Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6in4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 61.A OE1 no hydrogen 3.444 N/A THR 1.A N GLU 61.A OE2 no hydrogen 3.115 N/A PHE 3.A N GLU 83.A OE2 no hydrogen 2.965 N/A ARG 4.A N VAL 81.A O no hydrogen 3.167 N/A ARG 4.A NH1 GLU 80.A OE2 no hydrogen 2.909 N/A ARG 4.A NH2 GLU 6.A OE2 no hydrogen 2.510 N/A GLN 5.A NE2 GLU 83.A OE2 no hydrogen 3.149 N/A ASP 9.A N ASN 7.A OD1 no hydrogen 2.768 N/A ASP 10.A N ASN 7.A O no hydrogen 2.898 N/A TYR 11.A N VAL 8.A O no hydrogen 2.995 N/A TYR 11.A OH GLU 6.A OE1 no hydrogen 2.701 N/A TYR 12.A N VAL 8.A O no hydrogen 2.912 N/A TYR 12.A OH HIS 79.A ND1 no hydrogen 3.296 N/A TYR 12.A OH GLU 80.A OE1 no hydrogen 2.636 N/A ASP 13.A N ARG 30.A O no hydrogen 2.968 N/A GLY 15.A N LYS 28.A O no hydrogen 2.660 N/A LEU 18.A N VAL 26.A O no hydrogen 2.719 N/A GLY 19.A N VAL 26.A O no hydrogen 3.399 N/A GLY 21.A N ALA 24.A O no hydrogen 2.728 N/A VAL 25.A N PHE 42.A O no hydrogen 3.158 N/A VAL 26.A N GLY 19.A O no hydrogen 2.738 N/A LYS 27.A N ALA 40.A O no hydrogen 2.847 N/A LYS 27.A NZ GLU 17.A OE1 no hydrogen 2.911 N/A LYS 28.A N GLU 16.A O no hydrogen 2.755 N/A CYS 29.A N TYR 38.A O no hydrogen 2.875 N/A ARG 30.A N ASP 13.A O no hydrogen 2.858 N/A GLU 31.A N LEU 36.A O no hydrogen 2.857 N/A LYS 32.A N TYR 11.A O no hydrogen 2.895 N/A LYS 32.A NZ ASP 9.A O no hydrogen 2.751 N/A THR 34.A OG1 GLU 31.A OE1 no hydrogen 2.841 N/A GLY 35.A N GLU 31.A O no hydrogen 2.874 N/A LEU 36.A N THR 34.A OG1 no hydrogen 3.169 N/A TYR 38.A N CYS 29.A O no hydrogen 2.966 N/A ALA 39.A N LEU 92.A O no hydrogen 2.811 N/A ALA 40.A N LYS 27.A O no hydrogen 2.721 N/A LYS 41.A N LEU 90.A O no hydrogen 2.816 N/A LYS 41.A NZ GLU 63.A OE2 no hydrogen 2.904 N/A PHE 42.A N VAL 25.A O no hydrogen 2.847 N/A ILE 43.A N VAL 88.A O no hydrogen 2.744 N/A LYS 44.A N PHE 23.A O no hydrogen 2.841 N/A LYS 45.A N THR 86.A O no hydrogen 2.875 N/A LYS 45.A NZ GLU 83.A OE1 no hydrogen 2.800 N/A LYS 45.A NZ ASN 84.A O no hydrogen 2.548 N/A ARG 46.A N VAL 55.A O no hydrogen 3.281 N/A ARG 46.A NE GLY 54.A O no hydrogen 3.027 N/A SER 51.A N THR 48.A O no hydrogen 3.482 N/A SER 51.A OG ARG 53.A O no hydrogen 3.377 N/A ARG 53.A N SER 51.A OG no hydrogen 3.075 N/A VAL 55.A N LYS 44.A O no hydrogen 2.764 N/A ARG 57.A NE GLU 61.A OE2 no hydrogen 2.822 N/A ARG 57.A NH1 GLU 83.A OE1 no hydrogen 2.936 N/A ARG 57.A NH2 THR 1.A O no hydrogen 2.776 N/A ARG 57.A NH2 GLU 83.A OE1 no hydrogen 3.122 N/A ARG 57.A NH2 GLU 83.A OE2 no hydrogen 3.280 N/A ASP 59.A N SER 56.A OG no hydrogen 2.972 N/A ILE 60.A N SER 56.A O no hydrogen 2.965 N/A GLU 61.A N ARG 57.A O no hydrogen 2.805 N/A ARG 62.A N GLU 58.A O no hydrogen 3.039 N/A ARG 62.A NH1 ASP 59.A OD1 no hydrogen 2.797 N/A ARG 62.A NH2 GLU 58.A OE2 no hydrogen 3.358 N/A GLU 63.A N ASP 59.A O no hydrogen 3.111 N/A VAL 64.A N ILE 60.A O no hydrogen 2.953 N/A SER 65.A N GLU 61.A O no hydrogen 2.876 N/A ILE 66.A N ARG 62.A O no hydrogen 3.014 N/A LEU 67.A N GLU 63.A O no hydrogen 2.953 N/A LYS 68.A N VAL 64.A O no hydrogen 2.888 N/A GLU 69.A N ILE 66.A O no hydrogen 2.960 N/A ILE 70.A N LEU 67.A O no hydrogen 3.343 N/A GLN 71.A N TYR 120.A OH no hydrogen 2.830 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.883 N/A ASN 74.A ND2 GLN 113.A OE1 no hydrogen 3.310 N/A ASN 74.A ND2 ILE 145.A O no hydrogen 3.088 N/A VAL 75.A N HIS 72.A O no hydrogen 3.220 N/A ILE 76.A N ILE 147.A O no hydrogen 3.046 N/A THR 77.A N GLU 93.A OE1 no hydrogen 3.145 N/A THR 77.A OG1 GLU 93.A OE1 no hydrogen 3.147 N/A HIS 79.A N ILE 91.A O no hydrogen 2.710 N/A GLU 80.A N ILE 91.A O no hydrogen 3.265 N/A TYR 82.A N ILE 89.A O no hydrogen 2.915 N/A TYR 82.A OH GLU 80.A OE1 no hydrogen 2.973 N/A GLU 83.A N ARG 4.A O no hydrogen 2.819 N/A ASN 84.A N ASP 87.A O no hydrogen 2.939 N/A THR 86.A N ASN 84.A OD1 no hydrogen 3.009 N/A THR 86.A OG1 ASN 84.A OD1 no hydrogen 2.942 N/A THR 86.A OG1 ASP 87.A OD2 no hydrogen 3.549 N/A ASP 87.A N ASN 84.A OD1 no hydrogen 2.945 N/A VAL 88.A N ILE 43.A O no hydrogen 2.931 N/A ILE 89.A N TYR 82.A O no hydrogen 2.742 N/A LEU 90.A N LYS 41.A O no hydrogen 2.904 N/A ILE 91.A N GLU 80.A O no hydrogen 2.771 N/A LEU 92.A N ALA 39.A O no hydrogen 2.781 N/A GLU 93.A N THR 77.A O no hydrogen 2.841 N/A GLY 97.A N LEU 138.A O no hydrogen 2.791 N/A LEU 100.A N ILE 136.A O no hydrogen 2.902 N/A THR 103.A N GLU 106.A OE1 no hydrogen 3.342 N/A THR 103.A OG1 GLU 106.A OE1 no hydrogen 3.433 N/A GLU 106.A N THR 103.A OG1 no hydrogen 3.102 N/A ALA 107.A N THR 103.A O no hydrogen 2.929 N/A THR 108.A N GLU 104.A O no hydrogen 2.815 N/A THR 108.A OG1 GLU 104.A O no hydrogen 3.004 N/A THR 108.A OG1 GLU 105.A O no hydrogen 3.132 N/A GLU 109.A N GLU 105.A O no hydrogen 2.920 N/A PHE 110.A N GLU 106.A O no hydrogen 3.150 N/A LEU 111.A N ALA 107.A O no hydrogen 2.736 N/A LYS 112.A N THR 108.A O no hydrogen 2.831 N/A LYS 112.A NZ ASN 116.A OD1 no hydrogen 2.498 N/A GLN 113.A NE2 GLU 109.A O no hydrogen 3.492 N/A GLN 113.A NE2 PRO 143.A O no hydrogen 2.904 N/A ILE 114.A N PHE 110.A O no hydrogen 3.026 N/A LEU 115.A N LEU 111.A O no hydrogen 2.751 N/A ASN 116.A N LYS 112.A O no hydrogen 2.822 N/A GLY 117.A N GLN 113.A O no hydrogen 3.004 N/A VAL 118.A N ILE 114.A O no hydrogen 2.880 N/A TYR 119.A N LEU 115.A O no hydrogen 2.744 N/A TYR 120.A N ASN 116.A O no hydrogen 3.074 N/A LEU 121.A N GLY 117.A O no hydrogen 3.039 N/A HIS 122.A N VAL 118.A O no hydrogen 2.800 N/A HIS 122.A NE2 ASP 187.A OD2 no hydrogen 2.805 N/A SER 123.A N TYR 119.A O no hydrogen 2.844 N/A SER 123.A OG TYR 119.A O no hydrogen 2.619 N/A LEU 124.A N TYR 120.A O no hydrogen 3.189 N/A LEU 124.A N LEU 121.A O no hydrogen 2.887 N/A GLN 125.A N HIS 122.A O no hydrogen 2.892 N/A ILE 126.A N LEU 121.A O no hydrogen 2.896 N/A ALA 127.A N HIS 154.A O no hydrogen 2.943 N/A HIS 128.A N ASP 187.A OD2 no hydrogen 2.813 N/A HIS 128.A NE2 ILE 148.A O no hydrogen 2.902 N/A PHE 129.A N ASP 187.A OD1 no hydrogen 2.848 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.996 N/A LYS 132.A NZ THR 168.A OG1 no hydrogen 2.892 N/A ASN 135.A N LYS 132.A O no hydrogen 2.741 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.799 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 3.285 N/A ILE 136.A N PRO 133.A O no hydrogen 3.051 N/A MET 137.A N LYS 146.A O no hydrogen 2.974 N/A LEU 138.A N GLY 98.A O no hydrogen 2.820 N/A LEU 139.A N ARG 144.A O no hydrogen 2.767 N/A ARG 144.A NE PRO 73.A O no hydrogen 3.287 N/A ILE 145.A N GLN 113.A OE1 no hydrogen 2.923 N/A LYS 146.A N MET 137.A O no hydrogen 2.773 N/A LYS 146.A NZ VAL 75.A O no hydrogen 3.052 N/A LYS 146.A NZ GLU 93.A OE1 no hydrogen 2.646 N/A LYS 146.A NZ GLU 93.A OE2 no hydrogen 2.898 N/A ILE 147.A N ASN 74.A O no hydrogen 2.878 N/A ILE 148.A N ASN 135.A O no hydrogen 2.932 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.225 N/A ALA 153.A N PHE 150.A O no hydrogen 3.235 N/A HIS 154.A N ALA 127.A O no hydrogen 2.948 N/A HIS 154.A ND1 LEU 152.A O no hydrogen 2.756 N/A LYS 155.A NZ GLU 69.A OE1 no hydrogen 3.073 N/A LYS 155.A NZ LEU 124.A O no hydrogen 2.812 N/A ILE 156.A N GLN 125.A O no hydrogen 2.730 N/A GLU 161.A N LEU 182.A O no hydrogen 2.678 N/A PHE 171.A N THR 168.A O no hydrogen 2.855 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.784 N/A VAL 177.A N ALA 173.A O no hydrogen 3.203 N/A ASN 178.A N PRO 174.A O no hydrogen 2.845 N/A ASN 178.A ND2 PRO 174.A O no hydrogen 2.973 N/A ASN 178.A ND2 SER 218.A OG no hydrogen 2.930 N/A TYR 179.A N ILE 176.A O no hydrogen 3.082 N/A GLU 180.A N GLU 175.A O no hydrogen 2.828 N/A LEU 182.A N GLU 161.A O no hydrogen 2.802 N/A ALA 186.A N GLY 183.A O no hydrogen 3.261 N/A ASP 187.A N LEU 184.A O no hydrogen 3.182 N/A MET 188.A N GLU 185.A O no hydrogen 2.976 N/A TRP 189.A N GLU 185.A O no hydrogen 3.178 N/A SER 190.A N ALA 186.A O no hydrogen 3.136 N/A SER 190.A OG PHE 171.A O no hydrogen 2.848 N/A SER 190.A OG ALA 186.A O no hydrogen 3.281 N/A ILE 191.A N ASP 187.A O no hydrogen 2.952 N/A GLY 192.A N MET 188.A O no hydrogen 3.139 N/A VAL 193.A N TRP 189.A O no hydrogen 3.107 N/A ILE 194.A N SER 190.A O no hydrogen 2.898 N/A THR 195.A N ILE 191.A O no hydrogen 2.835 N/A THR 195.A OG1 ILE 191.A O no hydrogen 2.814 N/A TYR 196.A N GLY 192.A O no hydrogen 2.935 N/A TYR 196.A OH GLU 223.A O no hydrogen 2.622 N/A ILE 197.A N VAL 193.A O no hydrogen 3.019 N/A LEU 198.A N ILE 194.A O no hydrogen 2.845 N/A LEU 199.A N THR 195.A O no hydrogen 3.131 N/A SER 200.A N TYR 196.A O no hydrogen 3.174 N/A SER 200.A N ILE 197.A O no hydrogen 3.286 N/A SER 200.A OG TYR 196.A O no hydrogen 2.828 N/A GLY 201.A N ILE 197.A O no hydrogen 2.792 N/A ALA 202.A N SER 200.A OG no hydrogen 3.031 N/A SER 203.A OG GLU 170.A OE1 no hydrogen 2.693 N/A GLY 207.A N THR 213.A OG1 no hydrogen 2.862 N/A ASP 208.A N GLU 212.A OE1 no hydrogen 3.252 N/A GLN 211.A N GLN 211.A OE1 no hydrogen 2.919 N/A GLU 212.A N THR 209.A OG1 no hydrogen 3.231 N/A THR 213.A N THR 209.A O no hydrogen 3.059 N/A THR 213.A OG1 THR 209.A O no hydrogen 3.242 N/A LEU 214.A N LYS 210.A O no hydrogen 2.943 N/A ALA 215.A N GLN 211.A O no hydrogen 2.862 N/A ASN 216.A N GLU 212.A O no hydrogen 2.890 N/A ASN 216.A ND2 PHE 205.A O no hydrogen 3.053 N/A VAL 217.A N THR 213.A O no hydrogen 2.862 N/A SER 218.A N LEU 214.A O no hydrogen 2.995 N/A ALA 219.A N ALA 215.A O no hydrogen 3.081 N/A VAL 220.A N VAL 217.A O no hydrogen 3.056 N/A ASN 221.A N ASN 216.A O no hydrogen 2.823 N/A TYR 222.A N VAL 220.A O no hydrogen 3.136 N/A TYR 228.A N GLU 225.A O no hydrogen 2.891 N/A PHE 229.A N GLU 225.A O no hydrogen 2.837 N/A THR 232.A N PHE 229.A O no hydrogen 2.935 N/A SER 233.A N GLU 104.A OE2 no hydrogen 2.668 N/A SER 233.A OG GLU 104.A OE1 no hydrogen 2.765 N/A SER 233.A OG GLU 104.A OE2 no hydrogen 3.529 N/A ALA 236.A N SER 233.A OG no hydrogen 3.052 N/A LYS 237.A N SER 233.A O no hydrogen 3.261 N/A ASP 238.A N ALA 234.A O no hydrogen 2.857 N/A PHE 239.A N LEU 235.A O no hydrogen 2.978 N/A ILE 240.A N ALA 236.A O no hydrogen 3.188 N/A ARG 241.A N LYS 237.A O no hydrogen 2.857 N/A ARG 242.A N ASP 238.A O no hydrogen 3.052 N/A ARG 242.A NE ASP 238.A OD1 no hydrogen 2.771 N/A ARG 242.A NE ASP 238.A OD2 no hydrogen 3.301 N/A ARG 242.A NH2 ASP 238.A OD2 no hydrogen 3.052 N/A LEU 243.A N ILE 240.A O no hydrogen 2.989 N/A LEU 244.A N ILE 240.A O no hydrogen 2.929 N/A LYS 246.A NZ SER 218.A O no hydrogen 2.733 N/A LYS 249.A N ASP 247.A OD1 no hydrogen 3.012 N/A LYS 250.A N ASP 247.A O no hydrogen 2.935 N/A LYS 250.A NZ ASP 247.A OD2 no hydrogen 2.942 N/A ARG 251.A N PRO 248.A O no hydrogen 3.278 N/A ARG 251.A NE VAL 245.A O no hydrogen 2.911 N/A ARG 251.A NH1 GLU 175.A OE2 no hydrogen 2.816 N/A ARG 251.A NH1 GLU 185.A O no hydrogen 2.855 N/A ARG 251.A NH2 GLU 175.A OE1 no hydrogen 2.909 N/A ARG 251.A NH2 VAL 245.A O no hydrogen 2.929 N/A MET 252.A N ARG 242.A O no hydrogen 3.033 N/A THR 253.A N ASP 256.A OD2 no hydrogen 3.094 N/A ASP 256.A N THR 253.A OG1 no hydrogen 2.964 N/A SER 257.A N THR 253.A O no hydrogen 2.853 N/A SER 257.A OG ILE 254.A O no hydrogen 2.770 N/A LEU 258.A N ILE 254.A O no hydrogen 3.111 N/A GLN 259.A N GLN 255.A O no hydrogen 3.200 N/A GLN 259.A N ASP 256.A O no hydrogen 3.089 N/A HIS 260.A NE2 ASP 238.A OD1 no hydrogen 2.710 N/A TRP 262.A N HIS 260.A ND1 no hydrogen 3.024 N/A TRP 262.A NE1 GLU 104.A OE1 no hydrogen 2.961 N/A ILE 263.A N HIS 260.A O no hydrogen 2.818 N/A LYS 264.A N HIS 260.A O no hydrogen 2.846 N/A LYS 264.A NZ GLN 259.A OE1 no hydrogen 2.823 N/A