Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s4y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 105.A OD2 no hydrogen 2.823 N/A TYR 4.A OH LEU 20.A O no hydrogen 2.616 N/A CYS 5.A N VAL 106.A O no hydrogen 3.396 N/A LEU 6.A N LEU 26.A O no hydrogen 2.905 N/A VAL 7.A N VAL 108.A O no hydrogen 2.889 N/A ILE 8.A N ALA 28.A O no hydrogen 2.832 N/A LEU 9.A N LEU 110.A O no hydrogen 2.827 N/A GLN 11.A N LEU 9.A O no hydrogen 2.837 N/A GLN 11.A NE2 ASN 10.A O no hydrogen 3.102 N/A TYR 16.A OH GLU 143.A O no hydrogen 2.718 N/A PHE 17.A N ASP 14.A O no hydrogen 2.959 N/A ARG 18.A N ASN 15.A O no hydrogen 3.416 N/A ARG 18.A NE GLU 44.A OE2 no hydrogen 2.803 N/A ARG 18.A NH1 ASN 15.A O no hydrogen 3.366 N/A ARG 18.A NH1 ASN 15.A OD1 no hydrogen 3.387 N/A ARG 18.A NH2 GLU 44.A OE2 no hydrogen 3.024 N/A HIS 19.A N TYR 16.A O no hydrogen 3.241 N/A TRP 21.A N PHE 17.A O no hydrogen 2.840 N/A ASN 22.A N ARG 18.A O no hydrogen 3.075 N/A ALA 24.A N LEU 20.A O no hydrogen 3.236 N/A ALA 24.A N TRP 21.A O no hydrogen 3.356 N/A LEU 25.A N TYR 4.A O no hydrogen 2.829 N/A ARG 27.A N GLU 51.A OE1 no hydrogen 2.700 N/A ARG 27.A NE TRP 21.A O no hydrogen 2.870 N/A ARG 27.A NH2 TRP 21.A O no hydrogen 2.822 N/A ALA 28.A N LEU 6.A O no hydrogen 2.868 N/A CYS 29.A N PHE 52.A O no hydrogen 2.991 N/A ALA 30.A N ILE 8.A O no hydrogen 2.923 N/A ASP 31.A N ASN 54.A O no hydrogen 2.706 N/A GLY 33.A N ALA 30.A O no hydrogen 2.880 N/A ALA 34.A N ASP 31.A O no hydrogen 2.905 N/A ASN 35.A N GLY 32.A O no hydrogen 2.857 N/A ASN 35.A ND2 SER 59.A O no hydrogen 2.973 N/A ARG 36.A N GLY 32.A O no hydrogen 3.317 N/A ARG 36.A NE ASN 10.A OD1 no hydrogen 2.809 N/A ARG 36.A NH2 ASN 10.A O no hydrogen 3.225 N/A ARG 36.A NH2 ASN 10.A OD1 no hydrogen 3.366 N/A LEU 37.A N GLY 33.A O no hydrogen 3.106 N/A TYR 38.A N ALA 34.A O no hydrogen 2.920 N/A ASP 39.A N ASN 35.A O no hydrogen 2.902 N/A ILE 40.A N ARG 36.A O no hydrogen 3.110 N/A THR 41.A N LEU 37.A O no hydrogen 3.007 N/A THR 41.A OG1 LEU 37.A O no hydrogen 2.669 N/A GLU 44.A N THR 41.A O no hydrogen 2.847 N/A ARG 45.A NE TYR 38.A O no hydrogen 2.760 N/A ARG 45.A NH2 TYR 38.A O no hydrogen 3.438 N/A SER 47.A N GLU 44.A O no hydrogen 2.993 N/A PHE 48.A N ARG 45.A O no hydrogen 2.907 N/A GLU 51.A N ARG 27.A O no hydrogen 2.957 N/A ILE 53.A N GLU 74.A O no hydrogen 2.817 N/A ASN 54.A N CYS 29.A O no hydrogen 3.092 N/A ASN 54.A ND2 THR 78.A OG1 no hydrogen 3.118 N/A ASN 54.A ND2 ASP 85.A O no hydrogen 3.347 N/A GLY 55.A N ILE 76.A O no hydrogen 3.171 N/A ASP 56.A N ASP 85.A OD1 no hydrogen 3.070 N/A ASP 56.A N ASP 85.A OD2 no hydrogen 3.427 N/A ASP 58.A N ASP 56.A OD1 no hydrogen 3.384 N/A SER 59.A N ASP 31.A OD2 no hydrogen 3.146 N/A SER 59.A OG ASP 58.A OD1 no hydrogen 3.311 N/A ILE 60.A N ASP 31.A OD1 no hydrogen 2.872 N/A ARG 61.A N ASN 35.A OD1 no hydrogen 2.856 N/A ARG 61.A NE GLU 63.A OE2 no hydrogen 2.883 N/A ARG 61.A NH1 ASP 39.A OD2 no hydrogen 2.937 N/A ARG 61.A NH2 ASP 39.A OD1 no hydrogen 2.854 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.800 N/A ARG 65.A N ARG 61.A O no hydrogen 2.973 N/A GLU 66.A N PRO 62.A O no hydrogen 2.824 N/A TYR 67.A N GLU 63.A O no hydrogen 2.888 N/A TYR 68.A N VAL 64.A O no hydrogen 3.053 N/A ALA 69.A N ARG 65.A O no hydrogen 3.029 N/A THR 70.A N GLU 66.A O no hydrogen 2.982 N/A THR 70.A OG1 GLU 66.A O no hydrogen 2.773 N/A LYS 71.A N TYR 67.A O no hydrogen 3.010 N/A LYS 71.A NZ GLU 46.A OE2 no hydrogen 3.268 N/A GLY 72.A N ALA 69.A O no hydrogen 3.033 N/A CYS 73.A N TYR 68.A O no hydrogen 3.020 N/A CYS 73.A SG PRO 50.A O no hydrogen 3.243 N/A CYS 73.A SG TYR 68.A O no hydrogen 3.430 N/A GLU 74.A N GLU 51.A O no hydrogen 3.119 N/A ILE 76.A N ILE 53.A O no hydrogen 2.827 N/A THR 78.A N GLY 55.A O no hydrogen 2.804 N/A GLN 81.A NE2 ASP 56.A OD2 no hydrogen 3.126 N/A GLN 81.A NE2 PRO 79.A O no hydrogen 3.113 N/A ASP 82.A N ASP 80.A OD1 no hydrogen 3.361 N/A HIS 83.A ND1 ASP 80.A OD2 no hydrogen 2.505 N/A THR 84.A OG1 THR 87.A OG1 no hydrogen 3.300 N/A THR 87.A N THR 84.A OG1 no hydrogen 3.145 N/A THR 87.A OG1 THR 84.A OG1 no hydrogen 3.300 N/A THR 87.A OG1 THR 126.A OG1 no hydrogen 2.976 N/A THR 87.A OG1 GLN 129.A OE1.A no hydrogen 2.723 N/A LYS 88.A N THR 84.A O no hydrogen 2.961 N/A LYS 88.A NZ THR 78.A O no hydrogen 2.574 N/A LYS 88.A NZ ASP 80.A O no hydrogen 2.606 N/A LYS 88.A NZ HIS 83.A O no hydrogen 3.199 N/A CYS 89.A N ASP 85.A O no hydrogen 2.835 N/A LEU 90.A N PHE 86.A O no hydrogen 3.092 N/A LYS 91.A N THR 87.A O no hydrogen 3.204 N/A MET 92.A N LYS 88.A O no hydrogen 3.052 N/A LEU 93.A N CYS 89.A O no hydrogen 2.732 N/A GLN 94.A N LEU 90.A O no hydrogen 2.868 N/A GLN 94.A NE2 GLU 98.A OE1 no hydrogen 2.856 N/A LYS 95.A N LYS 91.A O no hydrogen 3.287 N/A LYS 95.A NZ GLU 99.A OE1 no hydrogen 3.310 N/A LYS 96.A N MET 92.A O no hydrogen 3.170 N/A LYS 96.A NZ GLU 74.A OE1 no hydrogen 3.510 N/A LYS 96.A NZ GLU 74.A OE2 no hydrogen 2.951 N/A ILE 97.A N LEU 93.A O no hydrogen 2.956 N/A GLU 98.A N GLN 94.A O no hydrogen 2.985 N/A GLU 99.A N LYS 95.A O no hydrogen 2.952 N/A LYS 100.A N LYS 96.A O no hydrogen 3.099 N/A ASP 101.A N GLU 98.A O no hydrogen 3.250 N/A LEU 102.A N ILE 97.A O no hydrogen 3.088 N/A VAL 104.A N LEU 102.A O no hydrogen 3.155 N/A ASP 105.A N LYS 3.A O no hydrogen 2.800 N/A VAL 106.A N LYS 3.A O no hydrogen 3.241 N/A ILE 107.A N PRO 137.A O no hydrogen 2.827 N/A VAL 108.A N CYS 5.A O no hydrogen 2.873 N/A THR 109.A N ILE 139.A O no hydrogen 2.874 N/A LEU 110.A N VAL 7.A O no hydrogen 2.716 N/A GLY 111.A N ILE 141.A O no hydrogen 2.862 N/A LEU 113.A N GLN 142.A OE1 no hydrogen 2.872 N/A ARG 116.A NE.A ASP 118.A OD1 no hydrogen 3.028 N/A ARG 116.A NE.B ASP 118.A OD1 no hydrogen 2.909 N/A ARG 116.A NH1.B ASP 118.A OD1 no hydrogen 3.543 N/A ARG 116.A NH1.B ASP 118.A OD2 no hydrogen 2.887 N/A ARG 116.A NH2.A ASP 118.A OD1 no hydrogen 3.216 N/A ARG 116.A NH2.A ASP 118.A OD2 no hydrogen 2.723 N/A ILE 120.A N ARG 116.A O no hydrogen 3.192 N/A MET 121.A N PHE 117.A O no hydrogen 3.163 N/A ALA 122.A N ASP 118.A O no hydrogen 2.853 N/A SER 123.A N GLN 119.A O no hydrogen 2.989 N/A SER 123.A OG GLY 112.A O no hydrogen 2.878 N/A SER 123.A OG GLN 119.A O no hydrogen 3.109 N/A VAL 124.A N ILE 120.A O no hydrogen 3.132 N/A ASN 125.A N MET 121.A O no hydrogen 2.921 N/A THR 126.A N ALA 122.A O no hydrogen 2.931 N/A THR 126.A OG1 THR 87.A OG1 no hydrogen 2.976 N/A THR 126.A OG1 ALA 122.A O no hydrogen 3.082 N/A LEU 127.A N SER 123.A O no hydrogen 3.373 N/A LEU 127.A N VAL 124.A O no hydrogen 3.028 N/A GLN 129.A N ASN 125.A O no hydrogen 2.948 N/A ALA 130.A N THR 126.A O no hydrogen 2.667 N/A THR 131.A OG1 PHE 128.A O no hydrogen 3.274 N/A HIS 132.A N GLN 129.A O no hydrogen 3.122 N/A HIS 132.A NE2.A GLN 129.A OE1.B no hydrogen 3.150 N/A ILE 133.A N ALA 130.A O no hydrogen 2.915 N/A THR 134.A N ALA 130.A O no hydrogen 2.961 N/A THR 134.A OG1 GLN 94.A OE1 no hydrogen 2.630 N/A PHE 136.A N THR 134.A OG1 no hydrogen 3.332 N/A ILE 139.A N ILE 107.A O no hydrogen 3.029 N/A ILE 140.A N ILE 147.A O no hydrogen 3.119 N/A ILE 141.A N THR 109.A O no hydrogen 2.857 N/A GLN 142.A N SER 145.A O no hydrogen 2.907 N/A GLN 142.A NE2 GLN 11.A OE1 no hydrogen 3.012 N/A GLU 143.A N ASP 14.A OD2 no hydrogen 2.795 N/A SER 145.A N GLN 142.A O no hydrogen 2.994 N/A LEU 146.A N MET 221.A O no hydrogen 2.943 N/A ILE 147.A N ILE 140.A O no hydrogen 2.845 N/A TYR 148.A N TRP 219.A O no hydrogen 2.899 N/A LEU 150.A N LEU 217.A O no hydrogen 2.804 N/A GLY 153.A N THR 213.A O no hydrogen 2.870 N/A HIS 155.A N VAL 211.A O no hydrogen 2.749 N/A HIS 155.A NE2 GLN 151.A O no hydrogen 2.631 N/A LEU 157.A N VAL 209.A O no hydrogen 2.717 N/A VAL 159.A N GLY 207.A O no hydrogen 3.242 N/A GLY 162.A N ALA 222.A O no hydrogen 2.981 N/A CYS 165.A N ASN 201.A O no hydrogen 2.973 N/A GLY 166.A N THR 220.A O no hydrogen 2.882 N/A LEU 167.A N SER 198.A O no hydrogen 2.926 N/A ILE 168.A N LEU 218.A O no hydrogen 2.852 N/A VAL 170.A N.A ILE 168.A O no hydrogen 2.860 N/A VAL 170.A N.B ILE 168.A O no hydrogen 3.001 N/A CYS 174.A N LEU 191.A O no hydrogen 2.819 N/A CYS 174.A SG THR 213.A OG1 no hydrogen 3.547 N/A CYS 174.A SG HIS 215.A O no hydrogen 3.547 N/A CYS 174.A SG PRO 216.A O no hydrogen 3.647 N/A MET 175.A N ASP 214.A OD2 no hydrogen 2.918 N/A GLN 176.A N ASP 214.A OD1 no hydrogen 3.184 N/A VAL 177.A N ASP 189.A O no hydrogen 2.786 N/A THR 178.A N GLU 212.A O no hydrogen 3.012 N/A THR 179.A N LEU 186.A O no hydrogen 2.835 N/A THR 179.A OG1 ASN 185.A OD1 no hydrogen 2.808 N/A THR 180.A N THR 210.A O no hydrogen 3.070 N/A THR 180.A OG1 THR 210.A OG1 no hydrogen 2.514 N/A LEU 182.A N ASN 185.A OD1 no hydrogen 3.027 N/A LYS 183.A N THR 202.A O no hydrogen 2.815 N/A TRP 184.A N ASN 201.A OD1 no hydrogen 3.138 N/A LEU 186.A N THR 179.A OG1 no hydrogen 2.949 N/A THR 187.A N ASP 189.A OD2 no hydrogen 2.776 N/A ASN 188.A N THR 178.A OG1 no hydrogen 3.004 N/A ASP 189.A N VAL 177.A O no hydrogen 2.960 N/A LEU 191.A N CYS 174.A O no hydrogen 2.811 N/A ALA 192.A N LEU 196.A O no hydrogen 2.913 N/A THR 195.A N ALA 192.A O no hydrogen 2.898 N/A LEU 196.A N ALA 192.A O no hydrogen 2.846 N/A SER 198.A N LEU 167.A O no hydrogen 3.196 N/A ASN 201.A N CYS 165.A O no hydrogen 2.922 N/A ASN 201.A ND2 TRP 184.A O no hydrogen 2.958 N/A ASN 201.A ND2 SER 198.A OG no hydrogen 2.944 N/A THR 202.A N ASN 201.A OD1 no hydrogen 2.912 N/A THR 202.A OG1 ASP 163.A O no hydrogen 2.594 N/A ASP 204.A N GLY 181.A O no hydrogen 2.964 N/A SER 206.A N ASP 204.A OD1 no hydrogen 3.036 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 2.614 N/A SER 206.A OG ASP 204.A OD2 no hydrogen 3.457 N/A VAL 209.A N LEU 157.A O no hydrogen 2.763 N/A THR 210.A N THR 180.A O no hydrogen 3.000 N/A THR 210.A OG1 THR 180.A OG1 no hydrogen 2.514 N/A VAL 211.A N HIS 155.A O no hydrogen 2.976 N/A GLU 212.A N THR 178.A O no hydrogen 2.849 N/A THR 213.A N GLY 153.A O no hydrogen 3.053 N/A THR 213.A OG1 HIS 215.A O no hydrogen 2.651 N/A ASP 214.A N ASP 214.A OD1 no hydrogen 2.638 N/A HIS 215.A N THR 213.A OG1 no hydrogen 3.364 N/A LEU 217.A N LEU 150.A O no hydrogen 2.890 N/A LEU 218.A N ILE 168.A O no hydrogen 2.965 N/A TRP 219.A N TYR 148.A O no hydrogen 2.848 N/A THR 220.A N GLY 166.A O no hydrogen 3.086 N/A THR 220.A OG1 LEU 146.A O no hydrogen 2.888 N/A MET 221.A N LEU 146.A O no hydrogen 3.072 N/A ALA 222.A N TRP 164.A O no hydrogen 2.904 N/A ILE 223.A N GLU 144.A O no hydrogen 2.832 N/A LYS 224.A N MET 160.A O no hydrogen 2.799 N/A