Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n58_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 18.A OD2 no hydrogen 2.875 N/A TYR 3.A N VAL 16.A O no hydrogen 2.959 N/A LYS 4.A N ASP 81.A OD1 no hydrogen 2.768 N/A VAL 5.A N ILE 14.A O no hydrogen 2.870 N/A LYS 6.A N CYS 82.A O no hydrogen 2.902 N/A ASP 7.A N ALA 12.A O no hydrogen 2.868 N/A VAL 8.A N ILE 84.A O no hydrogen 2.820 N/A THR 9.A N ASP 7.A OD1 no hydrogen 3.096 N/A THR 9.A OG1 THR 86.A O no hydrogen 2.717 N/A THR 10.A N ASP 7.A OD2 no hydrogen 3.136 N/A THR 10.A OG1 ASP 7.A OD2 no hydrogen 2.768 N/A GLY 11.A N ASP 7.A O no hydrogen 2.793 N/A ALA 12.A N THR 10.A OG1 no hydrogen 3.173 N/A ILE 14.A N VAL 5.A O no hydrogen 3.038 N/A VAL 16.A N TYR 3.A O no hydrogen 2.735 N/A ASP 18.A N ALA 1.A O no hydrogen 2.866 N/A LYS 20.A N PRO 17.A O no hydrogen 3.098 N/A TYR 21.A OH ASP 58.A OD2 no hydrogen 2.471 N/A ILE 22.A N SER 76.A O no hydrogen 2.915 N/A LEU 23.A N THR 73.A O no hydrogen 2.930 N/A GLU 25.A N TYR 21.A O no hydrogen 3.205 N/A PHE 26.A N ILE 22.A O no hydrogen 3.016 N/A GLU 27.A N LEU 23.A O no hydrogen 2.971 N/A LYS 28.A N ASP 24.A O no hydrogen 2.915 N/A GLN 29.A N GLU 25.A O no hydrogen 3.154 N/A GLN 29.A NE2 GLU 25.A OE1 no hydrogen 3.085 N/A GLY 30.A N GLU 27.A O no hydrogen 2.939 N/A VAL 31.A N PHE 26.A O no hydrogen 2.756 N/A SER 36.A OG SER 44.A OG no hydrogen 2.701 N/A ARG 38.A NH1 GLU 27.A OE1 no hydrogen 3.471 N/A ARG 38.A NH1 GLU 27.A OE2 no hydrogen 2.853 N/A ARG 38.A NH2 ASP 24.A OD2 no hydrogen 3.067 N/A ARG 38.A NH2 GLU 27.A OE1 no hydrogen 2.833 N/A CYS 42.A SG SER 36.A OG no hydrogen 3.075 N/A CYS 42.A SG SER 44.A OG no hydrogen 3.451 N/A SER 43.A OG GLU 89.A OE2 no hydrogen 3.008 N/A SER 44.A OG SER 36.A OG no hydrogen 2.701 N/A VAL 46.A N SER 43.A O no hydrogen 3.171 N/A ALA 47.A N ILE 71.A O no hydrogen 2.902 N/A LEU 48.A N GLU 85.A O no hydrogen 2.972 N/A ILE 49.A N LYS 69.A O no hydrogen 2.903 N/A SER 50.A N THR 83.A O no hydrogen 2.801 N/A SER 50.A OG THR 83.A O no hydrogen 3.332 N/A SER 51.A N THR 83.A O no hydrogen 3.314 N/A GLU 53.A N SER 80.A OG no hydrogen 3.083 N/A ASP 55.A N TYR 77.A O no hydrogen 2.751 N/A GLN 56.A NE2 TYR 70.A O no hydrogen 3.054 N/A SER 57.A N ASP 55.A OD1 no hydrogen 2.964 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.566 N/A GLY 59.A N GLN 56.A O no hydrogen 2.809 N/A SER 60.A N GLY 40.A O no hydrogen 2.822 N/A SER 60.A OG GLY 40.A O no hydrogen 3.241 N/A PHE 61.A N GLY 40.A O no hydrogen 3.098 N/A SER 63.A N GLN 66.A OE1 no hydrogen 2.966 N/A SER 63.A OG GLN 66.A OE1 no hydrogen 3.439 N/A SER 63.A OG ASP 95.A OD1 no hydrogen 2.622 N/A SER 63.A OG ASP 95.A OD2 no hydrogen 3.477 N/A LYS 65.A NZ GLU 102.A OE1 no hydrogen 2.756 N/A LYS 65.A NZ GLU 102.A OE2 no hydrogen 3.532 N/A GLN 66.A N SER 63.A OG no hydrogen 2.996 N/A GLN 66.A NE2 LEU 93.A O no hydrogen 3.032 N/A GLU 67.A N SER 63.A O no hydrogen 2.851 N/A LYS 68.A N LYS 65.A O no hydrogen 3.073 N/A LYS 69.A N GLN 66.A O no hydrogen 2.934 N/A LYS 69.A NZ GLU 102.A OE2 no hydrogen 2.607 N/A TYR 70.A N GLN 66.A O no hydrogen 2.816 N/A ILE 71.A N ALA 47.A O no hydrogen 2.912 N/A LEU 72.A N GLN 56.A OE1 no hydrogen 3.038 N/A THR 73.A N CYS 45.A O no hydrogen 3.274 N/A THR 73.A OG1 CYS 45.A O no hydrogen 2.661 N/A CYS 75.A N LEU 72.A O no hydrogen 3.166 N/A CYS 75.A SG LEU 72.A O no hydrogen 3.880 N/A SER 76.A OG LEU 72.A O no hydrogen 2.584 N/A TYR 77.A N ASP 55.A O no hydrogen 3.005 N/A LYS 79.A N GLU 53.A O no hydrogen 2.859 N/A LYS 79.A NZ GLU 53.A OE2 no hydrogen 3.014 N/A SER 80.A OG ASP 81.A O no hydrogen 2.795 N/A CYS 82.A N LYS 4.A O no hydrogen 2.886 N/A CYS 82.A SG GLU 53.A O no hydrogen 3.577 N/A CYS 82.A SG SER 80.A O no hydrogen 3.333 N/A THR 83.A N SER 51.A O no hydrogen 2.965 N/A ILE 84.A N LYS 6.A O no hydrogen 2.805 N/A GLU 85.A N LEU 48.A O no hydrogen 2.810 N/A THR 86.A N ASP 7.A OD1 no hydrogen 2.932 N/A THR 86.A OG1 ASP 7.A OD1 no hydrogen 3.327 N/A THR 86.A OG1 ASP 7.A OD2 no hydrogen 2.716 N/A TYR 88.A N VAL 46.A O no hydrogen 3.182 N/A ASP 90.A N ASP 90.A OD1.B no hydrogen 2.583 N/A LYS 91.A N TYR 88.A O no hydrogen 2.832 N/A LEU 93.A N TYR 70.A OH no hydrogen 2.785 N/A GLU 97.A N GLU 94.A O no hydrogen 3.022 N/A ILE 98.A N GLU 94.A O no hydrogen 3.080 N/A GLU 99.A N ASP 95.A O no hydrogen 2.953 N/A ALA 101.A N GLU 97.A O no hydrogen 3.421 N/A GLU 102.A N ILE 98.A O no hydrogen 3.211 N/A THR 103.A N GLU 99.A O no hydrogen 2.933 N/A THR 103.A OG1 GLU 99.A O no hydrogen 2.963 N/A GLY 104.A N LEU 100.A O no hydrogen 3.134 N/A LEU 105.A N ALA 101.A O no hydrogen 3.163 N/A GLU 106.A N GLU 102.A O no hydrogen 3.178 N/A PHE 107.A N THR 103.A O no hydrogen 2.821 N/A PHE 108.A N GLY 104.A O no hydrogen 2.935 N/A ASN 109.A ND2 LEU 110.A O no hydrogen 3.405 N/A ARG 112.A N ASN 109.A OD1 no hydrogen 2.997 N/A ARG 112.A NE ASP 128.A OD2 no hydrogen 2.742 N/A ARG 112.A NH2 ALA 101.A O no hydrogen 2.794 N/A ARG 112.A NH2 ASP 128.A OD1 no hydrogen 2.932 N/A ARG 112.A NH2 ASP 128.A OD2 no hydrogen 3.569 N/A ILE 116.A N SER 139.A O no hydrogen 2.905 N/A LEU 117.A N GLU 125.A OE1 no hydrogen 2.928 N/A ALA 122.A N GLY 119.A O no hydrogen 3.075 N/A GLU 125.A N THR 121.A O no hydrogen 2.942 N/A ALA 126.A N ALA 122.A O no hydrogen 2.896 N/A PHE 127.A N PRO 123.A O no hydrogen 3.191 N/A ASP 128.A N PHE 124.A O no hydrogen 2.907 N/A HIS 129.A N GLU 125.A O no hydrogen 3.010 N/A HIS 129.A NE2 VAL 136.A O no hydrogen 2.825 N/A TYR 130.A N ALA 126.A O no hydrogen 2.977 N/A TYR 130.A OH ASP 223.A OD1 no hydrogen 3.396 N/A LEU 131.A N PHE 127.A O no hydrogen 3.012 N/A PHE 132.A N ASP 128.A O no hydrogen 2.976 N/A GLY 133.A N HIS 129.A O no hydrogen 2.752 N/A VAL 136.A N GLY 133.A O no hydrogen 3.369 N/A ARG 138.A N GLU 250.A O no hydrogen 2.991 N/A ARG 138.A NE GLY 114.A O no hydrogen 2.818 N/A ARG 138.A NH1 HIS 129.A ND1 no hydrogen 3.151 N/A ARG 138.A NH2 GLU 115.A O no hydrogen 2.930 N/A ARG 138.A NH2 GLU 125.A OE2 no hydrogen 2.902 N/A SER 139.A N GLY 114.A O no hydrogen 3.113 N/A ILE 140.A N ARG 252.A O no hydrogen 2.941 N/A ILE 142.A N PRO 254.A O no hydrogen 2.926 N/A ASN 143.A N ASN 141.A OD1 no hydrogen 2.906 N/A ASN 143.A ND2 ASN 141.A OD1 no hydrogen 3.106 N/A ASN 143.A ND2 GLU 256.A O no hydrogen 3.128 N/A ASP 144.A N ASN 141.A O no hydrogen 2.812 N/A ASN 148.A N ASP 182.A OD1 no hydrogen 2.806 N/A ASN 150.A N GLN 153.A OE1 no hydrogen 2.982 N/A VAL 151.A N GLU 261.A OE1 no hydrogen 2.867 N/A SER 152.A OG ASN 150.A OD1 no hydrogen 2.387 N/A GLN 153.A N ASN 150.A O no hydrogen 3.010 N/A ILE 154.A N VAL 151.A O no hydrogen 2.995 N/A ILE 157.A N ILE 154.A O no hydrogen 3.046 N/A MET 158.A N ILE 154.A O no hydrogen 3.087 N/A SER 159.A N PRO 155.A O no hydrogen 2.804 N/A LEU 160.A N ILE 157.A O no hydrogen 3.063 N/A LEU 161.A N ILE 157.A O no hydrogen 3.110 N/A ASN 162.A N MET 158.A O no hydrogen 2.704 N/A GLY 163.A N LEU 160.A O no hydrogen 3.413 N/A ASN 165.A N GLY 163.A O no hydrogen 2.902 N/A ASN 165.A ND2 LEU 160.A O no hydrogen 2.952 N/A GLY 167.A N VAL 203.A O no hydrogen 2.888 N/A PHE 169.A N LEU 201.A O no hydrogen 2.836 N/A ILE 171.A N GLY 199.A O no hydrogen 2.849 N/A SER 173.A N THR 197.A O no hydrogen 3.020 N/A PHE 175.A N MET 195.A O no hydrogen 2.865 N/A ARG 177.A N ILE 193.A O no hydrogen 2.823 N/A ARG 177.A NE ASP 182.A OD2 no hydrogen 2.904 N/A ARG 177.A NH1 GLN 153.A OE1 no hydrogen 3.004 N/A ARG 177.A NH2 ASN 148.A O no hydrogen 2.994 N/A ARG 177.A NH2 GLN 153.A OE1 no hydrogen 3.355 N/A ARG 177.A NH2 ASP 182.A OD1 no hydrogen 2.755 N/A ARG 177.A NH2 ASP 182.A OD2 no hydrogen 3.562 N/A THR 179.A N GLY 191.A O no hydrogen 3.053 N/A THR 179.A OG1 GLY 191.A O no hydrogen 2.639 N/A ALA 180.A N ASN 178.A OD1 no hydrogen 3.053 N/A LEU 181.A N ASN 178.A O no hydrogen 2.971 N/A ASP 182.A N THR 179.A O no hydrogen 2.855 N/A GLY 183.A N ALA 180.A O no hydrogen 3.194 N/A ALA 187.A N GLY 183.A O no hydrogen 3.030 N/A ALA 188.A N TYR 184.A O no hydrogen 2.960 N/A TYR 189.A N VAL 186.A O no hydrogen 3.020 N/A LEU 190.A N VAL 186.A O no hydrogen 2.820 N/A GLY 191.A N ALA 187.A O no hydrogen 3.103 N/A ILE 193.A N ARG 177.A O no hydrogen 2.946 N/A MET 195.A N PHE 175.A O no hydrogen 2.785 N/A ARG 196.A N ARG 216.A O no hydrogen 2.842 N/A ARG 196.A NE GLU 198.A OE2 no hydrogen 3.113 N/A ARG 196.A NH1 ASP 174.A OD1 no hydrogen 2.972 N/A THR 197.A N SER 173.A O no hydrogen 2.931 N/A THR 197.A OG1 TYR 211.A OH no hydrogen 2.722 N/A THR 197.A OG1 VAL 214.A O no hydrogen 2.784 N/A GLU 198.A N VAL 214.A O no hydrogen 3.002 N/A GLY 199.A N ILE 171.A O no hydrogen 2.978 N/A VAL 200.A N GLU 212.A O no hydrogen 2.898 N/A LEU 201.A N PHE 169.A O no hydrogen 2.888 N/A ASN 202.A N GLN 210.A O no hydrogen 2.821 N/A VAL 203.A N GLY 167.A O no hydrogen 2.936 N/A LYS 204.A N THR 208.A O no hydrogen 2.796 N/A GLY 207.A N LYS 204.A O no hydrogen 2.962 N/A THR 208.A N ASP 206.A OD1 no hydrogen 2.954 N/A THR 208.A OG1 ASP 206.A OD1 no hydrogen 2.636 N/A TRP 209.A N GLY 263.A O no hydrogen 3.011 N/A GLN 210.A N ASN 202.A O no hydrogen 2.901 N/A TYR 211.A N GLU 261.A O no hydrogen 2.911 N/A TYR 211.A OH THR 197.A OG1 no hydrogen 2.722 N/A GLU 212.A N VAL 200.A O no hydrogen 3.097 N/A GLY 213.A N ILE 259.A O no hydrogen 2.898 N/A VAL 214.A N GLU 198.A O no hydrogen 2.897 N/A ILE 215.A N LEU 257.A O no hydrogen 2.867 N/A ARG 216.A N ARG 196.A O no hydrogen 3.013 N/A ARG 216.A NH1 GLU 198.A OE1 no hydrogen 3.088 N/A ARG 216.A NH1 GLU 256.A OE2 no hydrogen 3.024 N/A ARG 216.A NH2 GLU 198.A OE1 no hydrogen 3.368 N/A ARG 216.A NH2 GLU 198.A OE2 no hydrogen 2.747 N/A SER 217.A OG TYR 218.A O no hydrogen 2.873 N/A TYR 218.A N THR 194.A O no hydrogen 3.088 N/A TYR 218.A OH ASP 174.A OD1 no hydrogen 2.585 N/A TYR 218.A OH ASP 174.A OD2 no hydrogen 3.153 N/A ASP 220.A N ILE 251.A O no hydrogen 2.909 N/A THR 221.A OG1 GLU 250.A OE1 no hydrogen 3.452 N/A THR 221.A OG1 GLU 250.A OE2 no hydrogen 2.334 N/A TYR 222.A N TYR 249.A O no hydrogen 2.779 N/A ASN 225.A N ASP 223.A OD1 no hydrogen 3.110 N/A SER 227.A N ASN 225.A OD1 no hydrogen 3.298 N/A SER 227.A OG ASN 225.A OD1 no hydrogen 2.953 N/A THR 228.A N ASN 225.A O no hydrogen 2.839 N/A THR 228.A OG1 ASN 225.A O no hydrogen 2.876 N/A HIS 229.A N PRO 226.A O no hydrogen 3.312 N/A HIS 229.A NE2 ALA 224.A O no hydrogen 2.953 N/A ARG 230.A NH1.A ASN 178.A OD1 no hydrogen 3.441 N/A ARG 230.A NH2.A ASN 178.A OD1 no hydrogen 2.818 N/A GLY 231.A N HIS 229.A ND1 no hydrogen 3.080 N/A THR 238.A N GLY 234.A O no hydrogen 2.984 N/A THR 238.A OG1 GLY 234.A O no hydrogen 2.747 N/A GLY 239.A N GLU 235.A O no hydrogen 2.963 N/A VAL 240.A N TRP 236.A O no hydrogen 3.078 N/A LEU 241.A N ALA 237.A O no hydrogen 2.994 N/A ASN 242.A N THR 238.A O no hydrogen 2.914 N/A ASN 242.A N GLY 239.A O no hydrogen 3.070 N/A ASN 243.A N VAL 240.A O no hydrogen 2.924 N/A ASN 243.A ND2 GLY 239.A O no hydrogen 2.742 N/A LEU 244.A N VAL 240.A O no hydrogen 2.967 N/A THR 247.A N TYR 130.A O no hydrogen 2.835 N/A TYR 249.A N TYR 222.A O no hydrogen 3.151 N/A TYR 249.A OH ALA 126.A O no hydrogen 2.653 N/A ILE 251.A N ASP 220.A O no hydrogen 2.810 N/A ARG 252.A N ARG 138.A O no hydrogen 2.849 N/A LEU 257.A N ILE 215.A O no hydrogen 2.855 N/A ILE 259.A N GLY 213.A O no hydrogen 2.909 N/A GLU 261.A N TYR 211.A O no hydrogen 2.919 N/A GLY 263.A N TRP 209.A O no hydrogen 2.911 N/A LYS 264.A NZ ASP 206.A O no hydrogen 2.838 N/A LYS 264.A NZ LYS 265.A O no hydrogen 3.128 N/A LYS 265.A N GLY 207.A O no hydrogen 2.800 N/A LYS 265.A NZ LEU 161.A O no hydrogen 2.692 N/A