Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fki_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.042 N/A GLN 5.A N ARG 22.A O no hydrogen 2.871 N/A VAL 7.A N LYS 20.A O no hydrogen 2.797 N/A ILE 10.A N VAL 18.A O no hydrogen 2.779 N/A GLY 11.A N VAL 18.A O no hydrogen 3.259 N/A GLY 13.A N GLY 16.A O no hydrogen 2.783 N/A TYR 15.A OH GLY 145.A O no hydrogen 2.703 N/A VAL 18.A N GLY 11.A O no hydrogen 2.821 N/A TYR 19.A N LEU 32.A O.A no hydrogen 2.918 N/A TYR 19.A N LEU 32.A O.B no hydrogen 2.819 N/A LYS 20.A N GLU 8.A O no hydrogen 2.742 N/A ALA 21.A N VAL 30.A O no hydrogen 2.889 N/A ARG 22.A N GLN 5.A O no hydrogen 2.789 N/A ARG 22.A NH1.A GLN 5.A OE1 no hydrogen 3.102 N/A ASN 23.A N GLU 28.A O no hydrogen 2.665 N/A LYS 24.A N ASN 3.A O no hydrogen 2.874 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.010 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.453 N/A GLY 27.A N ASN 23.A O no hydrogen 2.785 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.404 N/A VAL 30.A N ALA 21.A O no hydrogen 2.880 N/A ALA 31.A N PHE 72.A O no hydrogen 2.910 N/A LEU 32.A N.A TYR 19.A O no hydrogen 2.753 N/A LEU 32.A N.B TYR 19.A O no hydrogen 2.743 N/A LYS 33.A N LEU 70.A O no hydrogen 2.835 N/A LYS 33.A NZ GLY 16.A O no hydrogen 3.300 N/A LYS 34.A N VAL 17.A O no hydrogen 2.980 N/A ILE 35.A N LEU 68.A O no hydrogen 2.751 N/A ALA 40.A N PRO 37.A O no hydrogen 3.164 N/A ILE 41.A N PRO 37.A O no hydrogen 3.338 N/A ARG 42.A N SER 38.A O no hydrogen 3.078 N/A GLU 43.A N THR 39.A O no hydrogen 3.084 N/A ILE 44.A N ALA 40.A O no hydrogen 2.882 N/A SER 45.A N ILE 41.A O no hydrogen 2.893 N/A SER 45.A OG ILE 41.A O no hydrogen 2.805 N/A LEU 46.A N ARG 42.A O no hydrogen 3.156 N/A LEU 47.A N ILE 44.A O no hydrogen 2.896 N/A LYS 48.A N SER 45.A O no hydrogen 3.275 N/A LYS 48.A NZ.B LEU 59.A O no hydrogen 3.368 N/A LYS 48.A NZ.B ASP 60.A OD1 no hydrogen 3.241 N/A GLU 49.A N LEU 46.A O no hydrogen 3.366 N/A LEU 50.A N LEU 47.A O no hydrogen 3.140 N/A ASN 51.A N GLU 49.A O no hydrogen 2.966 N/A ASN 51.A ND2 LYS 48.A O no hydrogen 3.444 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 2.888 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.070 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 2.915 N/A ILE 55.A N HIS 52.A O no hydrogen 3.034 N/A VAL 56.A N LEU 135.A O no hydrogen 2.911 N/A LYS 57.A N GLU 73.A OE1 no hydrogen 2.955 N/A LEU 59.A N VAL 71.A O no hydrogen 2.741 N/A ASP 60.A N VAL 71.A O no hydrogen 3.275 N/A ILE 62.A N TYR 69.A O no hydrogen 2.777 N/A THR 64.A N LYS 67.A O no hydrogen 2.937 N/A LYS 67.A N THR 64.A O no hydrogen 2.822 N/A LEU 68.A N ILE 35.A O no hydrogen 3.309 N/A TYR 69.A N ILE 62.A O no hydrogen 2.760 N/A LEU 70.A N LYS 33.A O no hydrogen 2.904 N/A VAL 71.A N ASP 60.A O no hydrogen 2.870 N/A PHE 72.A N ALA 31.A O no hydrogen 2.804 N/A GLU 73.A N LYS 57.A O no hydrogen 2.867 N/A ASP 78.A N GLN 77.A OE1 no hydrogen 3.154 N/A LEU 79.A N LEU 125.A O no hydrogen 2.768 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.860 N/A LYS 81.A NZ ASP 78.A OD2 no hydrogen 3.050 N/A PHE 82.A N ASP 78.A O no hydrogen 3.047 N/A MET 83.A N LEU 79.A O no hydrogen 2.801 N/A ASP 84.A N LYS 80.A O no hydrogen 3.013 N/A ALA 85.A N LYS 81.A O no hydrogen 2.915 N/A SER 86.A N PHE 82.A O no hydrogen 3.037 N/A SER 86.A N MET 83.A O no hydrogen 3.275 N/A SER 86.A OG PHE 82.A O no hydrogen 2.815 N/A ALA 87.A N ASP 84.A O no hydrogen 3.282 N/A THR 89.A OG1.A GLY 90.A O no hydrogen 3.486 N/A GLY 90.A N SER 86.A O no hydrogen 2.624 N/A LEU 95.A N PRO 92.A O no hydrogen 2.944 N/A ILE 96.A N PRO 92.A O no hydrogen 3.023 N/A LYS 97.A N LEU 93.A O no hydrogen 2.862 N/A LYS 97.A NZ PHE 274.A O no hydrogen 2.922 N/A LYS 97.A NZ ASP 277.A OD1 no hydrogen 2.505 N/A SER 98.A N PRO 94.A O no hydrogen 2.996 N/A TYR 99.A N LEU 95.A O no hydrogen 2.901 N/A LEU 100.A N ILE 96.A O no hydrogen 2.880 N/A PHE 101.A N LYS 97.A O no hydrogen 2.915 N/A GLN 102.A N SER 98.A O no hydrogen 2.945 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.446 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.050 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.979 N/A LEU 103.A N TYR 99.A O no hydrogen 2.907 N/A LEU 104.A N LEU 100.A O no hydrogen 2.909 N/A GLN 105.A N PHE 101.A O no hydrogen 2.996 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.694 N/A GLY 106.A N GLN 102.A O no hydrogen 3.020 N/A LEU 107.A N.A LEU 103.A O no hydrogen 2.845 N/A LEU 107.A N.B LEU 103.A O no hydrogen 2.875 N/A ALA 108.A N LEU 104.A O no hydrogen 2.788 N/A PHE 109.A N GLN 105.A O no hydrogen 3.024 N/A CYS 110.A N.A GLY 106.A O no hydrogen 3.092 N/A CYS 110.A N.B GLY 106.A O no hydrogen 3.138 N/A CYS 110.A SG.A GLY 106.A O no hydrogen 3.664 N/A CYS 110.A SG.B GLY 106.A O no hydrogen 3.585 N/A CYS 110.A SG.B LEU 107.A O.A no hydrogen 3.219 N/A CYS 110.A SG.B LEU 107.A O.B no hydrogen 3.363 N/A CYS 110.A SG.B VAL 115.A O no hydrogen 3.575 N/A HIS 111.A N LEU 107.A O.A no hydrogen 2.836 N/A HIS 111.A N LEU 107.A O.B no hydrogen 2.825 N/A HIS 111.A NE2 ASP 174.A OD2 no hydrogen 2.887 N/A SER 112.A N ALA 108.A O no hydrogen 3.029 N/A SER 112.A OG PHE 109.A O no hydrogen 2.686 N/A HIS 113.A N CYS 110.A O.A no hydrogen 3.092 N/A HIS 113.A N CYS 110.A O.B no hydrogen 2.855 N/A ARG 114.A N HIS 111.A O no hydrogen 2.931 N/A VAL 115.A N CYS 110.A O.A no hydrogen 2.948 N/A VAL 115.A N CYS 110.A O.B no hydrogen 3.027 N/A HIS 117.A N ASP 174.A OD2 no hydrogen 2.854 N/A HIS 117.A NE2 ALA 136.A O no hydrogen 2.727 N/A ARG 118.A N ASP 174.A OD1 no hydrogen 2.875 N/A ASP 119.A N HIS 117.A ND1 no hydrogen 3.008 N/A LYS 121.A N ASN 124.A OD1.A no hydrogen 3.168 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 3.015 N/A GLN 123.A N GLN 123.A OE1.A no hydrogen 2.910 N/A ASN 124.A N LYS 121.A O no hydrogen 2.884 N/A ASN 124.A ND2.A ASP 119.A O no hydrogen 2.902 N/A ASN 124.A ND2.B ASP 119.A O no hydrogen 3.094 N/A LEU 125.A N PRO 122.A O no hydrogen 3.144 N/A LEU 126.A N LYS 134.A O no hydrogen 2.864 N/A ILE 127.A N GLN 77.A O no hydrogen 2.842 N/A ASN 128.A N ALA 132.A O no hydrogen 3.266 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 3.076 N/A GLY 131.A N ASN 128.A O no hydrogen 3.516 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 2.967 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.198 N/A LYS 134.A N LEU 126.A O no hydrogen 2.812 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.442 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 2.711 N/A LEU 135.A N ASN 54.A O no hydrogen 2.855 N/A ALA 136.A N ASN 124.A O no hydrogen 2.791 N/A LEU 140.A N ASP 137.A O no hydrogen 3.313 N/A ARG 142.A NE GLU 43.A OE1 no hydrogen 3.233 N/A ALA 143.A N GLY 139.A O no hydrogen 3.307 N/A PHE 144.A N LEU 140.A O no hydrogen 2.965 N/A ARG 146.A NH1 HIS 150.A O no hydrogen 3.164 N/A THR 147.A N GLU 151.A O no hydrogen 2.789 N/A THR 149.A N THR 147.A OG1 no hydrogen 3.377 N/A HIS 150.A N THR 147.A O no hydrogen 2.919 N/A GLU 151.A N THR 147.A OG1 no hydrogen 3.168 N/A TRP 156.A N THR 154.A OG1 no hydrogen 3.369 N/A TYR 157.A OH GLU 184.A OE1 no hydrogen 2.602 N/A ARG 158.A N LEU 155.A O no hydrogen 3.108 N/A ARG 158.A NH1.B ASP 119.A OD1 no hydrogen 3.088 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.739 N/A ILE 162.A N ALA 159.A O no hydrogen 3.012 N/A LEU 163.A N ALA 159.A O no hydrogen 3.289 N/A LEU 164.A N PRO 160.A O no hydrogen 2.871 N/A GLY 165.A N ILE 162.A O no hydrogen 3.024 N/A CYS 166.A N GLU 161.A O no hydrogen 2.984 N/A ALA 172.A N SER 170.A OG no hydrogen 3.076 N/A VAL 173.A N SER 170.A O no hydrogen 3.028 N/A ASP 174.A N THR 171.A O no hydrogen 3.034 N/A TRP 176.A N ALA 172.A O no hydrogen 3.082 N/A SER 177.A N VAL 173.A O no hydrogen 3.222 N/A SER 177.A OG TYR 157.A O no hydrogen 2.710 N/A SER 177.A OG VAL 173.A O no hydrogen 3.175 N/A LEU 178.A N ASP 174.A O no hydrogen 2.907 N/A GLY 179.A N ILE 175.A O no hydrogen 2.904 N/A CYS 180.A N TRP 176.A O no hydrogen 3.030 N/A CYS 180.A SG TRP 176.A O no hydrogen 3.563 N/A ILE 181.A N SER 177.A O no hydrogen 3.020 N/A PHE 182.A N LEU 178.A O no hydrogen 2.861 N/A ALA 183.A N GLY 179.A O no hydrogen 3.015 N/A GLU 184.A N CYS 180.A O no hydrogen 3.063 N/A MET 185.A N ILE 181.A O no hydrogen 2.875 N/A VAL 186.A N PHE 182.A O no hydrogen 3.087 N/A THR 187.A N ALA 183.A O no hydrogen 2.974 N/A THR 187.A OG1 ALA 183.A O no hydrogen 3.023 N/A THR 187.A OG1 ARG 189.A O.B no hydrogen 3.082 N/A ARG 188.A N GLU 184.A O no hydrogen 2.859 N/A ARG 188.A NH1 ALA 87.A O no hydrogen 3.429 N/A ARG 189.A N.A THR 187.A OG1 no hydrogen 3.398 N/A ARG 189.A N.B THR 187.A OG1 no hydrogen 3.408 N/A GLY 194.A N PHE 192.A O no hydrogen 2.899 N/A GLY 194.A N GLN 200.A OE1 no hydrogen 2.818 N/A ASP 195.A N ASP 199.A OD2 no hydrogen 3.144 N/A ASP 199.A N SER 196.A OG no hydrogen 3.098 N/A GLN 200.A N SER 196.A O no hydrogen 2.829 N/A GLN 200.A NE2 TRP 156.A O no hydrogen 3.267 N/A GLN 200.A NE2 PHE 192.A O no hydrogen 2.894 N/A LEU 201.A N.A GLU 197.A O no hydrogen 2.994 N/A LEU 201.A N.B GLU 197.A O no hydrogen 3.002 N/A PHE 202.A N ILE 198.A O no hydrogen 2.842 N/A ARG 203.A N ASP 199.A O no hydrogen 2.907 N/A ARG 203.A NE ASP 199.A OD2 no hydrogen 3.119 N/A ILE 204.A N GLN 200.A O no hydrogen 3.166 N/A PHE 205.A N LEU 201.A O.A no hydrogen 2.946 N/A PHE 205.A N LEU 201.A O.B no hydrogen 2.905 N/A ARG 206.A N PHE 202.A O no hydrogen 2.891 N/A THR 207.A N ARG 203.A O no hydrogen 3.336 N/A THR 207.A N ILE 204.A O no hydrogen 3.205 N/A THR 207.A OG1 ARG 203.A O no hydrogen 3.519 N/A LEU 208.A N ILE 204.A O no hydrogen 2.864 N/A GLY 209.A N PHE 205.A O no hydrogen 2.795 N/A THR 210.A N TRP 232.A O no hydrogen 2.969 N/A THR 210.A OG1 PRO 230.A O no hydrogen 2.689 N/A VAL 214.A N ASP 212.A OD1 no hydrogen 3.171 N/A VAL 215.A N ASP 212.A OD1 no hydrogen 3.250 N/A TRP 216.A N ASP 212.A O no hydrogen 2.957 N/A GLY 218.A N GLU 213.A OE1 no hydrogen 2.748 N/A VAL 219.A N TRP 216.A O no hydrogen 2.993 N/A THR 220.A N GLU 213.A OE2 no hydrogen 3.078 N/A THR 220.A OG1 GLU 213.A OE2 no hydrogen 2.596 N/A SER 221.A N.A GLY 218.A O no hydrogen 3.143 N/A SER 221.A N.B GLY 218.A O no hydrogen 3.107 N/A SER 221.A OG.A GLY 218.A O no hydrogen 2.907 N/A MET 222.A N VAL 219.A O no hydrogen 3.127 N/A ASP 224.A N LEU 164.A O no hydrogen 2.841 N/A TYR 225.A N MET 222.A O no hydrogen 3.097 N/A PHE 229.A N LYS 226.A O no hydrogen 2.951 N/A TRP 232.A N THR 210.A OG1 no hydrogen 2.938 N/A ARG 234.A NH1 LEU 208.A O no hydrogen 3.017 N/A GLN 235.A N THR 207.A O no hydrogen 2.851 N/A LYS 239.A N ASP 236.A O no hydrogen 2.955 N/A VAL 240.A N ASP 236.A O no hydrogen 3.361 N/A VAL 241.A N PHE 237.A O no hydrogen 2.928 N/A LEU 244.A N VAL 241.A O no hydrogen 2.959 N/A GLY 248.A N ASP 245.A OD1 no hydrogen 2.928 N/A ARG 249.A N ASP 245.A O no hydrogen 2.859 N/A ARG 249.A NH1 LEU 244.A O no hydrogen 2.711 N/A SER 250.A N GLU 246.A O no hydrogen 2.965 N/A LEU 251.A N ASP 247.A O no hydrogen 3.021 N/A LEU 252.A N GLY 248.A O no hydrogen 2.879 N/A SER 253.A N ARG 249.A O no hydrogen 2.872 N/A SER 253.A OG.A ARG 249.A O no hydrogen 3.456 N/A SER 253.A OG.A SER 250.A O no hydrogen 2.669 N/A GLN 254.A N SER 250.A O no hydrogen 3.146 N/A GLN 254.A NE2.A SER 250.A O no hydrogen 3.309 N/A GLN 254.A NE2.A SER 250.A OG no hydrogen 3.283 N/A MET 255.A N LEU 251.A O no hydrogen 2.981 N/A LEU 256.A N LEU 252.A O no hydrogen 2.997 N/A TYR 258.A OH GLY 209.A O no hydrogen 2.629 N/A ASN 261.A N ASP 259.A OD1 no hydrogen 2.999 N/A ASN 261.A ND2.B ASP 259.A OD1 no hydrogen 3.495 N/A LYS 262.A N ASP 259.A O no hydrogen 2.928 N/A LYS 262.A NZ.A VAL 215.A O no hydrogen 3.226 N/A LYS 262.A NZ.B VAL 215.A O no hydrogen 3.278 N/A LYS 262.A NZ.B ASP 259.A OD2 no hydrogen 2.801 N/A ARG 263.A N ASP 259.A O no hydrogen 3.062 N/A ARG 263.A NE HIS 257.A O no hydrogen 2.850 N/A ARG 263.A NH1 GLU 161.A OE1 no hydrogen 3.405 N/A ARG 263.A NH1 GLU 161.A OE2 no hydrogen 2.842 N/A ARG 263.A NH1 ALA 172.A O no hydrogen 3.013 N/A ARG 263.A NH2 GLU 161.A OE1 no hydrogen 2.888 N/A ARG 263.A NH2 HIS 257.A O no hydrogen 3.172 N/A ARG 263.A NH2 TYR 258.A O no hydrogen 2.959 N/A ILE 264.A N GLN 254.A O no hydrogen 3.102 N/A ALA 268.A N SER 265.A OG no hydrogen 2.978 N/A ALA 269.A N SER 265.A O no hydrogen 2.893 N/A LEU 270.A N ALA 266.A O no hydrogen 3.069 N/A ALA 271.A N ALA 268.A O no hydrogen 3.100 N/A HIS 272.A N ALA 269.A O no hydrogen 3.026 N/A PHE 274.A N HIS 272.A ND1 no hydrogen 2.928 N/A PHE 275.A N HIS 272.A O no hydrogen 2.969 N/A GLN 276.A N PRO 273.A O no hydrogen 3.018 N/A VAL 278.A N PHE 275.A O no hydrogen 3.078 N/A