Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6fck_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 75.A OE2 no hydrogen 2.995 N/A VAL 5.A N ALA 1.A O no hydrogen 2.869 N/A GLU 6.A N VAL 2.A O no hydrogen 3.165 N/A GLU 6.A N PRO 3.A O no hydrogen 3.051 N/A ASP 7.A N PRO 3.A O no hydrogen 3.343 N/A ASP 7.A N PHE 4.A O no hydrogen 3.184 N/A TRP 8.A N PHE 4.A O no hydrogen 2.780 N/A ASP 9.A N VAL 26.A O no hydrogen 2.777 N/A VAL 11.A N LEU 24.A O no hydrogen 2.840 N/A THR 13.A OG1 GLN 23.A OE1 no hydrogen 2.641 N/A LEU 14.A N VAL 22.A O no hydrogen 2.711 N/A GLY 15.A N VAL 22.A O no hydrogen 3.396 N/A GLY 17.A N GLY 20.A O no hydrogen 2.927 N/A GLU 21.A N ILE 38.A O no hydrogen 3.171 N/A VAL 22.A N GLY 15.A O no hydrogen 2.838 N/A GLN 23.A N VAL 36.A O no hydrogen 2.842 N/A LEU 24.A N GLN 12.A O no hydrogen 2.852 N/A ALA 25.A N VAL 34.A O.A no hydrogen 2.881 N/A ALA 25.A N VAL 34.A O.B no hydrogen 2.878 N/A VAL 26.A N ASP 9.A O no hydrogen 2.797 N/A ASN 27.A N GLU 32.A O no hydrogen 2.874 N/A ARG 28.A N ASP 7.A O no hydrogen 2.876 N/A ARG 28.A NE GLU 6.A O no hydrogen 3.280 N/A ARG 28.A NH1 VAL 5.A O no hydrogen 3.016 N/A VAL 29.A N ASN 27.A OD1 no hydrogen 2.936 N/A THR 30.A N ASN 27.A OD1 no hydrogen 3.019 N/A GLU 31.A N ASN 27.A O no hydrogen 2.800 N/A GLU 32.A N THR 30.A OG1 no hydrogen 3.153 N/A VAL 34.A N.A ALA 25.A O no hydrogen 2.906 N/A VAL 34.A N.B ALA 25.A O no hydrogen 2.917 N/A ALA 35.A N LEU 83.A O no hydrogen 2.822 N/A VAL 36.A N GLN 23.A O no hydrogen 2.821 N/A LYS 37.A N LEU 81.A O no hydrogen 2.863 N/A LYS 37.A NZ GLU 54.A OE2 no hydrogen 3.326 N/A ILE 38.A N GLU 21.A O no hydrogen 2.780 N/A VAL 39.A N GLN 79.A O no hydrogen 2.925 N/A ASP 40.A N TYR 19.A O no hydrogen 3.386 N/A MET 41.A N ASN 77.A O no hydrogen 2.844 N/A LYS 42.A N ASP 40.A OD1 no hydrogen 3.237 N/A LYS 42.A NZ ASN 77.A OD1 no hydrogen 2.820 N/A ARG 43.A N ASP 40.A O no hydrogen 3.291 N/A ARG 43.A NH1 ALA 18.A O no hydrogen 3.202 N/A ALA 44.A N MET 41.A O no hydrogen 3.493 N/A ASN 50.A N ASP 46.A O no hydrogen 2.928 N/A ILE 51.A N CYS 47.A O no hydrogen 2.781 N/A LYS 52.A N PRO 48.A O no hydrogen 3.046 N/A LYS 53.A N GLU 49.A O no hydrogen 3.120 N/A LYS 53.A NZ THR 152.A OG1 no hydrogen 3.301 N/A GLU 54.A N ASN 50.A O no hydrogen 3.144 N/A ILE 55.A N ILE 51.A O no hydrogen 2.781 N/A CYS 56.A N LYS 52.A O no hydrogen 2.800 N/A ILE 57.A N LYS 53.A O no hydrogen 2.741 N/A ASN 58.A N GLU 54.A O no hydrogen 2.844 N/A ASN 58.A ND2 GLU 54.A O no hydrogen 2.991 N/A LYS 59.A N ILE 55.A O no hydrogen 2.994 N/A LYS 59.A NZ HIS 72.A NE2 no hydrogen 3.098 N/A MET 60.A N ILE 57.A O no hydrogen 3.027 N/A LEU 61.A N ASN 58.A O no hydrogen 3.281 N/A ASN 62.A N TYR 119.A OH no hydrogen 2.936 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 2.950 N/A ASN 65.A ND2 LEU 143.A O no hydrogen 2.839 N/A VAL 66.A N HIS 63.A O no hydrogen 3.188 N/A VAL 67.A N ILE 145.A O no hydrogen 2.918 N/A LYS 68.A N GLU 84.A OE2 no hydrogen 2.968 N/A TYR 70.A N PHE 82.A O no hydrogen 2.767 N/A ARG 73.A N TYR 80.A O no hydrogen 2.931 N/A ARG 73.A NE GLU 75.A OE2 no hydrogen 2.900 N/A ARG 74.A NH1 GLY 76.A O no hydrogen 2.809 N/A GLU 75.A N ILE 78.A O no hydrogen 2.771 N/A ILE 78.A N GLU 75.A O no hydrogen 3.248 N/A GLN 79.A N VAL 39.A O no hydrogen 2.803 N/A TYR 80.A N ARG 73.A O no hydrogen 2.796 N/A LEU 81.A N LYS 37.A O no hydrogen 2.853 N/A PHE 82.A N GLY 71.A O no hydrogen 2.845 N/A LEU 83.A N ALA 35.A O no hydrogen 2.836 N/A GLU 84.A N LYS 68.A O no hydrogen 2.955 N/A CYS 86.A SG GLU 84.A O no hydrogen 3.739 N/A GLY 88.A N LEU 137.A O no hydrogen 2.746 N/A GLY 89.A N CYS 86.A O no hydrogen 3.193 N/A LEU 91.A N LEU 135.A O no hydrogen 2.778 N/A PHE 92.A N PRO 132.A O no hydrogen 3.204 N/A ASP 93.A N GLU 90.A O no hydrogen 3.135 N/A ARG 94.A N LEU 91.A O no hydrogen 2.864 N/A ARG 94.A NH1 ASP 141.A OD1 no hydrogen 3.014 N/A ARG 94.A NH1 ASP 141.A OD2 no hydrogen 2.955 N/A ARG 94.A NH2 GLY 88.A O no hydrogen 2.955 N/A ARG 94.A NH2 ASP 141.A OD1 no hydrogen 2.770 N/A ILE 95.A N PHE 92.A O no hydrogen 3.129 N/A GLU 96.A N GLY 100.A O no hydrogen 2.903 N/A ASP 98.A N GLY 203.A O no hydrogen 2.788 N/A ILE 99.A N GLU 96.A O no hydrogen 2.971 N/A GLY 100.A N GLU 96.A O no hydrogen 2.832 N/A ALA 106.A N PRO 102.A O no hydrogen 3.129 N/A GLN 107.A N GLU 103.A O no hydrogen 2.900 N/A GLN 107.A NE2 TRP 263.A O no hydrogen 2.857 N/A GLN 107.A NE2 LYS 266.A O no hydrogen 2.773 N/A ARG 108.A N PRO 104.A O no hydrogen 3.007 N/A ARG 108.A NH1 ASP 141.A O no hydrogen 2.933 N/A ARG 108.A NH2 ASP 141.A O no hydrogen 3.061 N/A PHE 109.A N ASP 105.A O no hydrogen 3.016 N/A PHE 110.A N ALA 106.A O no hydrogen 2.921 N/A HIS 111.A N GLN 107.A O no hydrogen 2.929 N/A HIS 111.A NE2 TYR 264.A O no hydrogen 2.736 N/A GLN 112.A N ARG 108.A O no hydrogen 3.118 N/A GLN 112.A NE2 ASN 142.A OD1 no hydrogen 3.357 N/A LEU 113.A N PHE 109.A O no hydrogen 2.787 N/A MET 114.A N PHE 110.A O no hydrogen 2.892 N/A ALA 115.A N HIS 111.A O no hydrogen 2.982 N/A GLY 116.A N GLN 112.A O no hydrogen 3.065 N/A VAL 117.A N LEU 113.A O no hydrogen 2.866 N/A VAL 118.A N MET 114.A O no hydrogen 2.791 N/A TYR 119.A N ALA 115.A O no hydrogen 3.082 N/A TYR 119.A OH MET 60.A O no hydrogen 3.295 N/A LEU 120.A N GLY 116.A O no hydrogen 3.037 N/A HIS 121.A N VAL 117.A O no hydrogen 2.943 N/A HIS 121.A NE2 ASP 189.A OD2 no hydrogen 2.739 N/A GLY 122.A N VAL 118.A O no hydrogen 2.882 N/A ILE 123.A N TYR 119.A O no hydrogen 3.251 N/A ILE 123.A N LEU 120.A O no hydrogen 3.074 N/A GLY 124.A N HIS 121.A O no hydrogen 3.011 N/A ILE 125.A N LEU 120.A O no hydrogen 2.877 N/A THR 126.A N THR 152.A O no hydrogen 3.000 N/A THR 126.A OG1 ASP 189.A OD2 no hydrogen 2.735 N/A HIS 127.A N ASP 189.A OD2 no hydrogen 3.122 N/A HIS 127.A NE2 SER 146.A O no hydrogen 2.722 N/A ARG 128.A N ASP 189.A OD1 no hydrogen 3.023 N/A ARG 128.A NE LEU 150.A O no hydrogen 2.684 N/A ARG 128.A NH2 LEU 150.A O no hydrogen 3.007 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 2.970 N/A LYS 131.A NZ THR 169.A OG1 no hydrogen 2.977 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.747 N/A ASN 134.A N LYS 131.A O no hydrogen 2.918 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.880 N/A ASN 134.A ND2 ASP 129.A OD1 no hydrogen 3.158 N/A LEU 135.A N PRO 132.A O no hydrogen 3.485 N/A LEU 136.A N LYS 144.A O no hydrogen 2.804 N/A LEU 137.A N GLY 89.A O no hydrogen 2.781 N/A ASP 138.A N ASN 142.A O no hydrogen 3.035 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.813 N/A ARG 140.A N ASP 138.A OD2 no hydrogen 2.880 N/A ASP 141.A N ASP 138.A O no hydrogen 3.168 N/A ASN 142.A N ASP 138.A OD2 no hydrogen 2.800 N/A ASN 142.A ND2 ASP 138.A OD1 no hydrogen 3.164 N/A ASN 142.A ND2 ASP 138.A OD2 no hydrogen 3.489 N/A LEU 143.A N GLN 112.A OE1 no hydrogen 2.766 N/A LYS 144.A N LEU 136.A O no hydrogen 2.789 N/A LYS 144.A NZ GLU 64.A O no hydrogen 2.780 N/A ILE 145.A N ASN 65.A O no hydrogen 2.814 N/A SER 146.A N ASN 134.A O no hydrogen 2.910 N/A SER 146.A OG ASP 147.A OD1 no hydrogen 2.654 N/A ALA 151.A N PHE 148.A O no hydrogen 3.176 N/A THR 152.A N THR 126.A O no hydrogen 3.108 N/A PHE 154.A N GLY 124.A O no hydrogen 2.885 N/A ARG 155.A NH1 HIS 121.A O no hydrogen 2.977 N/A ARG 155.A NH2 HIS 121.A O no hydrogen 3.072 N/A TYR 156.A N ARG 159.A O no hydrogen 2.937 N/A ARG 159.A N TYR 156.A O no hydrogen 2.862 N/A ARG 159.A NH1 ASN 158.A O no hydrogen 3.049 N/A ARG 161.A N PHE 154.A O no hydrogen 2.889 N/A ARG 161.A NE VAL 153.A O no hydrogen 2.875 N/A ARG 161.A NH1 VAL 153.A O no hydrogen 2.856 N/A LEU 163.A N PHE 183.A O no hydrogen 2.913 N/A LYS 165.A NZ ASN 164.A OD1 no hydrogen 2.892 N/A THR 169.A OG1 ASP 129.A OD2 no hydrogen 2.908 N/A TYR 172.A N THR 169.A O no hydrogen 2.833 N/A VAL 173.A N LEU 170.A O no hydrogen 3.172 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.781 N/A LEU 177.A N ALA 174.A O no hydrogen 3.225 N/A LEU 178.A N PRO 175.A O no hydrogen 3.004 N/A LYS 179.A N GLU 176.A O no hydrogen 3.092 N/A ARG 180.A N GLU 176.A O no hydrogen 2.773 N/A PHE 183.A N LEU 163.A O no hydrogen 2.978 N/A HIS 184.A ND1 GLU 160.A OE2 no hydrogen 2.763 N/A VAL 188.A N ALA 185.A O no hydrogen 3.148 N/A VAL 190.A N GLU 186.A O no hydrogen 3.112 N/A TRP 191.A N PRO 187.A O no hydrogen 2.995 N/A SER 192.A N VAL 188.A O no hydrogen 3.150 N/A SER 192.A OG VAL 188.A O no hydrogen 3.476 N/A SER 192.A OG ASP 189.A O no hydrogen 2.907 N/A CYS 193.A N ASP 189.A O no hydrogen 3.048 N/A CYS 193.A SG ASP 189.A O no hydrogen 3.229 N/A GLY 194.A N VAL 190.A O no hydrogen 3.123 N/A ILE 195.A N TRP 191.A O no hydrogen 3.077 N/A VAL 196.A N SER 192.A O no hydrogen 2.925 N/A LEU 197.A N CYS 193.A O no hydrogen 2.892 N/A THR 198.A N GLY 194.A O no hydrogen 3.000 N/A THR 198.A OG1 GLY 194.A O no hydrogen 2.819 N/A ALA 199.A N ILE 195.A O no hydrogen 2.950 N/A MET 200.A N VAL 196.A O no hydrogen 2.826 N/A LEU 201.A N LEU 197.A O no hydrogen 3.046 N/A ALA 202.A N THR 198.A O no hydrogen 2.941 N/A GLY 203.A N ALA 199.A O no hydrogen 2.824 N/A SER 211.A N GLN 209.A O no hydrogen 3.010 N/A SER 211.A OG GLN 209.A OE1 no hydrogen 2.724 N/A CYS 214.A N SER 211.A O no hydrogen 3.046 N/A CYS 214.A SG GLU 216.A OE1 no hydrogen 3.708 N/A GLN 215.A NE2 ASP 219.A OD2 no hydrogen 2.986 N/A TYR 217.A OH GLU 247.A OE2 no hydrogen 3.087 N/A SER 218.A N CYS 214.A O no hydrogen 3.027 N/A SER 218.A OG CYS 214.A O no hydrogen 3.349 N/A ASP 219.A N GLN 215.A O no hydrogen 2.830 N/A TRP 220.A N GLU 216.A O no hydrogen 3.354 N/A TRP 220.A NE1 LEU 245.A O no hydrogen 2.994 N/A LYS 221.A N TYR 217.A O no hydrogen 3.010 N/A LYS 221.A NZ ASP 212.A OD1 no hydrogen 2.792 N/A LYS 221.A NZ ASP 212.A OD2 no hydrogen 3.463 N/A LYS 221.A NZ GLU 247.A OE1 no hydrogen 2.802 N/A LYS 221.A NZ GLU 247.A OE2 no hydrogen 3.520 N/A GLU 222.A N SER 218.A O no hydrogen 2.914 N/A LYS 223.A N TRP 220.A O no hydrogen 2.886 N/A LYS 223.A NZ LYS 221.A O no hydrogen 3.166 N/A LYS 224.A N ASP 219.A O no hydrogen 2.948 N/A THR 225.A N LYS 223.A O no hydrogen 2.906 N/A LEU 227.A N LYS 224.A O no hydrogen 3.390 N/A LYS 231.A N LEU 227.A O no hydrogen 2.941 N/A LYS 231.A NZ ASN 228.A OD1 no hydrogen 3.116 N/A LYS 232.A N PRO 229.A O no hydrogen 3.106 N/A LYS 232.A NZ ASP 98.A O no hydrogen 2.984 N/A LYS 232.A NZ ALA 202.A O no hydrogen 2.825 N/A LYS 232.A NZ GLU 204.A OE1 no hydrogen 2.816 N/A ILE 233.A N TRP 230.A O no hydrogen 2.888 N/A ALA 236.A N ASP 234.A OD2 no hydrogen 3.023 N/A LEU 238.A N ASP 234.A O no hydrogen 3.046 N/A ALA 239.A N SER 235.A O no hydrogen 3.006 N/A ALA 239.A N ALA 236.A O no hydrogen 3.183 N/A LEU 241.A N PRO 237.A O no hydrogen 2.993 N/A HIS 242.A N LEU 238.A O no hydrogen 2.783 N/A LYS 243.A N LEU 240.A O no hydrogen 2.976 N/A LYS 243.A NZ ASP 261.A OD2 no hydrogen 2.734 N/A ILE 244.A N LEU 240.A O no hydrogen 2.981 N/A LEU 245.A N LEU 241.A O no hydrogen 2.820 N/A SER 250.A N.A ASN 248.A OD1 no hydrogen 3.040 N/A SER 250.A N.B ASN 248.A OD1 no hydrogen 3.025 N/A SER 250.A OG.A ASN 248.A OD1 no hydrogen 2.817 N/A ALA 251.A N ASN 248.A O no hydrogen 3.089 N/A ARG 252.A NE VAL 246.A O no hydrogen 2.968 N/A ARG 252.A NH1 GLU 176.A OE2 no hydrogen 2.755 N/A ARG 252.A NH1 VAL 246.A O no hydrogen 2.958 N/A ARG 252.A NH2 GLU 176.A OE1 no hydrogen 2.760 N/A ARG 252.A NH2 GLU 176.A OE2 no hydrogen 3.463 N/A ARG 252.A NH2 PRO 187.A O no hydrogen 2.854 N/A ILE 253.A N LYS 243.A O no hydrogen 3.232 N/A ASP 257.A N THR 254.A O no hydrogen 3.048 N/A ILE 258.A N THR 254.A O no hydrogen 2.958 N/A LYS 259.A N ILE 255.A O no hydrogen 3.068 N/A LYS 260.A N ASP 257.A O no hydrogen 3.065 N/A LYS 260.A NZ ASP 257.A OD2 no hydrogen 3.487 N/A ASP 261.A N ILE 258.A O no hydrogen 2.999 N/A TRP 263.A NE1 GLU 103.A OE1 no hydrogen 2.863 N/A TYR 264.A N ASP 261.A OD1 no hydrogen 2.872 N/A ASN 265.A N ASP 261.A O no hydrogen 3.057 N/A ASN 265.A ND2 LYS 259.A O no hydrogen 3.013 N/A ASN 265.A ND2 ASP 261.A O no hydrogen 3.245 N/A LYS 266.A N TRP 263.A O no hydrogen 3.013 N/A