Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4y96_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 228.A OD1 no hydrogen 2.829 N/A ARG 2.A NE ASP 228.A OD2 no hydrogen 3.016 N/A ARG 2.A NH1 ASP 203.A O no hydrogen 3.020 N/A ARG 2.A NH2 ASP 228.A OD1 no hydrogen 3.554 N/A LYS 3.A NZ ASP 33.A O no hydrogen 2.753 N/A LYS 3.A NZ ASP 33.A OD2 no hydrogen 2.879 N/A LYS 4.A NZ VAL 227.A O no hydrogen 3.487 N/A PHE 5.A N ASP 228.A O no hydrogen 2.957 N/A VAL 6.A N THR 36.A O no hydrogen 2.814 N/A ALA 7.A N ALA 230.A O no hydrogen 2.876 N/A GLY 8.A N ALA 38.A O no hydrogen 2.854 N/A ASN 9.A N VAL 232.A O no hydrogen 2.764 N/A TRP 10.A N PHE 40.A O no hydrogen 3.232 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 3.041 N/A LYS 11.A NZ GLU 96.A OE2 no hydrogen 2.700 N/A ASN 13.A ND2 TRP 10.A O no hydrogen 2.922 N/A THR 14.A OG1 ASN 13.A O no hydrogen 2.535 N/A THR 15.A N GLU 18.A OE1 no hydrogen 2.986 N/A GLU 18.A N THR 15.A OG1 no hydrogen 3.219 N/A ALA 19.A N THR 15.A O no hydrogen 2.824 N/A LYS 20.A N LEU 16.A O no hydrogen 3.013 N/A ALA 21.A N ALA 17.A O no hydrogen 2.977 N/A LEU 22.A N GLU 18.A O no hydrogen 2.872 N/A GLY 23.A N ALA 19.A O no hydrogen 2.950 N/A ALA 24.A N LYS 20.A O no hydrogen 2.916 N/A ALA 25.A N ALA 21.A O no hydrogen 2.924 N/A VAL 26.A N LEU 22.A O no hydrogen 2.991 N/A ALA 27.A N GLY 23.A O no hydrogen 2.909 N/A LYS 28.A N ALA 24.A O no hydrogen 3.016 N/A GLY 29.A N VAL 26.A O no hydrogen 3.049 N/A VAL 30.A N ALA 27.A O no hydrogen 3.277 N/A ARG 34.A N ASP 32.A OD1 no hydrogen 2.912 N/A THR 36.A N LYS 4.A O no hydrogen 2.869 N/A ALA 38.A N VAL 6.A O no hydrogen 3.073 N/A VAL 39.A N ALA 59.A O no hydrogen 2.962 N/A PHE 40.A N GLY 8.A O no hydrogen 2.795 N/A TRP 45.A N PRO 42.A O no hydrogen 3.074 N/A TRP 45.A NE1 THR 14.A O no hydrogen 2.869 N/A LEU 46.A N TYR 43.A O no hydrogen 3.171 N/A VAL 49.A N TRP 45.A O no hydrogen 2.908 N/A GLY 50.A N LEU 46.A O no hydrogen 2.862 N/A GLU 51.A N THR 47.A O no hydrogen 3.101 N/A VAL 52.A N ALA 48.A O no hydrogen 3.447 N/A LEU 53.A N VAL 49.A O no hydrogen 3.083 N/A LEU 53.A N GLY 50.A O no hydrogen 3.280 N/A LYS 54.A N GLU 51.A O no hydrogen 3.290 N/A SER 56.A N LEU 53.A O no hydrogen 3.032 N/A SER 56.A OG LEU 53.A O no hydrogen 2.671 N/A VAL 58.A N SER 56.A OG no hydrogen 3.194 N/A ALA 59.A N VAL 37.A O no hydrogen 2.865 N/A GLY 61.A N VAL 39.A O no hydrogen 2.858 N/A ALA 62.A N TYR 89.A O no hydrogen 2.978 N/A GLN 63.A NE2 LYS 11.A O no hydrogen 2.933 N/A GLN 63.A NE2 PHE 40.A O no hydrogen 2.905 N/A SER 66.A N VAL 77.A O no hydrogen 2.899 N/A SER 66.A OG GLU 68.A O no hydrogen 3.358 N/A GLU 68.A N SER 66.A OG no hydrogen 2.950 N/A LYS 69.A NZ GLU 117.A OE1 no hydrogen 2.751 N/A PHE 73.A N GLY 71.A O no hydrogen 2.861 N/A GLU 76.A N PHE 73.A O no hydrogen 3.022 N/A MET 81.A N SER 78.A OG no hydrogen 3.126 N/A LEU 82.A N SER 78.A O no hydrogen 3.063 N/A LEU 83.A N PRO 79.A O no hydrogen 2.817 N/A GLU 84.A N ALA 80.A O no hydrogen 2.988 N/A THR 85.A N MET 81.A O no hydrogen 3.048 N/A THR 85.A OG1 LEU 82.A O no hydrogen 2.710 N/A GLY 86.A N LEU 83.A O no hydrogen 3.019 N/A CYS 87.A N LEU 82.A O no hydrogen 2.997 N/A CYS 87.A SG THR 85.A OG1 no hydrogen 3.487 N/A LYS 88.A N LEU 60.A O no hydrogen 2.844 N/A TYR 89.A N LEU 60.A O no hydrogen 3.434 N/A ALA 90.A N SER 121.A O no hydrogen 3.005 N/A LEU 91.A N ALA 62.A O no hydrogen 2.853 N/A ILE 92.A N VAL 123.A O no hydrogen 2.923 N/A SER 95.A N GLU 166.A OE2 no hydrogen 2.777 N/A GLU 96.A N HIS 94.A ND1 no hydrogen 3.059 N/A ARG 97.A N HIS 94.A O no hydrogen 2.800 N/A ARG 97.A NE GLU 103.A OE2 no hydrogen 2.829 N/A ARG 98.A N HIS 94.A O no hydrogen 2.883 N/A ARG 98.A NE GLY 93.A O no hydrogen 2.883 N/A ARG 98.A NH1 GLU 105.A OE2 no hydrogen 3.053 N/A ARG 98.A NH2 CYS 125.A O no hydrogen 2.829 N/A HIS 99.A N SER 95.A O no hydrogen 2.874 N/A ILE 100.A N GLU 96.A O no hydrogen 3.056 N/A ILE 101.A N GLU 96.A O no hydrogen 3.076 N/A GLY 102.A N ARG 97.A O no hydrogen 2.798 N/A GLU 103.A N ARG 97.A O no hydrogen 2.999 N/A PHE 107.A N SER 104.A OG no hydrogen 3.185 N/A ILE 108.A N SER 104.A O no hydrogen 2.909 N/A ASN 109.A N GLU 105.A O no hydrogen 2.878 N/A ASN 109.A ND2 ALA 149.A O no hydrogen 3.008 N/A ASN 109.A ND2 ALA 151.A O no hydrogen 3.109 N/A HIS 110.A N THR 106.A O no hydrogen 3.039 N/A LYS 111.A N PHE 107.A O no hydrogen 2.883 N/A LYS 111.A NZ ASP 64.A OD1 no hydrogen 2.839 N/A LYS 111.A NZ ASP 64.A OD2 no hydrogen 3.437 N/A LYS 111.A NZ VAL 65.A O no hydrogen 3.001 N/A LYS 111.A NZ GLU 103.A OE2 no hydrogen 3.225 N/A VAL 112.A N ILE 108.A O no hydrogen 2.937 N/A HIS 113.A N ASN 109.A O no hydrogen 3.221 N/A HIS 113.A NE2 ALA 151.A O no hydrogen 2.767 N/A THR 114.A N HIS 110.A O no hydrogen 2.884 N/A THR 114.A OG1 SER 67.A O no hydrogen 2.643 N/A THR 114.A OG1 HIS 110.A O no hydrogen 3.231 N/A ALA 115.A N LYS 111.A O no hydrogen 2.826 N/A LEU 116.A N VAL 112.A O no hydrogen 3.032 N/A GLU 117.A N HIS 113.A O no hydrogen 2.803 N/A GLU 118.A N THR 114.A O no hydrogen 3.109 N/A GLY 119.A N ALA 115.A O no hydrogen 3.221 N/A GLY 119.A N LEU 116.A O no hydrogen 3.148 N/A LEU 120.A N ALA 115.A O no hydrogen 2.996 N/A SER 121.A N LYS 88.A O no hydrogen 2.826 N/A VAL 122.A N ARG 160.A O no hydrogen 2.921 N/A VAL 123.A N ALA 90.A O no hydrogen 2.959 N/A LEU 124.A N VAL 162.A O no hydrogen 2.818 N/A CYS 125.A N ILE 92.A O no hydrogen 2.840 N/A CYS 125.A SG VAL 123.A O no hydrogen 4.043 N/A MET 126.A N ALA 164.A O no hydrogen 2.905 N/A GLY 127.A N GLN 145.A OE1 no hydrogen 2.841 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.748 N/A THR 129.A N GLU 132.A OE1 no hydrogen 2.897 N/A GLU 132.A N THR 129.A OG1 no hydrogen 3.127 N/A ARG 133.A N THR 129.A O no hydrogen 2.895 N/A ARG 133.A NH1 GLU 128.A OE2 no hydrogen 2.783 N/A GLU 134.A N LEU 130.A O no hydrogen 2.843 N/A ARG 135.A N ALA 131.A O no hydrogen 3.290 N/A ARG 135.A N GLU 132.A O no hydrogen 3.269 N/A ARG 135.A NH1 ALA 131.A O no hydrogen 3.169 N/A GLY 136.A N ARG 133.A O no hydrogen 2.969 N/A LEU 137.A N GLU 132.A O no hydrogen 2.834 N/A GLN 138.A N GLN 138.A OE1 no hydrogen 2.789 N/A VAL 141.A N LEU 137.A O no hydrogen 3.038 N/A PHE 142.A N GLN 138.A O no hydrogen 2.853 N/A GLN 143.A N GLU 139.A O no hydrogen 3.082 N/A ARG 144.A N ARG 140.A O no hydrogen 2.970 N/A ARG 144.A NH1.B GLU 105.A OE2 no hydrogen 3.323 N/A GLN 145.A N VAL 141.A O no hydrogen 2.866 N/A GLN 145.A NE2 GLY 127.A O no hydrogen 3.210 N/A VAL 146.A N PHE 142.A O no hydrogen 2.939 N/A TYR 147.A N GLN 143.A O no hydrogen 2.963 N/A TYR 147.A OH LYS 192.A O no hydrogen 2.706 N/A ALA 148.A N ARG 144.A O no hydrogen 2.954 N/A ALA 149.A N GLN 145.A O no hydrogen 3.054 N/A CYS 150.A N VAL 146.A O no hydrogen 3.024 N/A CYS 150.A SG VAL 146.A O no hydrogen 3.373 N/A ALA 151.A N ALA 148.A O no hydrogen 3.403 N/A LEU 153.A N CYS 150.A O no hydrogen 2.960 N/A THR 154.A N GLN 157.A OE1 no hydrogen 2.914 N/A THR 154.A OG1 GLN 157.A OE1 no hydrogen 3.398 N/A GLN 157.A N THR 154.A OG1 no hydrogen 3.077 N/A PHE 158.A N ASP 155.A O no hydrogen 3.171 N/A GLY 159.A N GLU 156.A O no hydrogen 3.084 N/A ARG 160.A N GLN 157.A O no hydrogen 3.077 N/A ARG 160.A NH1 LEU 116.A O no hydrogen 2.850 N/A ARG 160.A NH2 LEU 116.A O no hydrogen 3.257 N/A ILE 161.A N PHE 158.A O no hydrogen 3.136 N/A VAL 162.A N VAL 122.A O no hydrogen 2.913 N/A ILE 163.A N PRO 206.A O no hydrogen 2.982 N/A ALA 164.A N LEU 124.A O no hydrogen 2.816 N/A TYR 165.A N VAL 208.A O no hydrogen 2.830 N/A TYR 165.A OH GLU 128.A OE1 no hydrogen 2.713 N/A TYR 165.A OH GLU 128.A OE2 no hydrogen 3.203 N/A GLU 166.A N MET 126.A O no hydrogen 2.861 N/A VAL 168.A N GLU 128.A O no hydrogen 2.967 N/A ALA 170.A N PRO 167.A O no hydrogen 2.892 N/A ILE 171.A N VAL 168.A O no hydrogen 3.095 N/A THR 173.A OG1 TRP 169.A O no hydrogen 2.568 N/A LYS 175.A N THR 173.A OG1 no hydrogen 3.255 N/A ALA 177.A N TYR 209.A OH no hydrogen 2.816 N/A THR 178.A N GLN 181.A OE1 no hydrogen 2.970 N/A THR 178.A OG1 GLU 180.A OE1 no hydrogen 3.497 N/A GLN 181.A N THR 178.A OG1 no hydrogen 3.053 N/A ALA 182.A N THR 178.A O no hydrogen 2.935 N/A GLN 183.A N PRO 179.A O no hydrogen 2.873 N/A GLN 183.A NE2 ASP 226.A OD2 no hydrogen 2.780 N/A GLU 184.A N GLU 180.A O no hydrogen 3.026 N/A ALA 185.A N GLN 181.A O no hydrogen 3.166 N/A HIS 186.A N ALA 182.A O no hydrogen 2.876 N/A HIS 186.A ND1 ASP 226.A O no hydrogen 3.022 N/A ALA 187.A N GLN 183.A O no hydrogen 2.857 N/A PHE 188.A N GLU 184.A O no hydrogen 3.069 N/A VAL 189.A N ALA 185.A O no hydrogen 2.961 N/A ARG 190.A N HIS 186.A O no hydrogen 2.927 N/A ARG 190.A NE ASP 226.A OD1 no hydrogen 2.686 N/A ARG 190.A NH1 ALA 202.A O no hydrogen 2.881 N/A ARG 190.A NH1 THR 205.A O no hydrogen 2.822 N/A ARG 190.A NH2 ASP 226.A O no hydrogen 3.034 N/A ARG 190.A NH2 ASP 228.A OD2 no hydrogen 2.788 N/A SER 191.A N ALA 187.A O no hydrogen 3.001 N/A SER 191.A OG.A ALA 187.A O no hydrogen 3.112 N/A LYS 192.A N PHE 188.A O no hydrogen 2.953 N/A LEU 193.A N VAL 189.A O no hydrogen 3.107 N/A ARG 194.A N ARG 190.A O no hydrogen 2.972 N/A ARG 194.A NH1 ASP 199.A OD1 no hydrogen 2.977 N/A ARG 194.A NH1 ASP 203.A OD1 no hydrogen 3.324 N/A ARG 194.A NH1 ASP 203.A OD2 no hydrogen 2.986 N/A ARG 194.A NH2 ASP 203.A OD1 no hydrogen 2.668 N/A LEU 195.A N SER 191.A O no hydrogen 2.950 N/A LEU 196.A N LYS 192.A O no hydrogen 3.311 N/A TYR 197.A N LEU 193.A O no hydrogen 2.622 N/A GLY 198.A N ARG 194.A O no hydrogen 2.958 N/A ALA 202.A N GLY 198.A O no hydrogen 3.092 N/A ASP 203.A N ASP 199.A O no hydrogen 2.855 N/A SER 204.A N LYS 200.A O no hydrogen 3.072 N/A SER 204.A OG.A LYS 200.A O no hydrogen 2.633 N/A SER 204.A OG.B LYS 200.A O no hydrogen 2.613 N/A SER 204.A OG.B ILE 201.A O no hydrogen 3.471 N/A THR 205.A N ILE 201.A O no hydrogen 3.173 N/A THR 205.A OG1 ILE 201.A O no hydrogen 2.669 N/A ILE 207.A N ASP 228.A OD2 no hydrogen 2.825 N/A VAL 208.A N ILE 163.A O no hydrogen 2.812 N/A TYR 209.A N GLY 229.A O no hydrogen 3.046 N/A TYR 209.A OH GLY 211.A O no hydrogen 3.064 N/A GLY 210.A N TYR 165.A O no hydrogen 2.739 N/A SER 212.A OG ALA 170.A O no hydrogen 2.581 N/A THR 214.A N ASN 217.A OD1 no hydrogen 2.935 N/A ASP 216.A N THR 214.A OG1 no hydrogen 3.214 N/A ASN 217.A N THR 214.A O no hydrogen 3.017 N/A ASN 217.A N THR 214.A OG1 no hydrogen 3.323 N/A ASN 217.A ND2 SER 212.A O no hydrogen 2.987 N/A THR 218.A N THR 214.A O no hydrogen 3.177 N/A LEU 221.A N ASN 217.A O no hydrogen 3.438 N/A MET 222.A N THR 218.A O no hydrogen 2.731 N/A SER 223.A N VAL 219.A O no hydrogen 3.134 N/A SER 223.A OG GLY 220.A O no hydrogen 2.883 N/A GLN 224.A N LEU 221.A O no hydrogen 3.169 N/A ASP 226.A N GLN 183.A OE1 no hydrogen 2.846 N/A VAL 227.A N GLN 224.A O no hydrogen 3.096 N/A ASP 228.A N ILE 207.A O no hydrogen 2.852 N/A ALA 230.A N PHE 5.A O no hydrogen 2.971 N/A LEU 231.A N TYR 209.A O no hydrogen 2.834 N/A VAL 232.A N ALA 7.A O no hydrogen 2.749 N/A SER 236.A N GLY 233.A O no hydrogen 2.849 N/A SER 236.A OG ASN 9.A O no hydrogen 3.212 N/A SER 236.A OG GLY 233.A O no hydrogen 2.731 N/A LEU 237.A N GLY 234.A O no hydrogen 3.178 N/A SER 241.A OG.B ALA 235.A O no hydrogen 2.716 N/A SER 241.A OG.B LYS 238.A O no hydrogen 2.978 N/A PHE 242.A N LYS 238.A O no hydrogen 3.047 N/A LEU 243.A N ALA 239.A O no hydrogen 2.818 N/A ALA 244.A N ASP 240.A O no hydrogen 2.978 N/A ILE 245.A N SER 241.A O no hydrogen 3.305 N/A VAL 246.A N PHE 242.A O no hydrogen 3.007 N/A LYS 247.A N LEU 243.A O no hydrogen 2.839 N/A LYS 247.A NZ GLY 29.A O no hydrogen 2.755 N/A ALA 248.A N ALA 244.A O no hydrogen 3.106 N/A ALA 249.A N ILE 245.A O no hydrogen 3.232 N/A ALA 249.A N VAL 246.A O no hydrogen 3.075 N/A GLY 250.A N LYS 247.A O no hydrogen 3.224 N/A