Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a4i_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ILE 37.A O no hydrogen 2.973 N/A VAL 6.A N SER 38.A O no hydrogen 2.833 N/A VAL 7.A N ILE 69.A O no hydrogen 2.970 N/A TRP 8.A N TYR 41.A O no hydrogen 2.881 N/A TRP 8.A NE1 GLU 73.A OE1.A no hydrogen 2.783 N/A ILE 9.A N ALA 71.A O no hydrogen 2.910 N/A HIS 10.A ND1 GLU 13.A OE1.B no hydrogen 2.742 N/A HIS 10.A ND1 GLU 13.A OE2.B no hydrogen 2.647 N/A HIS 10.A NE2 ASP 42.A OD1 no hydrogen 2.966 N/A GLY 11.A N GLU 73.A O.A no hydrogen 2.852 N/A GLY 11.A N GLU 73.A O.B no hydrogen 2.916 N/A LEU 12.A N ASN 75.A O no hydrogen 2.856 N/A THR 15.A OG1 GLU 13.A OE1.A no hydrogen 2.765 N/A THR 15.A OG1 GLU 13.A OE2.A no hydrogen 3.397 N/A THR 15.A OG1 GLU 13.A OE2.B no hydrogen 2.730 N/A CYS 17.A N GLU 73.A OE2.B no hydrogen 2.819 N/A THR 18.A N GLU 73.A OE2.A no hydrogen 3.018 N/A THR 18.A N GLU 73.A OE2.B no hydrogen 3.254 N/A THR 18.A OG1 GLU 73.A OE1.A no hydrogen 2.496 N/A THR 18.A OG1 GLU 73.A OE1.B no hydrogen 2.753 N/A THR 18.A OG1 GLU 73.A OE2.A no hydrogen 3.284 N/A GLU 19.A N THR 15.A O no hydrogen 3.069 N/A SER 20.A N CYS 16.A O no hydrogen 2.775 N/A SER 20.A OG PRO 148.A O no hydrogen 2.691 N/A PHE 21.A N CYS 17.A O no hydrogen 2.940 N/A ILE 22.A N THR 18.A O no hydrogen 3.150 N/A ARG 23.A N GLU 19.A O no hydrogen 3.248 N/A ARG 23.A N SER 20.A O no hydrogen 2.900 N/A ARG 23.A NH1 GLU 19.A OE1 no hydrogen 2.730 N/A ARG 23.A NH2 GLU 19.A OE1 no hydrogen 3.244 N/A SER 24.A N PHE 21.A O no hydrogen 3.077 N/A SER 24.A OG PRO 27.A O no hydrogen 2.598 N/A SER 24.A OG ASP 151.A OD1 no hydrogen 3.213 N/A SER 24.A OG SER 154.A OG no hydrogen 2.725 N/A ALA 25.A N ASP 151.A OD1 no hydrogen 2.796 N/A VAL 32.A N LEU 28.A O no hydrogen 2.992 N/A ILE 33.A N ALA 29.A O no hydrogen 2.949 N/A LEU 34.A N LYS 30.A O no hydrogen 2.905 N/A SER 35.A N ASP 31.A O no hydrogen 2.904 N/A LEU 36.A N VAL 32.A O no hydrogen 2.980 N/A ILE 37.A N VAL 32.A O no hydrogen 3.028 N/A SER 38.A N ILE 4.A O no hydrogen 2.825 N/A SER 38.A OG ASP 40.A OD1 no hydrogen 2.570 N/A ASP 40.A N VAL 6.A O no hydrogen 2.866 N/A THR 44.A N ASP 42.A OD1 no hydrogen 3.208 N/A LEU 45.A N ASP 42.A O no hydrogen 3.201 N/A MET 46.A N ASP 42.A O no hydrogen 3.046 N/A ALA 53.A N ALA 49.A O no hydrogen 3.105 N/A GLU 54.A N GLY 50.A O no hydrogen 2.855 N/A GLU 55.A N THR 51.A O no hydrogen 2.955 N/A VAL 56.A N GLN 52.A O no hydrogen 3.102 N/A PHE 57.A N ALA 53.A O no hydrogen 2.981 N/A GLU 58.A N GLU 54.A O no hydrogen 3.004 N/A ASP 59.A N GLU 55.A O no hydrogen 2.920 N/A ILE 60.A N VAL 56.A O no hydrogen 2.904 N/A ILE 61.A N PHE 57.A O no hydrogen 3.073 N/A THR 62.A N GLU 58.A O no hydrogen 3.087 N/A THR 62.A OG1 GLU 58.A O no hydrogen 2.852 N/A THR 62.A OG1 GLU 58.A OE2.A no hydrogen 3.228 N/A GLN 63.A N ASP 59.A O no hydrogen 2.821 N/A TYR 64.A N ILE 60.A O no hydrogen 2.934 N/A ASN 65.A N THR 62.A O no hydrogen 3.313 N/A GLY 66.A N GLY 102.A O no hydrogen 2.693 N/A LYS 67.A N TYR 64.A O no hydrogen 2.800 N/A TYR 68.A OH ALA 99.A O no hydrogen 2.625 N/A ILE 69.A N PRO 5.A O no hydrogen 2.965 N/A LEU 70.A N ALA 105.A O no hydrogen 3.030 N/A ALA 71.A N VAL 7.A O no hydrogen 2.785 N/A VAL 72.A N ILE 107.A O no hydrogen 2.865 N/A GLU 73.A N.A ILE 9.A O no hydrogen 2.992 N/A GLU 73.A N.B ILE 9.A O no hydrogen 2.991 N/A ASN 75.A N LEU 12.A O no hydrogen 2.950 N/A ASN 75.A ND2 CYS 112.A O no hydrogen 2.894 N/A ASN 75.A ND2 GLY 116.A O no hydrogen 2.946 N/A LEU 78.A N GLN 127.A O no hydrogen 2.939 N/A GLY 79.A N THR 126.A O no hydrogen 2.927 N/A GLY 82.A N GLY 79.A O no hydrogen 2.808 N/A MET 83.A N GLU 80.A O no hydrogen 2.882 N/A CYS 85.A N GLY 82.A O no hydrogen 3.259 N/A SER 87.A N ARG 90.A O no hydrogen 2.828 N/A ARG 90.A N SER 87.A O no hydrogen 3.090 N/A PHE 92.A N CYS 85.A O no hydrogen 2.800 N/A GLU 94.A N PRO 91.A O no hydrogen 2.954 N/A LYS 95.A NZ TYR 41.A OH no hydrogen 2.802 N/A LYS 95.A NZ SER 87.A OG.B no hydrogen 3.300 N/A LEU 96.A N PHE 92.A O no hydrogen 2.950 N/A LYS 97.A N ILE 93.A O no hydrogen 2.915 N/A ARG 98.A N GLU 94.A O no hydrogen 3.017 N/A ARG 98.A NH1.A GLU 58.A OE1.A no hydrogen 3.147 N/A ARG 98.A NH2.A GLU 58.A OE1.A no hydrogen 3.286 N/A ARG 98.A NH2.A GLU 58.A OE2.A no hydrogen 2.880 N/A ALA 99.A N LYS 95.A O no hydrogen 2.881 N/A ALA 100.A N LEU 96.A O no hydrogen 2.797 N/A ALA 101.A N LYS 97.A O no hydrogen 3.021 N/A ALA 103.A N ALA 100.A O no hydrogen 3.086 N/A SER 104.A N TYR 68.A O no hydrogen 2.868 N/A SER 104.A OG TYR 68.A O no hydrogen 3.427 N/A ILE 106.A N PRO 139.A O no hydrogen 2.834 N/A ILE 107.A N LEU 70.A O no hydrogen 2.826 N/A ALA 108.A N ILE 141.A O no hydrogen 2.841 N/A TRP 109.A N VAL 72.A O no hydrogen 2.902 N/A GLY 110.A N VAL 143.A O no hydrogen 2.777 N/A THR 111.A N GLY 145.A O no hydrogen 2.902 N/A THR 111.A OG1 CYS 249.A O no hydrogen 2.755 N/A SER 114.A N GLY 110.A O no hydrogen 2.982 N/A SER 114.A OG ALA 108.A O no hydrogen 3.425 N/A SER 114.A OG GLY 110.A O no hydrogen 2.878 N/A TRP 115.A N THR 111.A O no hydrogen 2.801 N/A GLY 116.A N THR 111.A O no hydrogen 2.892 N/A GLN 119.A N GLN 119.A OE1 no hydrogen 2.743 N/A GLN 119.A NE2 ASN 75.A OD1 no hydrogen 2.997 N/A ALA 120.A N CYS 117.A O no hydrogen 2.931 N/A ALA 121.A N VAL 118.A O no hydrogen 2.973 N/A ARG 122.A N ASP 256.A OD1 no hydrogen 3.429 N/A ARG 122.A N ASP 256.A OD2 no hydrogen 2.883 N/A ASN 124.A N ALA 121.A O no hydrogen 2.746 N/A ASN 124.A ND2 ALA 128.A O no hydrogen 3.094 N/A GLN 127.A N ASN 124.A O no hydrogen 3.147 N/A ALA 128.A N ASN 124.A OD1 no hydrogen 2.864 N/A THR 129.A N PRO 76.A O no hydrogen 2.967 N/A THR 129.A OG1 GLN 127.A O no hydrogen 2.832 N/A ILE 131.A N ALA 113.A O no hydrogen 3.109 N/A LYS 133.A N PRO 130.A O no hydrogen 3.095 N/A VAL 134.A N ILE 131.A O no hydrogen 2.982 N/A ILE 135.A N ILE 131.A O no hydrogen 2.863 N/A LYS 138.A NZ ALA 101.A O no hydrogen 3.189 N/A LYS 138.A NZ ALA 103.A O no hydrogen 2.768 N/A ILE 141.A N ILE 106.A O no hydrogen 2.850 N/A LYS 142.A N GLY 173.A O no hydrogen 2.845 N/A LYS 142.A NZ ASP 132.A OD2 no hydrogen 2.868 N/A LYS 142.A NZ MET 172.A O no hydrogen 2.820 N/A VAL 143.A N ALA 108.A O no hydrogen 2.943 N/A GLY 145.A N THR 111.A OG1 no hydrogen 2.839 N/A MET 153.A N ILE 149.A O no hydrogen 2.996 N/A SER 154.A N PRO 150.A O no hydrogen 3.065 N/A SER 154.A OG SER 24.A OG no hydrogen 2.725 N/A SER 154.A OG PRO 150.A O no hydrogen 3.528 N/A SER 154.A OG ASP 151.A O no hydrogen 3.380 N/A ALA 155.A N ASP 151.A O no hydrogen 2.979 N/A ILE 156.A N VAL 152.A O no hydrogen 2.902 N/A ILE 157.A N MET 153.A O no hydrogen 3.110 N/A THR 158.A N SER 154.A O no hydrogen 2.882 N/A THR 158.A OG1 SER 154.A O no hydrogen 3.391 N/A THR 158.A OG1 ALA 155.A O no hydrogen 3.099 N/A TYR 159.A N ALA 155.A O no hydrogen 2.873 N/A MET 160.A N ILE 156.A O no hydrogen 3.057 N/A VAL 161.A N ILE 157.A O no hydrogen 2.976 N/A THR 162.A N THR 158.A O no hydrogen 2.838 N/A THR 162.A OG1 THR 158.A O no hydrogen 2.959 N/A PHE 163.A N TYR 159.A O no hydrogen 2.861 N/A ASP 170.A N ARG 174.A O no hydrogen 2.900 N/A MET 172.A N ASP 170.A OD1 no hydrogen 2.852 N/A GLY 173.A N ASP 170.A O no hydrogen 3.009 N/A ARG 174.A N ASP 170.A OD1 no hydrogen 2.961 N/A ARG 174.A NE ASP 170.A OD2 no hydrogen 2.797 N/A ARG 174.A NH1 GLU 251.A OE2 no hydrogen 3.015 N/A ARG 174.A NH2 ASP 170.A OD2 no hydrogen 3.251 N/A LEU 176.A N ASP 168.A O no hydrogen 2.986 N/A PHE 178.A N PRO 175.A O no hydrogen 3.295 N/A TYR 179.A N PRO 175.A O no hydrogen 2.989 N/A TYR 179.A OH PRO 144.A O no hydrogen 2.627 N/A ARG 182.A NH1 ASP 185.A OD2 no hydrogen 2.874 N/A ILE 183.A N THR 223.A O no hydrogen 2.798 N/A HIS 184.A N GLY 220.A O no hydrogen 3.297 N/A ASP 185.A N ARG 182.A O no hydrogen 3.016 N/A LYS 186.A N ILE 183.A O no hydrogen 3.119 N/A LYS 186.A NZ GLN 181.A OE1 no hydrogen 2.772 N/A ARG 189.A NE TYR 188.A OH no hydrogen 3.162 N/A ARG 189.A NH1 TYR 211.A O no hydrogen 2.924 N/A ARG 189.A NH2 TYR 188.A OH no hydrogen 3.097 N/A ARG 190.A N CYS 187.A O no hydrogen 3.010 N/A ARG 190.A NE ASP 194.A OD1 no hydrogen 2.938 N/A ARG 190.A NH1 HIS 184.A O no hydrogen 3.055 N/A ARG 190.A NH1 ASP 185.A OD1 no hydrogen 3.209 N/A HIS 192.A N ARG 189.A O no hydrogen 2.901 N/A HIS 192.A ND1 GLU 197.A OE1 no hydrogen 2.850 N/A PHE 193.A N ARG 189.A O no hydrogen 3.233 N/A ASP 194.A N ARG 190.A O no hydrogen 2.906 N/A ALA 195.A N ALA 191.A O no hydrogen 3.094 N/A GLY 196.A N PHE 193.A O no hydrogen 3.159 N/A GLU 197.A N HIS 192.A O no hydrogen 2.822 N/A VAL 199.A N CYS 212.A O no hydrogen 2.961 N/A GLN 200.A N ASP 204.A OD2 no hydrogen 2.891 N/A SER 201.A N ASP 204.A OD2 no hydrogen 3.071 N/A ASP 204.A N SER 201.A O no hydrogen 3.198 N/A ALA 207.A N ASP 204.A OD1 no hydrogen 2.817 N/A ARG 208.A N ASP 204.A O no hydrogen 3.120 N/A ARG 208.A NE ASP 203.A OD1 no hydrogen 2.821 N/A ARG 208.A NH2 ASP 203.A OD1 no hydrogen 3.328 N/A ARG 208.A NH2 ASP 203.A OD2 no hydrogen 3.028 N/A LYS 209.A N ALA 206.A O no hydrogen 3.066 N/A LYS 209.A NZ TYR 211.A OH no hydrogen 3.010 N/A GLY 210.A N ALA 207.A O no hydrogen 3.184 N/A TYR 211.A N ALA 206.A O no hydrogen 3.041 N/A CYS 212.A N GLU 197.A O no hydrogen 3.177 N/A MET 216.A N LEU 213.A O no hydrogen 2.921 N/A GLY 217.A N TYR 214.A O no hydrogen 3.029 N/A CYS 218.A N LEU 213.A O no hydrogen 3.185 N/A LYS 219.A N CYS 246.A O no hydrogen 2.852 N/A LYS 219.A NZ GLY 217.A O no hydrogen 2.833 N/A LYS 219.A NZ SER 259.A O no hydrogen 3.257 N/A LYS 219.A NZ SER 262.A O no hydrogen 2.759 N/A THR 222.A N LYS 219.A O no hydrogen 3.057 N/A THR 222.A OG1 LYS 219.A O no hydrogen 3.353 N/A THR 223.A N GLY 220.A O no hydrogen 3.285 N/A THR 223.A OG1 LYS 219.A O no hydrogen 2.714 N/A TYR 224.A N GLU 251.A OE2 no hydrogen 2.890 N/A ALA 226.A N ASN 225.A OD1 no hydrogen 2.763 N/A SER 228.A OG ILE 183.A O no hydrogen 2.910 N/A SER 229.A N ALA 226.A O no hydrogen 3.118 N/A SER 229.A OG.B ALA 226.A O no hydrogen 3.148 N/A THR 230.A N ALA 226.A O no hydrogen 2.900 N/A ARG 231.A N ALA 226.A O no hydrogen 3.417 N/A ARG 231.A NE.A GLY 235.A O no hydrogen 3.067 N/A ARG 231.A NH2.A GLY 235.A O no hydrogen 2.934 N/A ARG 231.A NH2.A VAL 236.A O no hydrogen 3.235 N/A TRP 232.A N SER 237.A O no hydrogen 2.769 N/A VAL 236.A N TRP 232.A O no hydrogen 2.916 N/A SER 237.A N TRP 232.A O no hydrogen 3.329 N/A SER 237.A OG PHE 238.A O no hydrogen 3.405 N/A SER 237.A OG SER 242.A OG no hydrogen 2.730 N/A GLN 241.A NE2 VAL 236.A O no hydrogen 3.226 N/A SER 242.A N PHE 238.A O no hydrogen 3.201 N/A SER 242.A N PRO 239.A O no hydrogen 3.226 N/A SER 242.A OG SER 237.A OG no hydrogen 2.730 N/A GLY 243.A N ILE 240.A O no hydrogen 2.956 N/A HIS 244.A N PRO 239.A O no hydrogen 3.126 N/A HIS 244.A ND1 GLY 245.A O no hydrogen 2.831 N/A HIS 244.A NE2 TYR 261.A OH no hydrogen 2.724 N/A GLU 251.A N GLY 248.A O no hydrogen 2.911 N/A PHE 254.A N GLU 251.A O no hydrogen 3.225 N/A ASP 256.A N GLY 253.A O no hydrogen 3.054 N/A ARG 257.A NH1 ASN 252.A O no hydrogen 2.859 N/A ARG 257.A NH2 ASN 252.A O no hydrogen 2.584 N/A TYR 261.A N SER 259.A OG no hydrogen 3.047 N/A TYR 261.A OH HIS 244.A NE2 no hydrogen 2.724 N/A SER 262.A N SER 259.A O no hydrogen 3.100 N/A