Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a6w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 179.A OE1 no hydrogen 3.050 N/A LYS 5.A N GLY 197.A O no hydrogen 2.876 N/A LYS 5.A NZ SER 3.A OG no hydrogen 2.920 N/A LYS 5.A NZ ILE 172.A O no hydrogen 3.150 N/A LYS 5.A NZ GLU 178.A OE1 no hydrogen 2.915 N/A LYS 5.A NZ THR 199.A OG1 no hydrogen 3.020 N/A THR 6.A N ASP 9.A OD2 no hydrogen 3.016 N/A ASP 9.A N THR 6.A OG1 no hydrogen 2.938 N/A ILE 10.A N THR 6.A O no hydrogen 2.853 N/A GLU 11.A N PRO 7.A O no hydrogen 3.000 N/A LYS 12.A N GLU 8.A O no hydrogen 3.135 N/A MET 13.A N ASP 9.A O no hydrogen 2.941 N/A ARG 14.A N ILE 10.A O no hydrogen 2.774 N/A ARG 14.A NE GLU 245.A OE2 no hydrogen 2.871 N/A ARG 14.A NH1 GLU 11.A OE1 no hydrogen 2.923 N/A ARG 14.A NH2 GLU 245.A OE1 no hydrogen 2.942 N/A VAL 15.A N GLU 11.A O no hydrogen 3.026 N/A ALA 16.A N LYS 12.A O no hydrogen 3.013 N/A GLY 17.A N MET 13.A O no hydrogen 2.790 N/A ARG 18.A N ARG 14.A O no hydrogen 2.911 N/A ARG 18.A NH1 GLU 22.A OE1 no hydrogen 3.339 N/A LEU 19.A N VAL 15.A O no hydrogen 3.007 N/A ALA 20.A N ALA 16.A O no hydrogen 3.042 N/A ALA 21.A N GLY 17.A O no hydrogen 3.059 N/A GLU 22.A N ARG 18.A O no hydrogen 2.898 N/A VAL 23.A N LEU 19.A O no hydrogen 2.969 N/A VAL 23.A N ALA 20.A O no hydrogen 3.162 N/A LEU 24.A N ALA 20.A O no hydrogen 3.461 N/A GLU 25.A N ALA 21.A O no hydrogen 2.956 N/A MET 26.A N GLU 22.A O no hydrogen 2.867 N/A ILE 27.A N VAL 23.A O no hydrogen 2.963 N/A TYR 30.A N ILE 27.A O no hydrogen 2.892 N/A VAL 31.A N GLU 28.A O no hydrogen 2.995 N/A GLY 34.A N LEU 87.A O no hydrogen 2.831 N/A VAL 35.A N LYS 32.A O no hydrogen 3.190 N/A THR 37.A N LYS 85.A O no hydrogen 2.869 N/A THR 37.A OG1 ASP 82.A O no hydrogen 3.232 N/A GLY 38.A N ASP 82.A O no hydrogen 2.992 N/A GLU 39.A N SER 36.A OG no hydrogen 2.860 N/A LEU 40.A N SER 36.A O no hydrogen 3.129 N/A ASP 41.A N THR 37.A O no hydrogen 2.953 N/A ARG 42.A N GLY 38.A O no hydrogen 3.040 N/A ARG 42.A NE GLU 39.A OE1 no hydrogen 3.442 N/A ARG 42.A NH1 ASP 83.A OD1 no hydrogen 2.690 N/A ARG 42.A NH1 ASP 83.A OD2 no hydrogen 3.479 N/A ARG 42.A NH2 GLU 39.A OE1 no hydrogen 2.915 N/A ARG 42.A NH2 ASP 83.A OD1 no hydrogen 3.307 N/A ILE 43.A N GLU 39.A O no hydrogen 2.910 N/A CYS 44.A N LEU 40.A O no hydrogen 2.966 N/A CYS 44.A SG LEU 40.A O no hydrogen 3.413 N/A ASN 45.A N ASP 41.A O no hydrogen 2.880 N/A ASP 46.A N ARG 42.A O no hydrogen 2.898 N/A TYR 47.A N ILE 43.A O no hydrogen 3.016 N/A ILE 48.A N CYS 44.A O no hydrogen 2.908 N/A VAL 49.A N ASN 45.A O no hydrogen 2.987 N/A ASN 50.A N ASP 46.A O no hydrogen 2.808 N/A GLU 51.A N TYR 47.A O no hydrogen 2.983 N/A GLN 52.A N TYR 47.A O no hydrogen 2.927 N/A GLN 52.A NE2 LEU 19.A O no hydrogen 2.896 N/A ALA 54.A N ILE 48.A O no hydrogen 3.005 N/A VAL 55.A N ILE 100.A O no hydrogen 3.144 N/A SER 56.A OG SER 67.A O no hydrogen 2.674 N/A ALA 57.A N THR 98.A O no hydrogen 2.917 N/A CYS 58.A N SER 56.A OG no hydrogen 2.985 N/A LEU 59.A N SER 56.A OG no hydrogen 3.269 N/A GLY 60.A N TYR 64.A O no hydrogen 2.739 N/A TYR 61.A N CYS 58.A O no hydrogen 2.946 N/A GLY 63.A N GLY 60.A O no hydrogen 2.819 N/A TYR 64.A N TYR 61.A O no hydrogen 2.859 N/A TYR 64.A OH VAL 68.A O no hydrogen 2.984 N/A TYR 64.A OH GLY 79.A O no hydrogen 3.079 N/A SER 67.A N ASP 41.A OD1 no hydrogen 2.774 N/A VAL 68.A N ASP 41.A OD1 no hydrogen 3.012 N/A CYS 69.A N ASP 96.A O no hydrogen 3.206 N/A CYS 69.A SG TYR 64.A OH no hydrogen 3.519 N/A ILE 70.A N GLY 79.A O no hydrogen 2.985 N/A SER 71.A N ASN 94.A O no hydrogen 2.837 N/A ASN 73.A N ILE 92.A O no hydrogen 2.813 N/A ASN 73.A ND2 ASP 91.A OD1 no hydrogen 2.911 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.749 N/A VAL 75.A N ILE 72.A O no hydrogen 2.940 N/A VAL 76.A N VAL 222.A O no hydrogen 2.726 N/A GLY 79.A N SER 71.A OG no hydrogen 3.134 N/A ASP 82.A N THR 37.A OG1 no hydrogen 2.883 N/A ALA 84.A N ASP 82.A OD1 no hydrogen 3.024 N/A LYS 85.A N ASP 82.A O no hydrogen 3.034 N/A LEU 87.A N VAL 35.A O no hydrogen 2.882 N/A LYS 88.A N ASP 91.A OD2 no hydrogen 2.922 N/A LYS 88.A NZ ASP 91.A OD1 no hydrogen 2.733 N/A GLY 90.A N VAL 114.A O no hydrogen 2.843 N/A ASP 91.A N LYS 88.A O no hydrogen 3.074 N/A ILE 92.A N ASN 73.A OD1 no hydrogen 2.977 N/A VAL 93.A N PHE 112.A O no hydrogen 2.825 N/A ASN 94.A N SER 71.A O no hydrogen 2.896 N/A ASN 94.A ND2 SER 109.A OG no hydrogen 2.999 N/A ASN 94.A ND2 GLN 232.A O no hydrogen 2.834 N/A ILE 95.A N LYS 110.A O no hydrogen 3.113 N/A ASP 96.A N CYS 69.A O no hydrogen 2.890 N/A VAL 97.A N THR 108.A O no hydrogen 2.853 N/A THR 98.A OG1 ASP 107.A OD1 no hydrogen 2.723 N/A VAL 99.A N GLY 106.A O no hydrogen 2.919 N/A ILE 100.A N VAL 55.A O no hydrogen 2.758 N/A LYS 101.A N PHE 104.A O no hydrogen 2.931 N/A LYS 101.A NZ GLN 52.A O no hydrogen 3.569 N/A LYS 101.A NZ HIS 53.A O no hydrogen 2.874 N/A PHE 104.A N LYS 101.A O no hydrogen 3.038 N/A HIS 105.A N GLY 173.A O no hydrogen 2.908 N/A HIS 105.A ND1 GLY 173.A O no hydrogen 2.816 N/A GLY 106.A N VAL 99.A O no hydrogen 2.927 N/A ASP 107.A N THR 236.A OG1 no hydrogen 3.111 N/A THR 108.A N VAL 97.A O no hydrogen 3.030 N/A THR 108.A OG1 GLU 234.A O no hydrogen 2.824 N/A SER 109.A N GLU 234.A O no hydrogen 3.332 N/A LYS 110.A N ILE 95.A O no hydrogen 3.339 N/A LYS 110.A NZ ASP 252.A OD2 no hydrogen 3.468 N/A PHE 112.A N VAL 93.A O no hydrogen 2.805 N/A VAL 114.A N ASP 91.A O no hydrogen 2.911 N/A LYS 116.A N ASP 89.A OD1 no hydrogen 3.044 N/A GLU 122.A N THR 118.A O no hydrogen 2.931 N/A ARG 123.A N ILE 119.A O no hydrogen 2.932 N/A LEU 124.A N MET 120.A O no hydrogen 2.937 N/A CYS 125.A N GLY 121.A O no hydrogen 3.009 N/A CYS 125.A SG GLY 121.A O no hydrogen 3.341 N/A ARG 126.A N GLU 122.A O no hydrogen 2.922 N/A ARG 126.A NH1 GLU 130.A OE2 no hydrogen 2.974 N/A ILE 127.A N ARG 123.A O no hydrogen 2.863 N/A THR 128.A N LEU 124.A O no hydrogen 2.921 N/A THR 128.A OG1 LEU 124.A O no hydrogen 2.792 N/A GLN 129.A N CYS 125.A O no hydrogen 2.963 N/A GLU 130.A N ARG 126.A O no hydrogen 2.876 N/A SER 131.A N ILE 127.A O no hydrogen 2.809 N/A SER 131.A OG THR 128.A O no hydrogen 2.768 N/A LEU 132.A N THR 128.A O no hydrogen 3.091 N/A TYR 133.A N GLN 129.A O no hydrogen 2.814 N/A TYR 133.A OH ASP 253.A OD1 no hydrogen 2.585 N/A LEU 134.A N GLU 130.A O no hydrogen 2.847 N/A ALA 135.A N SER 131.A O no hydrogen 3.148 N/A LEU 136.A N LEU 132.A O no hydrogen 2.958 N/A ARG 137.A N TYR 133.A O no hydrogen 2.998 N/A MET 138.A N ALA 135.A O no hydrogen 3.001 N/A VAL 139.A N LEU 136.A O no hydrogen 3.259 N/A GLY 142.A N LEU 194.A O no hydrogen 2.818 N/A ILE 143.A N LYS 140.A O no hydrogen 3.302 N/A ASN 144.A N GLU 147.A OE2 no hydrogen 2.864 N/A LEU 145.A N VAL 192.A O no hydrogen 2.841 N/A ARG 146.A N ASN 144.A OD1 no hydrogen 2.957 N/A ARG 146.A NE ASP 186.A OD1 no hydrogen 2.786 N/A ARG 146.A NH2 ASP 186.A OD1 no hydrogen 3.548 N/A ARG 146.A NH2 ASP 186.A OD2 no hydrogen 2.960 N/A GLU 147.A N ASN 144.A O no hydrogen 2.987 N/A GLY 149.A N LEU 145.A O no hydrogen 2.922 N/A ALA 150.A N ARG 146.A O no hydrogen 2.859 N/A ALA 151.A N GLU 147.A O no hydrogen 3.028 N/A ILE 152.A N ILE 148.A O no hydrogen 3.034 N/A GLN 153.A N GLY 149.A O no hydrogen 3.096 N/A GLN 153.A NE2 GLU 157.A OE2 no hydrogen 2.985 N/A LYS 154.A N ALA 150.A O no hydrogen 2.981 N/A PHE 155.A N ALA 151.A O no hydrogen 3.117 N/A VAL 156.A N ILE 152.A O no hydrogen 2.972 N/A GLU 157.A N GLN 153.A O no hydrogen 2.888 N/A ALA 158.A N LYS 154.A O no hydrogen 3.114 N/A GLU 159.A N VAL 156.A O no hydrogen 3.166 N/A GLY 160.A N GLU 157.A O no hydrogen 2.956 N/A PHE 161.A N VAL 156.A O no hydrogen 3.246 N/A SER 162.A N ASN 207.A O no hydrogen 2.968 N/A SER 162.A OG GLY 209.A O no hydrogen 2.832 N/A VAL 164.A N MET 205.A O no hydrogen 2.919 N/A ARG 165.A NE VAL 163.A O no hydrogen 2.726 N/A ARG 165.A NH2 VAL 163.A O no hydrogen 3.166 N/A CYS 168.A SG GLY 169.A O no hydrogen 3.437 N/A GLY 169.A N VAL 182.A O no hydrogen 2.867 N/A HIS 170.A N THR 201.A OG1 no hydrogen 3.065 N/A HIS 170.A ND1 GLY 171.A O no hydrogen 2.925 N/A GLY 171.A N PRO 180.A O no hydrogen 2.858 N/A ILE 172.A N THR 199.A O no hydrogen 3.181 N/A GLY 173.A N GLY 175.A O no hydrogen 3.005 N/A GLY 175.A N GLU 178.A OE2 no hydrogen 3.018 N/A GLU 178.A N GLY 171.A O no hydrogen 2.906 N/A VAL 182.A N GLY 169.A O no hydrogen 2.839 N/A TYR 185.A OH ARG 165.A O no hydrogen 2.915 N/A ASP 186.A N GLN 153.A OE1 no hydrogen 2.883 N/A GLU 189.A N SER 187.A OG no hydrogen 2.915 N/A THR 190.A N SER 187.A O no hydrogen 3.010 N/A VAL 192.A N ASN 144.A OD1 no hydrogen 3.182 N/A LEU 194.A N ILE 143.A O no hydrogen 2.937 N/A GLY 197.A N VAL 239.A O no hydrogen 2.814 N/A MET 198.A N LYS 195.A O no hydrogen 3.279 N/A THR 199.A OG1 ILE 172.A O no hydrogen 2.569 N/A PHE 200.A N ILE 237.A O no hydrogen 3.087 N/A THR 201.A N HIS 170.A O no hydrogen 2.810 N/A THR 201.A OG1 GLU 203.A OE2 no hydrogen 2.808 N/A ILE 202.A N HIS 235.A O no hydrogen 3.065 N/A GLU 203.A N HIS 184.A NE2 no hydrogen 2.926 N/A VAL 206.A N ALA 231.A O no hydrogen 2.860 N/A ASN 207.A N SER 162.A O no hydrogen 2.748 N/A ASN 207.A ND2 LYS 210.A O no hydrogen 2.930 N/A ALA 208.A N LEU 229.A O no hydrogen 2.762 N/A GLY 209.A N SER 228.A OG no hydrogen 2.918 N/A LYS 210.A N ASP 226.A OD2 no hydrogen 2.751 N/A LYS 211.A NZ GLU 212.A OE2 no hydrogen 2.523 N/A ARG 214.A N LYS 223.A O no hydrogen 2.784 N/A MET 216.A N THR 221.A O no hydrogen 2.819 N/A GLY 219.A N MET 216.A O no hydrogen 3.117 N/A TRP 220.A N ASP 218.A OD1 no hydrogen 2.726 N/A THR 221.A N ASP 218.A OD1 no hydrogen 2.779 N/A THR 221.A OG1 ASP 218.A OD1 no hydrogen 3.318 N/A THR 221.A OG1 ASP 218.A OD2 no hydrogen 2.636 N/A VAL 222.A N CYS 77.A O no hydrogen 3.216 N/A LYS 223.A N ARG 214.A O no hydrogen 2.792 N/A THR 224.A N GLU 74.A O no hydrogen 2.960 N/A THR 224.A OG1 SER 228.A O no hydrogen 2.678 N/A LYS 225.A N GLU 212.A O no hydrogen 2.870 N/A ARG 227.A N THR 224.A O no hydrogen 3.141 N/A SER 228.A N ASP 226.A OD1 no hydrogen 2.955 N/A SER 228.A OG ASP 226.A OD1 no hydrogen 2.729 N/A SER 230.A N ASN 73.A O no hydrogen 3.105 N/A SER 230.A OG VAL 206.A O no hydrogen 3.328 N/A SER 230.A OG ASN 207.A OD1 no hydrogen 2.684 N/A ALA 231.A N VAL 206.A O no hydrogen 2.879 N/A GLN 232.A NE2 GLU 203.A O no hydrogen 3.023 N/A GLU 234.A N SER 109.A O no hydrogen 3.112 N/A HIS 235.A N ILE 202.A O no hydrogen 3.139 N/A HIS 235.A ND1 THR 248.A OG1 no hydrogen 2.750 N/A HIS 235.A NE2 ASP 253.A OD1 no hydrogen 2.894 N/A THR 236.A N THR 248.A OG1 no hydrogen 2.952 N/A THR 236.A OG1 ASP 107.A O no hydrogen 2.732 N/A ILE 237.A N PHE 200.A O no hydrogen 2.914 N/A VAL 238.A N GLU 245.A O no hydrogen 2.918 N/A VAL 239.A N MET 198.A O no hydrogen 2.869 N/A THR 240.A N GLY 243.A O no hydrogen 2.855 N/A THR 240.A OG1 ASN 242.A OD1 no hydrogen 3.289 N/A CYS 244.A N ILE 259.A O no hydrogen 3.150 N/A CYS 244.A SG LEU 136.A O no hydrogen 3.721 N/A GLU 245.A N VAL 238.A O no hydrogen 2.889 N/A ILE 246.A N ALA 257.A O no hydrogen 2.802 N/A LEU 247.A N THR 236.A O no hydrogen 2.801 N/A THR 248.A OG1 HIS 235.A ND1 no hydrogen 2.750 N/A ARG 250.A N ASP 253.A OD2 no hydrogen 2.891 N/A ARG 250.A NE ASP 252.A OD1 no hydrogen 2.795 N/A ARG 250.A NE ASP 252.A OD2 no hydrogen 3.375 N/A ARG 250.A NH2 ASP 252.A OD2 no hydrogen 2.838 N/A LYS 251.A N GLU 25.A OE2 no hydrogen 2.791 N/A ASP 253.A N ARG 250.A O no hydrogen 3.067 N/A THR 254.A N TYR 133.A OH no hydrogen 2.943 N/A ILE 259.A N CYS 244.A O no hydrogen 2.847 N/A HIS 261.A N ASN 242.A O no hydrogen 2.685 N/A