Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ek8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE1 no hydrogen 3.494 N/A GLU 2.A N GLU 2.A OE1 no hydrogen 2.925 N/A PHE 4.A N MET 1.A O no hydrogen 2.814 N/A GLN 5.A N ARG 22.A O no hydrogen 2.832 N/A VAL 7.A N LYS 20.A O no hydrogen 2.751 N/A GLU 8.A N LYS 20.A O no hydrogen 3.392 N/A ILE 10.A N VAL 18.A O no hydrogen 2.874 N/A GLY 11.A N VAL 18.A O no hydrogen 3.126 N/A THR 14.A OG1 ASP 119.A OD2 no hydrogen 3.403 N/A GLY 16.A N GLY 13.A O no hydrogen 3.437 N/A VAL 18.A N GLY 11.A O no hydrogen 2.804 N/A TYR 19.A N LEU 32.A O no hydrogen 2.813 N/A LYS 20.A N GLU 8.A O no hydrogen 2.772 N/A ALA 21.A N VAL 30.A O no hydrogen 2.846 N/A ARG 22.A N GLN 5.A O no hydrogen 2.770 N/A ARG 22.A NH1 GLN 5.A OE1 no hydrogen 3.096 N/A ASN 23.A N GLU 28.A O no hydrogen 2.663 N/A LYS 24.A N ASN 3.A O no hydrogen 2.688 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.064 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.057 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.380 N/A GLY 27.A N ASN 23.A O no hydrogen 2.831 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.377 N/A VAL 30.A N ALA 21.A O no hydrogen 2.825 N/A ALA 31.A N PHE 72.A O no hydrogen 2.945 N/A LEU 32.A N TYR 19.A O no hydrogen 2.726 N/A LYS 33.A N LEU 70.A O no hydrogen 2.808 N/A LYS 33.A NZ GLY 16.A O no hydrogen 3.219 N/A LYS 34.A N VAL 17.A O no hydrogen 3.187 N/A ILE 35.A N LEU 68.A O no hydrogen 2.811 N/A ARG 36.A N TYR 15.A O no hydrogen 3.557 N/A ARG 36.A N LYS 34.A O no hydrogen 3.544 N/A ILE 41.A N PRO 37.A O no hydrogen 3.331 N/A ARG 42.A N SER 38.A O no hydrogen 3.120 N/A GLU 43.A N THR 39.A O no hydrogen 3.049 N/A ILE 44.A N ALA 40.A O no hydrogen 2.881 N/A SER 45.A N ILE 41.A O no hydrogen 2.883 N/A SER 45.A OG ILE 41.A O no hydrogen 2.929 N/A LEU 46.A N ARG 42.A O no hydrogen 3.109 N/A LEU 47.A N GLU 43.A O no hydrogen 3.355 N/A LEU 47.A N ILE 44.A O no hydrogen 2.926 N/A LYS 48.A N SER 45.A O no hydrogen 3.260 N/A GLU 49.A N LEU 46.A O no hydrogen 3.258 N/A LEU 50.A N LEU 47.A O no hydrogen 3.082 N/A ASN 51.A N GLU 49.A O no hydrogen 3.036 N/A ASN 51.A ND2 LYS 48.A O no hydrogen 3.459 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 2.971 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.100 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 2.946 N/A ILE 55.A N HIS 52.A O no hydrogen 2.954 N/A VAL 56.A N LEU 135.A O no hydrogen 2.887 N/A LYS 57.A N GLU 73.A OE1 no hydrogen 2.829 N/A LYS 57.A NZ ASN 51.A OD1 no hydrogen 3.466 N/A LEU 59.A N VAL 71.A O no hydrogen 2.689 N/A ASP 60.A N VAL 71.A O no hydrogen 3.252 N/A ILE 62.A N TYR 69.A O no hydrogen 2.860 N/A HIS 63.A ND1 LYS 67.A O no hydrogen 3.193 N/A THR 64.A N LYS 67.A O no hydrogen 2.996 N/A LYS 67.A N THR 64.A O no hydrogen 2.962 N/A TYR 69.A N ILE 62.A O no hydrogen 2.808 N/A LEU 70.A N LYS 33.A O no hydrogen 2.846 N/A VAL 71.A N ASP 60.A O no hydrogen 2.893 N/A PHE 72.A N ALA 31.A O no hydrogen 2.803 N/A GLU 73.A N LYS 57.A O no hydrogen 2.926 N/A GLN 77.A NE2 ARG 280.A O no hydrogen 3.618 N/A LEU 79.A N LEU 125.A O no hydrogen 2.769 N/A LYS 80.A NZ ASP 84.A OD2 no hydrogen 3.181 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.811 N/A LYS 81.A NZ.B ASP 78.A OD1 no hydrogen 3.041 N/A LYS 81.A NZ.B ASP 78.A OD2 no hydrogen 2.546 N/A PHE 82.A N ASP 78.A O no hydrogen 3.209 N/A MET 83.A N LEU 79.A O no hydrogen 2.733 N/A ASP 84.A N LYS 80.A O no hydrogen 2.956 N/A ALA 85.A N LYS 81.A O no hydrogen 2.958 N/A SER 86.A N PHE 82.A O no hydrogen 2.928 N/A SER 86.A OG PHE 82.A O no hydrogen 2.850 N/A ALA 87.A N ASP 84.A O no hydrogen 3.218 N/A THR 89.A OG1 SER 86.A O no hydrogen 3.424 N/A GLY 90.A N SER 86.A O no hydrogen 2.609 N/A LEU 95.A N PRO 92.A O no hydrogen 2.940 N/A ILE 96.A N PRO 92.A O no hydrogen 3.047 N/A LYS 97.A N LEU 93.A O no hydrogen 2.858 N/A LYS 97.A NZ PHE 268.A O no hydrogen 2.966 N/A LYS 97.A NZ ASP 271.A OD1 no hydrogen 2.534 N/A SER 98.A N PRO 94.A O no hydrogen 2.952 N/A SER 98.A OG THR 273.A O no hydrogen 3.313 N/A TYR 99.A N LEU 95.A O no hydrogen 2.893 N/A LEU 100.A N ILE 96.A O no hydrogen 2.836 N/A PHE 101.A N LYS 97.A O no hydrogen 2.910 N/A GLN 102.A N SER 98.A O no hydrogen 2.960 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.475 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.045 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.945 N/A LEU 103.A N TYR 99.A O no hydrogen 2.945 N/A LEU 104.A N LEU 100.A O no hydrogen 2.904 N/A GLN 105.A N PHE 101.A O no hydrogen 3.028 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.658 N/A GLY 106.A N GLN 102.A O no hydrogen 3.011 N/A LEU 107.A N.A LEU 103.A O no hydrogen 2.842 N/A LEU 107.A N.B LEU 103.A O no hydrogen 2.860 N/A ALA 108.A N LEU 104.A O no hydrogen 2.823 N/A PHE 109.A N GLN 105.A O no hydrogen 2.992 N/A CYS 110.A N GLY 106.A O no hydrogen 3.059 N/A CYS 110.A SG.A GLY 106.A O no hydrogen 3.668 N/A CYS 110.A SG.B GLY 106.A O no hydrogen 3.452 N/A CYS 110.A SG.B LEU 107.A O.A no hydrogen 3.200 N/A CYS 110.A SG.B LEU 107.A O.B no hydrogen 3.260 N/A CYS 110.A SG.B VAL 115.A O no hydrogen 3.580 N/A HIS 111.A N LEU 107.A O.A no hydrogen 2.852 N/A HIS 111.A N LEU 107.A O.B no hydrogen 2.778 N/A HIS 111.A NE2 ASP 168.A OD2 no hydrogen 2.819 N/A SER 112.A N ALA 108.A O no hydrogen 2.979 N/A SER 112.A OG PHE 109.A O no hydrogen 2.663 N/A HIS 113.A N CYS 110.A O no hydrogen 2.855 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 3.207 N/A ARG 114.A N HIS 111.A O no hydrogen 3.033 N/A VAL 115.A N CYS 110.A O no hydrogen 3.006 N/A HIS 117.A N ASP 168.A OD2 no hydrogen 2.836 N/A HIS 117.A NE2 ALA 136.A O no hydrogen 2.619 N/A ARG 118.A N ASP 168.A OD1 no hydrogen 2.813 N/A ASP 119.A N HIS 117.A ND1 no hydrogen 2.986 N/A LYS 121.A N ASN 124.A OD1 no hydrogen 3.105 N/A LYS 121.A NZ THR 14.A OG1 no hydrogen 2.849 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 2.898 N/A GLN 123.A N.A GLN 123.A OE1.A no hydrogen 2.805 N/A ASN 124.A N LYS 121.A O no hydrogen 2.908 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.838 N/A LEU 125.A N PRO 122.A O no hydrogen 3.212 N/A LEU 126.A N LYS 134.A O no hydrogen 2.857 N/A ILE 127.A N GLN 77.A O no hydrogen 2.864 N/A ASN 128.A N ALA 132.A O no hydrogen 3.251 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 2.996 N/A GLY 131.A N ASN 128.A O no hydrogen 3.525 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 2.995 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.136 N/A LYS 134.A N LEU 126.A O no hydrogen 2.771 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.316 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.169 N/A LEU 135.A N ASN 54.A O no hydrogen 2.879 N/A ALA 136.A N ASN 124.A O no hydrogen 2.814 N/A LEU 140.A N ASP 137.A O no hydrogen 3.408 N/A PHE 144.A N LEU 140.A O no hydrogen 2.825 N/A TRP 150.A N THR 148.A OG1 no hydrogen 3.331 N/A TYR 151.A OH GLU 178.A OE1 no hydrogen 2.645 N/A ARG 152.A N LEU 149.A O no hydrogen 3.097 N/A ARG 152.A NH1.B ASP 119.A OD1 no hydrogen 3.098 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.725 N/A ILE 156.A N ALA 153.A O no hydrogen 3.072 N/A LEU 157.A N ALA 153.A O no hydrogen 3.343 N/A LEU 158.A N PRO 154.A O no hydrogen 2.865 N/A GLY 159.A N ILE 156.A O no hydrogen 3.023 N/A CYS 160.A N GLU 155.A O no hydrogen 2.966 N/A ALA 166.A N SER 164.A OG no hydrogen 3.119 N/A VAL 167.A N SER 164.A O no hydrogen 3.046 N/A ASP 168.A N THR 165.A O no hydrogen 3.082 N/A TRP 170.A N ALA 166.A O no hydrogen 3.077 N/A SER 171.A N VAL 167.A O no hydrogen 3.178 N/A SER 171.A OG TYR 151.A O no hydrogen 2.663 N/A SER 171.A OG VAL 167.A O no hydrogen 3.181 N/A LEU 172.A N ASP 168.A O no hydrogen 2.902 N/A GLY 173.A N ILE 169.A O no hydrogen 2.903 N/A CYS 174.A N TRP 170.A O no hydrogen 3.007 N/A CYS 174.A SG TRP 170.A O no hydrogen 3.530 N/A ILE 175.A N SER 171.A O no hydrogen 3.040 N/A PHE 176.A N LEU 172.A O no hydrogen 2.835 N/A ALA 177.A N GLY 173.A O no hydrogen 3.003 N/A GLU 178.A N CYS 174.A O no hydrogen 3.101 N/A MET 179.A N ILE 175.A O no hydrogen 2.898 N/A VAL 180.A N PHE 176.A O no hydrogen 3.160 N/A THR 181.A N ALA 177.A O no hydrogen 2.949 N/A THR 181.A OG1 ALA 177.A O no hydrogen 3.047 N/A ARG 182.A N GLU 178.A O no hydrogen 2.869 N/A ARG 182.A NH1 ALA 87.A O no hydrogen 3.418 N/A GLY 188.A N PHE 186.A O no hydrogen 2.955 N/A GLY 188.A N GLN 194.A OE1 no hydrogen 2.819 N/A ASP 189.A N ASP 193.A OD2 no hydrogen 3.158 N/A ASP 193.A N SER 190.A OG no hydrogen 3.115 N/A GLN 194.A N SER 190.A O no hydrogen 2.898 N/A GLN 194.A NE2 TRP 150.A O no hydrogen 3.250 N/A GLN 194.A NE2 PHE 186.A O no hydrogen 2.887 N/A LEU 195.A N GLU 191.A O no hydrogen 3.020 N/A PHE 196.A N ILE 192.A O no hydrogen 2.802 N/A ARG 197.A N ASP 193.A O no hydrogen 2.835 N/A ARG 197.A NE ASP 193.A OD2 no hydrogen 3.021 N/A ILE 198.A N GLN 194.A O no hydrogen 3.122 N/A PHE 199.A N LEU 195.A O no hydrogen 2.909 N/A ARG 200.A N PHE 196.A O no hydrogen 2.918 N/A THR 201.A N ARG 197.A O no hydrogen 3.379 N/A THR 201.A N ILE 198.A O no hydrogen 3.244 N/A LEU 202.A N ILE 198.A O no hydrogen 2.862 N/A THR 204.A N TRP 226.A O no hydrogen 2.949 N/A THR 204.A OG1 PRO 224.A O no hydrogen 2.659 N/A VAL 209.A N ASP 206.A OD1 no hydrogen 3.097 N/A TRP 210.A N ASP 206.A O no hydrogen 2.871 N/A GLY 212.A N GLU 207.A OE1 no hydrogen 2.748 N/A VAL 213.A N TRP 210.A O no hydrogen 2.969 N/A THR 214.A N GLU 207.A OE2 no hydrogen 3.029 N/A THR 214.A OG1 GLU 207.A OE2 no hydrogen 2.677 N/A SER 215.A N GLY 212.A O no hydrogen 3.130 N/A MET 216.A N VAL 213.A O no hydrogen 3.196 N/A ASP 218.A N LEU 158.A O no hydrogen 2.819 N/A TYR 219.A N MET 216.A O no hydrogen 3.101 N/A PHE 223.A N LYS 220.A O no hydrogen 2.900 N/A TRP 226.A N THR 204.A OG1 no hydrogen 3.001 N/A ARG 228.A NH1 LEU 202.A O no hydrogen 2.966 N/A GLN 229.A N THR 201.A O no hydrogen 2.852 N/A LYS 233.A N ASP 230.A O no hydrogen 2.949 N/A VAL 235.A N PHE 231.A O no hydrogen 2.893 N/A LEU 238.A N VAL 235.A O no hydrogen 2.978 N/A GLY 242.A N ASP 239.A OD1 no hydrogen 2.895 N/A ARG 243.A N ASP 239.A O no hydrogen 2.865 N/A ARG 243.A NH1 LEU 238.A O no hydrogen 2.733 N/A SER 244.A N GLU 240.A O no hydrogen 2.909 N/A SER 244.A OG HIS 266.A NE2 no hydrogen 3.122 N/A LEU 245.A N ASP 241.A O no hydrogen 2.971 N/A LEU 246.A N GLY 242.A O no hydrogen 2.893 N/A SER 247.A N ARG 243.A O no hydrogen 2.895 N/A SER 247.A OG.A ARG 243.A O no hydrogen 3.563 N/A SER 247.A OG.A SER 244.A O no hydrogen 2.717 N/A GLN 248.A N SER 244.A O no hydrogen 3.143 N/A MET 249.A N LEU 245.A O no hydrogen 2.979 N/A LEU 250.A N LEU 246.A O no hydrogen 2.983 N/A LEU 250.A N SER 247.A O no hydrogen 3.327 N/A TYR 252.A OH GLY 203.A O no hydrogen 2.587 N/A ASN 255.A N ASP 253.A OD1 no hydrogen 2.970 N/A ASN 255.A ND2 ASP 253.A OD1 no hydrogen 3.300 N/A LYS 256.A N ASP 253.A O no hydrogen 2.816 N/A LYS 256.A NZ VAL 209.A O no hydrogen 3.426 N/A LYS 256.A NZ ASP 253.A OD2 no hydrogen 2.840 N/A ARG 257.A N ASP 253.A O no hydrogen 3.046 N/A ARG 257.A NE HIS 251.A O no hydrogen 2.864 N/A ARG 257.A NH1 GLU 155.A OE1 no hydrogen 3.397 N/A ARG 257.A NH1 GLU 155.A OE2 no hydrogen 2.818 N/A ARG 257.A NH1 ALA 166.A O no hydrogen 2.942 N/A ARG 257.A NH2 GLU 155.A OE1 no hydrogen 2.875 N/A ARG 257.A NH2 HIS 251.A O no hydrogen 3.223 N/A ARG 257.A NH2 TYR 252.A O no hydrogen 2.961 N/A ILE 258.A N GLN 248.A O no hydrogen 3.044 N/A ALA 262.A N SER 259.A OG no hydrogen 3.048 N/A ALA 263.A N SER 259.A O no hydrogen 2.902 N/A LEU 264.A N ALA 260.A O no hydrogen 3.066 N/A ALA 265.A N ALA 262.A O no hydrogen 3.106 N/A HIS 266.A N ALA 263.A O no hydrogen 3.036 N/A HIS 266.A NE2 SER 244.A OG no hydrogen 3.122 N/A PHE 268.A N HIS 266.A ND1 no hydrogen 2.900 N/A PHE 269.A N HIS 266.A O no hydrogen 2.947 N/A GLN 270.A N PRO 267.A O no hydrogen 3.015 N/A VAL 272.A N PHE 269.A O no hydrogen 3.146 N/A