Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cek_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N TYR 11.A O no hydrogen 2.920 N/A VAL 6.A N ARG 9.A O no hydrogen 2.803 N/A LYS 7.A N GLU 78.A OE1 no hydrogen 2.808 N/A ARG 9.A N VAL 6.A O no hydrogen 3.210 N/A TYR 11.A N MET 4.A O no hydrogen 2.786 N/A SER 12.A N LEU 29.A O no hydrogen 2.774 N/A ILE 13.A N GLN 2.A O no hydrogen 3.005 N/A LEU 14.A N GLN 27.A O no hydrogen 2.749 N/A LYS 15.A N GLN 27.A O no hydrogen 3.280 N/A GLN 16.A NE2 GLY 18.A O no hydrogen 3.013 N/A ILE 17.A N VAL 25.A O no hydrogen 2.811 N/A GLY 18.A N VAL 25.A O no hydrogen 3.180 N/A LYS 24.A N TYR 40.A O no hydrogen 2.924 N/A VAL 25.A N GLY 18.A O no hydrogen 3.108 N/A PHE 26.A N ILE 38.A O no hydrogen 2.767 N/A GLN 27.A N LYS 15.A O no hydrogen 2.693 N/A VAL 28.A N TYR 36.A O no hydrogen 2.907 N/A LEU 29.A N SER 12.A O no hydrogen 2.787 N/A ASN 30.A N GLN 34.A O no hydrogen 3.015 N/A ASN 30.A ND2 GLN 34.A OE1 no hydrogen 2.965 N/A LYS 32.A N ASN 30.A OD1 no hydrogen 3.081 N/A LYS 33.A N ASN 30.A O no hydrogen 2.989 N/A GLN 34.A N ASN 30.A OD1 no hydrogen 2.865 N/A TYR 36.A N VAL 28.A O no hydrogen 2.979 N/A ALA 37.A N MET 88.A O no hydrogen 2.927 N/A ILE 38.A N PHE 26.A O no hydrogen 2.796 N/A LYS 39.A N MET 86.A O no hydrogen 2.999 N/A TYR 40.A N LYS 24.A O no hydrogen 2.748 N/A VAL 41.A N ILE 84.A O no hydrogen 2.895 N/A ASN 42.A N SER 22.A O no hydrogen 3.075 N/A LEU 43.A N GLN 82.A O no hydrogen 2.826 N/A GLU 44.A N ASN 42.A OD1 no hydrogen 3.087 N/A THR 50.A OG1 ASP 47.A OD1 no hydrogen 2.543 N/A LEU 51.A N ASP 47.A O no hydrogen 2.944 N/A ASP 52.A N ASN 48.A O no hydrogen 3.011 N/A SER 53.A N GLN 49.A O no hydrogen 3.066 N/A SER 53.A OG THR 50.A O no hydrogen 2.747 N/A TYR 54.A N THR 50.A O no hydrogen 2.953 N/A ARG 55.A N LEU 51.A O no hydrogen 2.963 N/A ASN 56.A N ASP 52.A O no hydrogen 2.929 N/A GLU 57.A N SER 53.A O no hydrogen 3.095 N/A ILE 58.A N TYR 54.A O no hydrogen 3.087 N/A ALA 59.A N ARG 55.A O no hydrogen 3.074 N/A TYR 60.A N ASN 56.A O no hydrogen 3.150 N/A LEU 61.A N GLU 57.A O no hydrogen 2.964 N/A ASN 62.A N ILE 58.A O no hydrogen 2.858 N/A LYS 63.A N ALA 59.A O no hydrogen 3.009 N/A LEU 64.A N TYR 60.A O no hydrogen 2.635 N/A GLN 65.A N LEU 61.A O no hydrogen 3.100 N/A GLN 65.A NE2 LEU 61.A O no hydrogen 2.953 N/A GLN 65.A NE2 ILE 72.A O no hydrogen 2.972 N/A GLN 66.A NE2 ASN 62.A O no hydrogen 3.088 N/A HIS 67.A N LEU 64.A O no hydrogen 3.065 N/A HIS 67.A ND1 LYS 63.A O no hydrogen 3.244 N/A SER 68.A OG GLU 119.A OE2 no hydrogen 3.011 N/A LYS 70.A N SER 68.A OG no hydrogen 3.036 N/A LYS 70.A NZ ASP 69.A OD1 no hydrogen 3.001 N/A LYS 70.A NZ GLU 119.A OE1 no hydrogen 3.075 N/A ILE 72.A N LEU 148.A O no hydrogen 3.163 N/A ARG 73.A N GLU 89.A OE2 no hydrogen 2.951 N/A ARG 73.A NE ILE 71.A O no hydrogen 3.417 N/A ARG 73.A NH1 GLN 65.A O no hydrogen 3.009 N/A ARG 73.A NH2 GLN 65.A O no hydrogen 3.186 N/A ARG 73.A NH2 SER 68.A O no hydrogen 2.712 N/A ARG 73.A NH2 ILE 71.A O no hydrogen 2.668 N/A LEU 74.A N GLN 65.A OE1 no hydrogen 2.959 N/A TYR 75.A N VAL 87.A O no hydrogen 2.676 N/A ASP 76.A N VAL 87.A O no hydrogen 3.330 N/A TYR 77.A N ASP 76.A OD1 no hydrogen 2.909 N/A GLU 78.A N TYR 85.A O no hydrogen 2.842 N/A THR 80.A N TYR 83.A O no hydrogen 2.944 N/A THR 80.A OG1 GLN 82.A OE1 no hydrogen 3.061 N/A GLN 82.A N THR 80.A OG1 no hydrogen 3.036 N/A TYR 83.A N THR 80.A OG1 no hydrogen 3.265 N/A TYR 83.A OH GLU 78.A OE2 no hydrogen 2.640 N/A ILE 84.A N VAL 41.A O no hydrogen 2.891 N/A TYR 85.A N GLU 78.A O no hydrogen 2.832 N/A MET 86.A N LYS 39.A O no hydrogen 2.932 N/A VAL 87.A N ASP 76.A O no hydrogen 2.734 N/A MET 88.A N ALA 37.A O no hydrogen 2.771 N/A GLU 89.A N ARG 73.A O no hydrogen 3.026 N/A CYS 90.A SG TYR 36.A O no hydrogen 3.995 N/A ASN 92.A N ILE 141.A O no hydrogen 2.922 N/A LEU 95.A N PHE 139.A O no hydrogen 2.922 N/A SER 97.A OG ASP 94.A OD1 no hydrogen 2.542 N/A TRP 98.A N ASP 94.A O no hydrogen 3.086 N/A LEU 99.A N LEU 95.A O no hydrogen 2.878 N/A LYS 100.A N ASN 96.A O no hydrogen 3.183 N/A LYS 101.A N SER 97.A O no hydrogen 3.109 N/A LYS 102.A N TRP 98.A O no hydrogen 2.868 N/A ARG 110.A N ASP 106.A O no hydrogen 2.848 N/A ARG 110.A NH1 MET 189.A O no hydrogen 2.750 N/A ARG 110.A NH2 GLU 223.A OE1 no hydrogen 2.865 N/A LYS 111.A N PRO 107.A O no hydrogen 3.006 N/A LYS 111.A NZ TYR 252.A O no hydrogen 3.274 N/A LYS 111.A NZ ILE 255.A O no hydrogen 3.204 N/A SER 112.A N TRP 108.A O no hydrogen 2.931 N/A TYR 113.A N GLU 109.A O no hydrogen 2.877 N/A TRP 114.A N ARG 110.A O no hydrogen 2.965 N/A LYS 115.A N LYS 111.A O no hydrogen 3.068 N/A ASN 116.A N SER 112.A O no hydrogen 3.134 N/A MET 117.A N TYR 113.A O no hydrogen 2.828 N/A LEU 118.A N TRP 114.A O no hydrogen 2.989 N/A GLU 119.A N LYS 115.A O no hydrogen 2.928 N/A ALA 120.A N ASN 116.A O no hydrogen 3.080 N/A VAL 121.A N MET 117.A O no hydrogen 3.013 N/A HIS 122.A N LEU 118.A O no hydrogen 2.972 N/A THR 123.A N GLU 119.A O no hydrogen 3.173 N/A THR 123.A OG1 GLU 119.A O no hydrogen 2.821 N/A ILE 124.A N ALA 120.A O no hydrogen 3.257 N/A HIS 125.A N VAL 121.A O no hydrogen 2.956 N/A HIS 125.A NE2 ASP 178.A OD2 no hydrogen 2.659 N/A GLN 126.A N HIS 122.A O no hydrogen 2.987 N/A HIS 127.A N ILE 124.A O no hydrogen 3.142 N/A HIS 127.A ND1 THR 123.A O no hydrogen 3.126 N/A GLY 128.A N HIS 125.A O no hydrogen 2.987 N/A ILE 129.A N ILE 124.A O no hydrogen 2.984 N/A HIS 131.A N ASP 178.A OD2 no hydrogen 2.968 N/A SER 132.A N ASP 178.A OD1 no hydrogen 2.936 N/A SER 132.A OG HIS 131.A O no hydrogen 2.476 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.116 N/A LYS 135.A N ASN 138.A OD1 no hydrogen 2.864 N/A LYS 135.A NZ ASP 133.A O no hydrogen 2.896 N/A LYS 135.A NZ ASP 133.A OD2 no hydrogen 3.061 N/A LYS 135.A NZ ASN 138.A OD1 no hydrogen 3.211 N/A ASN 138.A N LYS 135.A O no hydrogen 3.040 N/A PHE 139.A N PRO 136.A O no hydrogen 2.944 N/A LEU 140.A N LYS 147.A O no hydrogen 2.893 N/A ILE 141.A N ILE 93.A O no hydrogen 2.777 N/A VAL 142.A N MET 145.A O no hydrogen 2.761 N/A MET 145.A N VAL 142.A O no hydrogen 3.100 N/A LEU 146.A N ASN 116.A OD1 no hydrogen 2.799 N/A LYS 147.A N LEU 140.A O no hydrogen 2.822 N/A LYS 147.A NZ ASP 69.A O no hydrogen 3.018 N/A LYS 147.A NZ GLU 89.A OE1 no hydrogen 2.945 N/A LYS 147.A NZ GLU 89.A OE2 no hydrogen 2.909 N/A LEU 148.A N LYS 70.A O no hydrogen 2.791 N/A ILE 149.A N ASN 138.A O no hydrogen 2.918 N/A PHE 151.A N GLU 57.A OE2 no hydrogen 2.638 N/A ILE 153.A N GLU 57.A OE1 no hydrogen 3.185 N/A ALA 154.A N GLU 57.A OE1 no hydrogen 2.809 N/A MET 162.A N VAL 159.A O no hydrogen 3.314 N/A GLU 165.A N GLU 165.A OE2 no hydrogen 2.842 N/A ALA 166.A N PRO 163.A O no hydrogen 3.006 N/A ILE 167.A N PRO 163.A O no hydrogen 3.418 N/A LYS 168.A N PRO 164.A O no hydrogen 2.863 N/A LYS 168.A NZ ILE 210.A O no hydrogen 3.384 N/A LYS 172.A N ASP 169.A OD2 no hydrogen 3.417 N/A SER 174.A N SER 177.A OG no hydrogen 3.272 N/A LYS 176.A N SER 174.A OG no hydrogen 3.088 N/A LYS 176.A NZ PRO 238.A O no hydrogen 2.605 N/A LYS 176.A NZ ARG 241.A O no hydrogen 2.602 N/A SER 177.A N SER 174.A O no hydrogen 2.839 N/A SER 177.A OG GLU 165.A OE1 no hydrogen 2.685 N/A SER 177.A OG SER 174.A O no hydrogen 3.277 N/A ASP 178.A N PRO 175.A O no hydrogen 3.132 N/A TRP 180.A N LYS 176.A O no hydrogen 3.265 N/A SER 181.A N SER 177.A O no hydrogen 3.263 N/A SER 181.A OG TYR 161.A O no hydrogen 2.802 N/A SER 181.A OG SER 177.A O no hydrogen 3.399 N/A LEU 182.A N ASP 178.A O no hydrogen 2.930 N/A GLY 183.A N VAL 179.A O no hydrogen 2.918 N/A CYS 184.A N TRP 180.A O no hydrogen 2.968 N/A CYS 184.A SG ASN 160.A O no hydrogen 3.594 N/A CYS 184.A SG TRP 180.A O no hydrogen 3.668 N/A ILE 185.A N SER 181.A O no hydrogen 3.063 N/A LEU 186.A N LEU 182.A O no hydrogen 2.886 N/A TYR 187.A N GLY 183.A O no hydrogen 2.880 N/A TYR 187.A OH GLU 217.A O no hydrogen 2.675 N/A TYR 188.A N CYS 184.A O no hydrogen 3.107 N/A MET 189.A N ILE 185.A O no hydrogen 3.158 N/A THR 190.A N TYR 187.A O no hydrogen 3.138 N/A THR 190.A OG1 LEU 186.A O no hydrogen 2.646 N/A TYR 191.A N TYR 187.A O no hydrogen 2.716 N/A TYR 191.A OH PRO 219.A O no hydrogen 2.655 N/A THR 194.A N GLN 197.A OE1 no hydrogen 3.094 N/A THR 194.A OG1 GLN 197.A OE1 no hydrogen 3.379 N/A GLN 197.A N THR 194.A O no hydrogen 3.203 N/A GLN 198.A NE2 PRO 195.A O no hydrogen 3.321 N/A ILE 199.A N PHE 196.A O no hydrogen 3.076 N/A SER 204.A N ASN 201.A OD1 no hydrogen 3.140 N/A LYS 205.A N ASN 201.A O no hydrogen 2.861 N/A LYS 205.A NZ ILE 199.A O no hydrogen 3.028 N/A LEU 206.A N GLN 202.A O no hydrogen 3.035 N/A HIS 207.A N ILE 203.A O no hydrogen 3.279 N/A ALA 208.A N SER 204.A O no hydrogen 2.854 N/A ILE 209.A N LYS 205.A O no hydrogen 2.994 N/A ILE 210.A N LEU 206.A O no hydrogen 3.295 N/A ASP 211.A N ALA 208.A O no hydrogen 3.043 N/A ASN 213.A N ASP 211.A OD2 no hydrogen 3.094 N/A HIS 214.A N ASP 211.A O no hydrogen 2.987 N/A GLN 227.A N GLU 223.A O no hydrogen 3.253 N/A GLN 227.A NE2 PHE 218.A O no hydrogen 3.030 N/A ASP 228.A N LYS 224.A O no hydrogen 3.100 N/A VAL 229.A N ASP 225.A O no hydrogen 3.105 N/A LEU 230.A N LEU 226.A O no hydrogen 3.094 N/A LYS 231.A N GLN 227.A O no hydrogen 3.030 N/A CYS 232.A N ASP 228.A O no hydrogen 2.987 N/A CYS 232.A SG ASP 228.A O no hydrogen 3.196 N/A CYS 232.A SG ASP 228.A OD1 no hydrogen 3.778 N/A CYS 233.A N VAL 229.A O no hydrogen 2.989 N/A CYS 233.A SG VAL 229.A O no hydrogen 3.324 N/A LEU 234.A N LEU 230.A O no hydrogen 2.957 N/A ARG 236.A NE ILE 209.A O no hydrogen 2.755 N/A ARG 236.A NH1 HIS 214.A O no hydrogen 2.763 N/A ARG 236.A NH2 ALA 208.A O no hydrogen 3.048 N/A ARG 236.A NH2 HIS 214.A O no hydrogen 2.840 N/A LYS 239.A N ASP 237.A OD1 no hydrogen 3.426 N/A GLN 240.A N ASP 237.A O no hydrogen 3.024 N/A ARG 241.A N PRO 238.A O no hydrogen 3.294 N/A ARG 241.A NE LYS 235.A O no hydrogen 2.711 N/A ARG 241.A NH1 GLU 165.A OE1 no hydrogen 2.799 N/A ARG 241.A NH1 GLU 165.A OE2 no hydrogen 3.247 N/A ARG 241.A NH1 LYS 176.A O no hydrogen 2.886 N/A ARG 241.A NH2 GLU 165.A OE2 no hydrogen 2.958 N/A ARG 241.A NH2 LYS 235.A O no hydrogen 2.858 N/A ILE 242.A N CYS 232.A O no hydrogen 3.194 N/A SER 243.A N GLU 246.A OE1 no hydrogen 3.267 N/A SER 243.A OG GLU 246.A OE1 no hydrogen 3.310 N/A GLU 246.A N SER 243.A OG no hydrogen 3.334 N/A LEU 247.A N SER 243.A O no hydrogen 2.893 N/A LEU 248.A N ILE 244.A O no hydrogen 2.910 N/A HIS 250.A N LEU 247.A O no hydrogen 3.463 N/A HIS 250.A NE2 ASP 228.A OD1 no hydrogen 2.793 N/A TYR 252.A N HIS 250.A ND1 no hydrogen 3.091 N/A VAL 253.A N HIS 250.A O no hydrogen 3.116 N/A GLN 254.A N HIS 250.A O no hydrogen 2.968 N/A GLN 254.A NE2 LEU 248.A O no hydrogen 2.729 N/A ILE 255.A N PRO 251.A O no hydrogen 2.829 N/A