CYS 226.A SG TRP 222.A O no hydrogen 3.478 N/A MET 227.A N SER 223.A O no hydrogen 2.877 N/A MET 228.A N SER 224.A O no hydrogen 2.914 N/A LEU 229.A N CYS 225.A O no hydrogen 3.121 N/A HIS 230.A N CYS 226.A O no hydrogen 2.987 N/A MET 231.A N MET 227.A O no hydrogen 2.896 N/A LEU 232.A N MET 228.A O no hydrogen 2.957 N/A ASN 233.A N LEU 229.A O no hydrogen 2.848 N/A ASN 233.A ND2 GLU 258.A O no hydrogen 2.962 N/A GLY 234.A N HIS 230.A O no hydrogen 2.857 N/A CYS 235.A SG HIS 236.A O no hydrogen 3.975 N/A HIS 236.A ND1 THR 203.A OG1 no hydrogen 2.748 N/A TRP 238.A N GLU 258.A OE2 no hydrogen 2.934 N/A THR 239.A OG1 HIS 236.A O no hydrogen 2.624 N/A THR 239.A OG1 PRO 237.A O no hydrogen 3.526 N/A PHE 242.A N TRP 238.A O no hydrogen 3.081 N/A CYS 246.A SG GLU 202.A OE2 no hydrogen 3.101 N/A LEU 247.A N PRO 244.A O no hydrogen 3.072 N/A ILE 249.A N LEU 245.A O no hydrogen 3.291 N/A SER 251.A N LEU 247.A O no hydrogen 3.393 N/A SER 251.A OG LEU 247.A O no hydrogen 3.269 N/A GLU 252.A N LYS 248.A O no hydrogen 2.780 N/A ILE 256.A N PRO 254.A O no hydrogen 2.737 N/A GLU 258.A N PRO 255.A O no hydrogen 2.954 N/A ILE 259.A N ILE 256.A O no hydrogen 3.052 N/A CYS 263.A N PRO 260.A O no hydrogen 3.194 N/A ALA 264.A N GLU 144.A OE1 no hydrogen 2.681 N/A THR 267.A OG1 GLU 144.A OE1 no hydrogen 2.656 N/A ALA 268.A N ALA 264.A O no hydrogen 3.123 N/A GLN 269.A N PRO 265.A O no hydrogen 2.875 N/A GLN 269.A NE2 GLU 273.A OE2 no hydrogen 3.431 N/A ALA 270.A N LEU 266.A O no hydrogen 2.970 N/A ILE 271.A N THR 267.A O no hydrogen 3.012 N/A GLN 272.A N ALA 268.A O no hydrogen 3.013 N/A GLU 273.A N GLN 269.A O no hydrogen 3.049 N/A GLY 274.A N ALA 270.A O no hydrogen 3.066 N/A LEU 275.A N GLN 272.A O no hydrogen 3.177 N/A LYS 277.A NZ ILE 249.A O no hydrogen 3.542 N/A LYS 277.A NZ ALA 250.A O no hydrogen 2.730 N/A HIS 281.A N GLU 278.A O no hydrogen 3.024 N/A ARG 282.A N PRO 279.A O no hydrogen 3.041 N/A ARG 282.A NE ARG 276.A O no hydrogen 2.783 N/A ARG 282.A NH1 GLU 208.A OE2 no hydrogen 2.725 N/A ARG 282.A NH1 LYS 218.A O no hydrogen 2.964 N/A ARG 282.A NH2 GLU 208.A OE1 no hydrogen 2.837 N/A ARG 282.A NH2 GLU 208.A OE2 no hydrogen 3.432 N/A ARG 282.A NH2 ARG 276.A O no hydrogen 2.993 N/A ALA 283.A N GLU 273.A O no hydrogen 2.983 N/A SER 284.A N GLU 287.A OE1 no hydrogen 3.005 N/A GLU 287.A N SER 284.A OG no hydrogen 3.342 N/A LEU 288.A N SER 284.A O no hydrogen 2.930 N/A ARG 289.A N ALA 285.A O no hydrogen 2.865 N/A ARG 289.A NE GLU 159.A OE1 no hydrogen 2.620 N/A ARG 289.A NH2 GLU 159.A OE2 no hydrogen 2.743 N/A ARG 290.A N MET 286.A O no hydrogen 3.161 N/A LYS 291.A N GLU 287.A O no hydrogen 3.184 N/A LYS 291.A NZ GLU 273.A OE1 no hydrogen 2.703 N/A LYS 291.A NZ GLU 273.A OE2 no hydrogen 3.158 N/A VAL 292.A N LEU 288.A O no hydrogen 2.874 N/A GLY 293.A N ARG 289.A O no hydrogen 2.877 N/A LYS 294.A N ARG 290.A O no hydrogen 3.056 N/A LYS 294.A NZ GLU 298.A OE2 no hydrogen 3.203 N/A ALA 295.A N LYS 291.A O no hydrogen 2.742 N/A LEU 296.A N VAL 292.A O no hydrogen 2.861 N/A GLN 297.A N GLY 293.A O no hydrogen 3.158 N/A GLN 297.A NE2 GLY 293.A O no hydrogen 3.380 N/A GLU 298.A N LYS 294.A O no hydrogen 2.764 N/A GLY 300.A N GLN 297.A O no hydrogen 3.075 N/A GLY 301.A N LEU 296.A O no hydrogen 2.892 N/A LYS 303.A N ASP 145.A OD2 no hydrogen 2.817 N/A SER 304.A N ASP 145.A OD2 no hydrogen 2.947 N/A SER 304.A OG ASP 145.A OD1 no hydrogen 2.543 N/A SER 304.A OG ASP 145.A OD2 no hydrogen 3.036 N/A LYS 311.A N MET 139.A O no hydrogen 2.861 N/A ARG 314.A N ASN 233.A O no hydrogen 3.067 N/A ARG 314.A NH1 ASN 233.A OD1 no hydrogen 2.440 N/A ARG 314.A NH1 GLU 258.A O no hydrogen 2.675 N/A