Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ekc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 5.A OG no hydrogen 2.528 N/A MET 1.A N GLU 172.A OE2 no hydrogen 3.123 N/A ARG 3.A NE PRO 93.A O no hydrogen 2.732 N/A ARG 3.A NH1 ASP 124.A OD1 no hydrogen 2.773 N/A ARG 3.A NH2 PRO 93.A O no hydrogen 3.375 N/A SER 5.A N GLU 172.A OE2 no hydrogen 2.889 N/A SER 5.A OG GLU 172.A OE2 no hydrogen 3.011 N/A ASP 6.A N GLY 2.A O no hydrogen 3.011 N/A LYS 7.A N ARG 3.A O no hydrogen 2.894 N/A LYS 7.A NZ GLU 10.A OE1 no hydrogen 2.727 N/A PHE 8.A N ILE 4.A O no hydrogen 3.090 N/A THR 9.A N SER 5.A O no hydrogen 3.014 N/A THR 9.A OG1 SER 5.A O no hydrogen 3.036 N/A GLU 10.A N ASP 6.A O no hydrogen 2.896 N/A LEU 11.A N LYS 7.A O no hydrogen 2.802 N/A LYS 12.A N PHE 8.A O no hydrogen 2.980 N/A GLU 13.A N THR 9.A O no hydrogen 3.202 N/A LYS 14.A N GLU 10.A O no hydrogen 3.059 N/A ARG 15.A N LYS 12.A O no hydrogen 3.050 N/A GLU 16.A N LEU 11.A O no hydrogen 2.876 N/A LYS 17.A N LEU 251.A O no hydrogen 2.885 N/A ALA 18.A N ASP 220.A O no hydrogen 2.886 N/A LEU 19.A N ASP 46.A OD2 no hydrogen 2.905 N/A VAL 20.A N VAL 222.A O no hydrogen 2.821 N/A SER 21.A N ILE 47.A O no hydrogen 3.033 N/A SER 21.A OG THR 45.A OG1 no hydrogen 2.677 N/A TYR 22.A N VAL 224.A O no hydrogen 2.888 N/A LEU 23.A N GLU 49.A O no hydrogen 3.338 N/A VAL 25.A N GLY 51.A O no hydrogen 3.208 N/A GLY 26.A N SER 33.A OG no hydrogen 3.101 N/A TYR 27.A N MET 24.A O no hydrogen 3.394 N/A THR 32.A N ASP 29.A OD1 no hydrogen 2.672 N/A THR 32.A OG1 ASP 29.A OD1 no hydrogen 2.907 N/A THR 32.A OG1 ASP 29.A OD2 no hydrogen 2.684 N/A SER 33.A N ASP 29.A O no hydrogen 2.942 N/A SER 33.A OG ASP 29.A O no hydrogen 3.469 N/A SER 33.A OG TYR 30.A O no hydrogen 2.714 N/A LEU 34.A N TYR 30.A O no hydrogen 2.923 N/A LYS 35.A N GLU 31.A O no hydrogen 3.115 N/A ALA 36.A N THR 32.A O no hydrogen 2.963 N/A PHE 37.A N SER 33.A O no hydrogen 2.894 N/A LYS 38.A N LEU 34.A O no hydrogen 3.039 N/A GLU 39.A N LYS 35.A O no hydrogen 2.918 N/A VAL 40.A N ALA 36.A O no hydrogen 3.014 N/A LEU 41.A N PHE 37.A O no hydrogen 3.165 N/A LYS 42.A N LYS 38.A O no hydrogen 2.938 N/A ASN 43.A N GLU 39.A O no hydrogen 3.088 N/A ASN 43.A ND2 GLU 39.A O no hydrogen 2.972 N/A GLY 44.A N LEU 41.A O no hydrogen 3.503 N/A THR 45.A N VAL 40.A O no hydrogen 3.116 N/A THR 45.A OG1 SER 21.A OG no hydrogen 2.677 N/A THR 45.A OG1 VAL 40.A O no hydrogen 2.707 N/A ASP 46.A N LEU 19.A O no hydrogen 2.912 N/A ILE 47.A N LEU 19.A O no hydrogen 3.230 N/A LEU 48.A N PRO 96.A O no hydrogen 2.966 N/A GLU 49.A N SER 21.A O no hydrogen 2.805 N/A ILE 50.A N LEU 98.A O no hydrogen 2.790 N/A GLY 51.A N LEU 23.A O no hydrogen 2.890 N/A PHE 52.A N MET 100.A O no hydrogen 3.090 N/A PHE 54.A N HIS 68.A ND1 no hydrogen 2.837 N/A VAL 58.A N ASP 56.A O no hydrogen 2.848 N/A ALA 59.A N TYR 102.A OH no hydrogen 3.080 N/A ASP 60.A N PRO 57.A O no hydrogen 3.145 N/A GLN 65.A N GLY 61.A O no hydrogen 2.952 N/A GLN 65.A NE2 PRO 57.A O no hydrogen 2.887 N/A VAL 66.A N PRO 62.A O no hydrogen 3.115 N/A ALA 67.A N THR 63.A O no hydrogen 3.301 N/A HIS 68.A N ILE 64.A O no hydrogen 2.975 N/A HIS 68.A NE2 ASP 60.A OD2 no hydrogen 2.901 N/A GLU 69.A N GLN 65.A O no hydrogen 3.112 N/A VAL 70.A N VAL 66.A O no hydrogen 2.928 N/A ALA 71.A N ALA 67.A O no hydrogen 2.980 N/A LEU 72.A N HIS 68.A O no hydrogen 2.954 N/A LYS 73.A N GLU 69.A O no hydrogen 2.958 N/A ASN 74.A N VAL 70.A O no hydrogen 2.902 N/A ASN 74.A N ALA 71.A O no hydrogen 3.086 N/A ASN 74.A ND2 GLY 26.A O no hydrogen 2.859 N/A ASN 74.A ND2 PRO 28.A O no hydrogen 2.918 N/A GLY 75.A N LEU 72.A O no hydrogen 2.939 N/A ILE 76.A N ALA 71.A O no hydrogen 3.131 N/A ARG 77.A N ASP 80.A OD2 no hydrogen 2.735 N/A ARG 77.A NE ASP 80.A OD2 no hydrogen 2.977 N/A ARG 77.A NH2 ASP 80.A OD1 no hydrogen 3.068 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.713 N/A ASP 80.A N ARG 77.A O no hydrogen 2.952 N/A VAL 81.A N ARG 77.A O no hydrogen 3.091 N/A LEU 82.A N PHE 78.A O no hydrogen 3.051 N/A GLU 83.A N GLU 79.A O no hydrogen 3.087 N/A LEU 84.A N ASP 80.A O no hydrogen 3.097 N/A SER 85.A N VAL 81.A O no hydrogen 3.114 N/A SER 85.A OG LYS 121.A O no hydrogen 2.724 N/A GLU 86.A N LEU 82.A O no hydrogen 2.866 N/A THR 87.A N GLU 83.A O no hydrogen 2.915 N/A THR 87.A OG1 GLU 83.A O no hydrogen 2.899 N/A LEU 88.A N LEU 84.A O no hydrogen 2.960 N/A ARG 89.A N SER 85.A O no hydrogen 2.802 N/A ARG 89.A NH1 PHE 92.A O no hydrogen 2.731 N/A ARG 89.A NH1 ILE 95.A O no hydrogen 2.860 N/A ARG 89.A NH2 ILE 95.A O no hydrogen 3.036 N/A ARG 89.A NH2 GLY 122.A O no hydrogen 2.985 N/A LYS 90.A N GLU 86.A O no hydrogen 3.342 N/A GLU 91.A N LEU 88.A O no hydrogen 3.029 N/A PHE 92.A N LEU 88.A O no hydrogen 2.878 N/A PHE 97.A N ASP 124.A OD2 no hydrogen 2.717 N/A LEU 98.A N LEU 48.A O no hydrogen 2.732 N/A LEU 99.A N GLY 125.A O no hydrogen 2.913 N/A MET 100.A N ILE 50.A O no hydrogen 2.826 N/A THR 101.A N ILE 127.A O no hydrogen 3.268 N/A THR 101.A OG1 TYR 102.A O no hydrogen 2.863 N/A TYR 102.A OH ASP 60.A OD2 no hydrogen 2.704 N/A TYR 103.A N ASP 130.A OD1 no hydrogen 2.881 N/A ILE 106.A N TYR 103.A O no hydrogen 2.878 N/A PHE 107.A N TYR 103.A O no hydrogen 3.295 N/A ARG 108.A N ASN 104.A O no hydrogen 2.821 N/A ILE 109.A N PRO 105.A O no hydrogen 2.948 N/A GLY 110.A N ILE 106.A O no hydrogen 2.788 N/A PHE 114.A N GLY 110.A O no hydrogen 2.725 N/A CYS 115.A N LEU 111.A O no hydrogen 2.968 N/A CYS 115.A SG LEU 111.A O no hydrogen 3.518 N/A ARG 116.A N GLU 112.A O no hydrogen 2.816 N/A ARG 116.A NH1.B GLU 120.A OE2 no hydrogen 3.214 N/A LEU 117.A N LYS 113.A O no hydrogen 2.862 N/A SER 118.A N PHE 114.A O no hydrogen 3.027 N/A SER 118.A OG PHE 114.A O no hydrogen 2.938 N/A ARG 119.A N CYS 115.A O no hydrogen 3.010 N/A ARG 119.A NH1 ILE 123.A O no hydrogen 3.463 N/A GLU 120.A N ARG 116.A O no hydrogen 3.111 N/A LYS 121.A N LEU 117.A O no hydrogen 3.119 N/A LYS 121.A N SER 118.A O no hydrogen 3.253 N/A LYS 121.A NZ GLU 86.A OE1 no hydrogen 2.801 N/A GLY 122.A N ARG 119.A O no hydrogen 3.390 N/A ILE 123.A N SER 118.A O no hydrogen 3.023 N/A ASP 124.A N PHE 97.A O no hydrogen 2.808 N/A GLY 125.A N PHE 97.A O no hydrogen 3.343 N/A PHE 126.A N SER 149.A O no hydrogen 3.171 N/A ILE 127.A N LEU 99.A O no hydrogen 3.022 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.733 N/A GLU 135.A N PRO 132.A O no hydrogen 2.791 N/A ALA 136.A N PRO 133.A O no hydrogen 3.418 N/A LEU 139.A N GLU 135.A O no hydrogen 3.167 N/A LYS 140.A N ALA 136.A O no hydrogen 2.845 N/A ALA 141.A N GLU 137.A O no hydrogen 3.044 N/A VAL 142.A N GLU 138.A O no hydrogen 3.168 N/A MET 143.A N LEU 139.A O no hydrogen 2.874 N/A LYS 144.A N LYS 140.A O no hydrogen 2.875 N/A LYS 145.A N ALA 141.A O no hydrogen 3.179 N/A LYS 145.A NZ GLU 112.A OE1 no hydrogen 2.964 N/A TYR 146.A N VAL 142.A O no hydrogen 3.098 N/A TYR 146.A OH GLU 112.A OE1 no hydrogen 2.592 N/A VAL 147.A N LYS 144.A O no hydrogen 3.163 N/A LEU 148.A N MET 143.A O no hydrogen 2.889 N/A SER 149.A N ASP 124.A O no hydrogen 2.877 N/A SER 149.A OG GLU 172.A OE1 no hydrogen 2.933 N/A PHE 150.A N ASP 171.A OD2 no hydrogen 2.698 N/A GLY 154.A N TYR 175.A O no hydrogen 2.713 N/A ALA 155.A N SER 158.A OG no hydrogen 2.835 N/A SER 158.A N ALA 155.A O no hydrogen 3.039 N/A SER 158.A OG ALA 155.A O no hydrogen 3.224 N/A ARG 160.A NH1 GLU 191.A OE2 no hydrogen 2.918 N/A ARG 162.A N THR 159.A OG1 no hydrogen 2.987 N/A ILE 163.A N THR 159.A O no hydrogen 2.908 N/A LYS 164.A N ARG 160.A O no hydrogen 3.189 N/A LEU 165.A N LYS 161.A O no hydrogen 3.192 N/A ILE 166.A N ARG 162.A O no hydrogen 2.835 N/A CYS 167.A N ILE 163.A O no hydrogen 2.991 N/A CYS 167.A SG LEU 195.A O no hydrogen 3.939 N/A GLU 168.A N LYS 164.A O no hydrogen 3.197 N/A ALA 169.A N LEU 165.A O no hydrogen 3.059 N/A ALA 169.A N ILE 166.A O no hydrogen 3.072 N/A ALA 170.A N ILE 166.A O no hydrogen 2.938 N/A ALA 170.A N CYS 167.A O no hydrogen 3.307 N/A ASP 171.A N PHE 150.A O no hydrogen 3.337 N/A THR 174.A N PRO 199.A O no hydrogen 3.030 N/A THR 174.A OG1 TYR 192.A OH no hydrogen 2.937 N/A THR 174.A OG1 PRO 199.A O no hydrogen 3.436 N/A TYR 175.A N PRO 152.A O no hydrogen 3.129 N/A PHE 176.A N VAL 201.A O no hydrogen 3.007 N/A VAL 177.A N GLY 154.A O no hydrogen 3.184 N/A SER 178.A N GLY 203.A O no hydrogen 3.021 N/A SER 178.A OG GLY 203.A O no hydrogen 3.173 N/A SER 178.A OG PHE 204.A O no hydrogen 2.814 N/A LYS 186.A N TYR 182.A O no hydrogen 3.095 N/A LYS 186.A NZ GLU 190.A OE2 no hydrogen 2.924 N/A LYS 187.A N GLU 183.A O no hydrogen 3.062 N/A LYS 188.A N ARG 184.A O no hydrogen 3.166 N/A LYS 188.A NZ SER 158.A O no hydrogen 2.654 N/A LYS 188.A NZ GLU 191.A OE1 no hydrogen 2.873 N/A VAL 189.A N ILE 185.A O no hydrogen 2.891 N/A GLU 190.A N LYS 186.A O no hydrogen 3.063 N/A GLU 191.A N LYS 187.A O no hydrogen 3.168 N/A TYR 192.A N LYS 188.A O no hydrogen 2.915 N/A TYR 192.A OH LYS 198.A O no hydrogen 2.618 N/A ARG 193.A N VAL 189.A O no hydrogen 2.716 N/A ARG 193.A NH1 ASP 220.A OD2 no hydrogen 2.915 N/A ARG 193.A NH2 PHE 218.A O no hydrogen 3.083 N/A ARG 193.A NH2 ASP 220.A OD1 no hydrogen 3.193 N/A ARG 193.A NH2 ASP 220.A OD2 no hydrogen 3.156 N/A GLU 194.A N GLU 190.A O no hydrogen 3.233 N/A LEU 195.A N GLU 191.A O no hydrogen 3.246 N/A LEU 195.A N TYR 192.A O no hydrogen 2.935 N/A CYS 196.A N TYR 192.A O no hydrogen 2.604 N/A CYS 196.A SG TYR 192.A OH no hydrogen 3.455 N/A LYS 198.A NZ CYS 167.A O no hydrogen 2.693 N/A VAL 200.A N ASP 220.A OD2 no hydrogen 2.795 N/A VAL 201.A N THR 174.A O no hydrogen 2.992 N/A VAL 202.A N GLY 221.A O no hydrogen 2.993 N/A GLY 203.A N PHE 176.A O no hydrogen 3.145 N/A SER 207.A N HIS 211.A ND1 no hydrogen 3.091 N/A LYS 209.A NZ GLU 249.A OE1 no hydrogen 3.459 N/A HIS 211.A N LYS 208.A O no hydrogen 2.805 N/A ALA 212.A N LYS 208.A O no hydrogen 3.200 N/A ARG 213.A N LYS 209.A O no hydrogen 2.957 N/A ARG 213.A NH1.A ARG 252.A O no hydrogen 2.885 N/A ARG 213.A NH2.A ARG 252.A O no hydrogen 3.133 N/A GLU 214.A N GLU 210.A O no hydrogen 2.952 N/A ILE 215.A N HIS 211.A O no hydrogen 2.894 N/A GLY 216.A N ALA 212.A O no hydrogen 2.681 N/A SER 217.A N GLU 214.A O no hydrogen 3.232 N/A SER 217.A OG GLU 214.A O no hydrogen 2.521 N/A PHE 218.A N ILE 215.A O no hydrogen 3.039 N/A ALA 219.A N ILE 215.A O no hydrogen 2.912 N/A ASP 220.A N VAL 200.A O no hydrogen 2.887 N/A VAL 222.A N ALA 18.A O no hydrogen 2.935 N/A VAL 223.A N VAL 202.A O no hydrogen 2.995 N/A VAL 224.A N VAL 20.A O no hydrogen 2.874 N/A VAL 229.A N GLY 225.A O no hydrogen 2.928 N/A LYS 230.A N SER 226.A O no hydrogen 2.977 N/A ALA 232.A N LEU 228.A O no hydrogen 3.047 N/A GLY 233.A N VAL 229.A O no hydrogen 2.889 N/A GLN 234.A N LEU 231.A O no hydrogen 3.184 N/A LYS 235.A N ALA 232.A O no hydrogen 2.892 N/A LYS 236.A N LEU 231.A O no hydrogen 2.996 N/A LEU 240.A N LYS 236.A O no hydrogen 3.035 N/A GLY 241.A N ILE 237.A O no hydrogen 3.036 N/A ASN 242.A N GLU 238.A O no hydrogen 3.065 N/A LEU 243.A N ASP 239.A O no hydrogen 2.960 N/A VAL 244.A N LEU 240.A O no hydrogen 3.055 N/A LYS 245.A N GLY 241.A O no hydrogen 3.015 N/A GLU 246.A N ASN 242.A O no hydrogen 3.006 N/A LEU 247.A N LEU 243.A O no hydrogen 2.903 N/A LYS 248.A N VAL 244.A O no hydrogen 3.023 N/A LYS 248.A NZ GLU 16.A OE1 no hydrogen 2.871 N/A LYS 248.A NZ LYS 17.A O no hydrogen 2.686 N/A LYS 248.A NZ ASP 46.A OD2 no hydrogen 2.627 N/A GLU 249.A N LYS 245.A O no hydrogen 3.167 N/A GLU 249.A N GLU 246.A O no hydrogen 2.988 N/A GLY 250.A N GLU 246.A O no hydrogen 3.405 N/A GLY 250.A N LEU 247.A O no hydrogen 3.018 N/A LEU 251.A N LYS 248.A O no hydrogen 3.087 N/A GLU 253.A N ARG 15.A O no hydrogen 3.107 N/A