Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3use_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ILE 37.A O no hydrogen 2.912 N/A VAL 6.A N SER 38.A O no hydrogen 2.823 N/A VAL 7.A N ILE 69.A O no hydrogen 2.912 N/A TRP 8.A N TYR 41.A O no hydrogen 2.893 N/A TRP 8.A NE1 GLU 73.A OE2.A no hydrogen 2.757 N/A ILE 9.A N ALA 71.A O no hydrogen 2.920 N/A HIS 10.A NE2 THR 18.A OG1 no hydrogen 3.128 N/A GLY 11.A N GLU 73.A O.A no hydrogen 2.884 N/A GLY 11.A N GLU 73.A O.B no hydrogen 2.902 N/A LEU 12.A N ASN 75.A O no hydrogen 2.899 N/A THR 15.A OG1 GLU 13.A OE2 no hydrogen 2.730 N/A CYS 17.A N GLU 73.A OE2.B no hydrogen 2.750 N/A THR 18.A N GLU 73.A OE1.A no hydrogen 3.078 N/A THR 18.A N GLU 73.A OE2.B no hydrogen 3.218 N/A THR 18.A OG1 HIS 10.A NE2 no hydrogen 3.128 N/A THR 18.A OG1 GLU 73.A OE1.A no hydrogen 3.230 N/A THR 18.A OG1 GLU 73.A OE1.B no hydrogen 2.679 N/A THR 18.A OG1 GLU 73.A OE2.A no hydrogen 2.492 N/A GLU 19.A N THR 15.A O no hydrogen 3.014 N/A SER 20.A N CYS 16.A O no hydrogen 2.768 N/A SER 20.A OG PRO 148.A O no hydrogen 2.649 N/A PHE 21.A N CYS 17.A O no hydrogen 2.998 N/A ILE 22.A N THR 18.A O no hydrogen 3.272 N/A ARG 23.A N GLU 19.A O no hydrogen 3.311 N/A ARG 23.A N SER 20.A O no hydrogen 2.906 N/A ARG 23.A NH1 GLU 19.A OE1 no hydrogen 2.673 N/A ARG 23.A NH2 GLU 19.A OE1 no hydrogen 3.238 N/A SER 24.A N PHE 21.A O no hydrogen 3.107 N/A SER 24.A OG PRO 27.A O no hydrogen 2.576 N/A SER 24.A OG ASP 151.A OD1 no hydrogen 3.236 N/A SER 24.A OG SER 154.A OG no hydrogen 2.726 N/A ALA 25.A N ASP 151.A OD1 no hydrogen 2.732 N/A VAL 32.A N LEU 28.A O no hydrogen 2.987 N/A ILE 33.A N ALA 29.A O no hydrogen 3.007 N/A LEU 34.A N LYS 30.A O no hydrogen 2.879 N/A SER 35.A N ASP 31.A O no hydrogen 2.943 N/A LEU 36.A N VAL 32.A O no hydrogen 2.951 N/A ILE 37.A N VAL 32.A O no hydrogen 2.972 N/A SER 38.A N ILE 4.A O no hydrogen 2.817 N/A SER 38.A OG ASP 40.A OD1 no hydrogen 2.600 N/A ASP 40.A N VAL 6.A O no hydrogen 2.858 N/A THR 44.A N ASP 42.A OD1 no hydrogen 3.141 N/A THR 44.A OG1.B ASP 42.A OD1 no hydrogen 2.978 N/A LEU 45.A N ASP 42.A O no hydrogen 3.153 N/A MET 46.A N ASP 42.A O no hydrogen 3.047 N/A ALA 53.A N ALA 49.A O no hydrogen 3.146 N/A GLU 54.A N GLY 50.A O no hydrogen 2.921 N/A GLU 55.A N THR 51.A O no hydrogen 2.930 N/A VAL 56.A N GLN 52.A O no hydrogen 3.094 N/A PHE 57.A N ALA 53.A O no hydrogen 3.056 N/A GLU 58.A N GLU 54.A O no hydrogen 2.966 N/A ASP 59.A N GLU 55.A O no hydrogen 2.859 N/A ILE 60.A N VAL 56.A O no hydrogen 2.908 N/A ILE 61.A N PHE 57.A O no hydrogen 3.066 N/A THR 62.A N GLU 58.A O no hydrogen 3.097 N/A THR 62.A OG1 GLU 58.A O no hydrogen 2.780 N/A THR 62.A OG1 GLU 58.A OE2.A no hydrogen 3.375 N/A GLN 63.A N ASP 59.A O no hydrogen 2.828 N/A TYR 64.A N ILE 60.A O no hydrogen 2.961 N/A ASN 65.A N THR 62.A O no hydrogen 3.220 N/A GLY 66.A N GLY 102.A O no hydrogen 2.623 N/A LYS 67.A N TYR 64.A O no hydrogen 2.755 N/A TYR 68.A OH ALA 99.A O no hydrogen 2.556 N/A ILE 69.A N PRO 5.A O no hydrogen 3.000 N/A LEU 70.A N ALA 105.A O no hydrogen 3.032 N/A ALA 71.A N VAL 7.A O no hydrogen 2.741 N/A VAL 72.A N ILE 107.A O no hydrogen 2.791 N/A GLU 73.A N.A ILE 9.A O no hydrogen 3.012 N/A GLU 73.A N.B ILE 9.A O no hydrogen 3.012 N/A ASN 75.A N LEU 12.A O no hydrogen 2.990 N/A ASN 75.A ND2 CYS 112.A O no hydrogen 2.863 N/A ASN 75.A ND2 GLY 116.A O no hydrogen 2.944 N/A LEU 78.A N GLN 127.A O no hydrogen 2.911 N/A GLY 79.A N THR 126.A O no hydrogen 2.946 N/A GLY 82.A N GLY 79.A O no hydrogen 2.845 N/A MET 83.A N GLU 80.A O no hydrogen 2.846 N/A CYS 85.A N GLY 82.A O no hydrogen 3.329 N/A SER 87.A N ARG 90.A O no hydrogen 2.797 N/A SER 88.A OG GLU 54.A OE2 no hydrogen 2.962 N/A ARG 90.A N SER 87.A O no hydrogen 3.099 N/A PHE 92.A N CYS 85.A O no hydrogen 2.809 N/A GLU 94.A N PRO 91.A O no hydrogen 2.957 N/A LYS 95.A NZ TYR 41.A OH no hydrogen 2.685 N/A LYS 95.A NZ SER 87.A OG.B no hydrogen 3.355 N/A LEU 96.A N PHE 92.A O no hydrogen 2.961 N/A LYS 97.A N ILE 93.A O no hydrogen 2.961 N/A ARG 98.A N GLU 94.A O no hydrogen 2.995 N/A ARG 98.A NH1.A GLU 58.A OE1.A no hydrogen 3.404 N/A ARG 98.A NH1.A GLU 58.A OE1.B no hydrogen 2.641 N/A ARG 98.A NH1.A GLU 58.A OE2.A no hydrogen 3.128 N/A ARG 98.A NH2.A GLU 58.A OE1.A no hydrogen 3.220 N/A ALA 99.A N LYS 95.A O no hydrogen 2.922 N/A ALA 100.A N LEU 96.A O no hydrogen 2.799 N/A ALA 101.A N LYS 97.A O no hydrogen 2.994 N/A ALA 103.A N ALA 100.A O no hydrogen 3.177 N/A SER 104.A N TYR 68.A O no hydrogen 2.828 N/A SER 104.A OG TYR 68.A O no hydrogen 3.308 N/A ILE 106.A N PRO 139.A O no hydrogen 2.784 N/A ILE 107.A N LEU 70.A O no hydrogen 2.758 N/A ALA 108.A N ILE 141.A O no hydrogen 2.821 N/A TRP 109.A N VAL 72.A O no hydrogen 2.942 N/A GLY 110.A N VAL 143.A O no hydrogen 2.780 N/A THR 111.A N GLY 145.A O no hydrogen 2.986 N/A THR 111.A OG1 CYS 249.A O no hydrogen 2.675 N/A SER 114.A N GLY 110.A O no hydrogen 3.001 N/A SER 114.A OG ALA 108.A O no hydrogen 3.283 N/A SER 114.A OG GLY 110.A O no hydrogen 2.846 N/A TRP 115.A N THR 111.A O no hydrogen 2.751 N/A GLY 116.A N THR 111.A O no hydrogen 2.881 N/A GLN 119.A N GLN 119.A OE1 no hydrogen 2.774 N/A GLN 119.A NE2 ASN 75.A OD1 no hydrogen 2.909 N/A ALA 120.A N CYS 117.A O no hydrogen 2.935 N/A ALA 121.A N VAL 118.A O no hydrogen 3.014 N/A ARG 122.A N ASP 256.A OD1 no hydrogen 3.452 N/A ARG 122.A N ASP 256.A OD2 no hydrogen 2.875 N/A ASN 124.A N ALA 121.A O no hydrogen 2.699 N/A ASN 124.A ND2 ALA 128.A O no hydrogen 3.145 N/A GLN 127.A N ASN 124.A O no hydrogen 3.245 N/A ALA 128.A N ASN 124.A OD1 no hydrogen 2.854 N/A THR 129.A N PRO 76.A O no hydrogen 2.939 N/A THR 129.A OG1 GLN 127.A O no hydrogen 2.917 N/A ILE 131.A N ALA 113.A O no hydrogen 3.089 N/A LYS 133.A N PRO 130.A O no hydrogen 3.143 N/A VAL 134.A N ILE 131.A O no hydrogen 2.983 N/A ILE 135.A N ILE 131.A O no hydrogen 2.880 N/A LYS 138.A NZ ALA 101.A O no hydrogen 3.267 N/A LYS 138.A NZ ALA 103.A O no hydrogen 2.738 N/A ILE 141.A N ILE 106.A O no hydrogen 2.889 N/A LYS 142.A N GLY 173.A O no hydrogen 2.844 N/A LYS 142.A NZ ASP 132.A OD2 no hydrogen 2.927 N/A LYS 142.A NZ MET 172.A O no hydrogen 2.814 N/A VAL 143.A N ALA 108.A O no hydrogen 2.935 N/A GLY 145.A N THR 111.A OG1 no hydrogen 2.882 N/A VAL 152.A N ILE 149.A O no hydrogen 2.970 N/A MET 153.A N ILE 149.A O no hydrogen 2.976 N/A SER 154.A N PRO 150.A O no hydrogen 3.071 N/A SER 154.A OG SER 24.A OG no hydrogen 2.726 N/A SER 154.A OG PRO 150.A O no hydrogen 3.562 N/A SER 154.A OG ASP 151.A O no hydrogen 3.454 N/A ALA 155.A N ASP 151.A O no hydrogen 3.042 N/A ILE 156.A N VAL 152.A O no hydrogen 2.894 N/A ILE 157.A N MET 153.A O no hydrogen 3.040 N/A THR 158.A N SER 154.A O no hydrogen 2.858 N/A THR 158.A OG1.A SER 154.A O no hydrogen 2.779 N/A THR 158.A OG1.B SER 154.A O no hydrogen 3.207 N/A THR 158.A OG1.B ALA 155.A O no hydrogen 3.046 N/A TYR 159.A N ALA 155.A O no hydrogen 2.813 N/A MET 160.A N ILE 156.A O no hydrogen 3.093 N/A VAL 161.A N ILE 157.A O no hydrogen 3.008 N/A THR 162.A N THR 158.A O no hydrogen 2.828 N/A THR 162.A OG1 THR 158.A O no hydrogen 2.892 N/A PHE 163.A N TYR 159.A O no hydrogen 2.859 N/A ARG 165.A NE.A PHE 163.A O no hydrogen 3.009 N/A ARG 165.A NH1.B TYR 159.A OH no hydrogen 2.745 N/A ARG 165.A NH2.A PHE 163.A O no hydrogen 2.780 N/A ARG 165.A NH2.B ASP 168.A OD1.B no hydrogen 3.343 N/A ASP 170.A N ARG 174.A O no hydrogen 2.860 N/A MET 172.A N ASP 170.A OD1 no hydrogen 2.846 N/A GLY 173.A N ASP 170.A O no hydrogen 3.061 N/A ARG 174.A N ASP 170.A OD1 no hydrogen 2.975 N/A ARG 174.A NE ASP 170.A OD2 no hydrogen 2.821 N/A ARG 174.A NH1 GLU 251.A OE1 no hydrogen 2.915 N/A ARG 174.A NH2 ASP 170.A OD2 no hydrogen 3.312 N/A LEU 176.A N ASP 168.A O no hydrogen 2.939 N/A PHE 178.A N PRO 175.A O no hydrogen 3.285 N/A TYR 179.A N PRO 175.A O no hydrogen 2.958 N/A TYR 179.A OH PRO 144.A O no hydrogen 2.634 N/A GLY 180.A N LEU 176.A O no hydrogen 3.022 N/A ARG 182.A N ASP 185.A OD2 no hydrogen 2.894 N/A ARG 182.A NE ASP 185.A OD1 no hydrogen 3.040 N/A ARG 182.A NE ASP 185.A OD2 no hydrogen 3.568 N/A ARG 182.A NH1 PRO 221.A O no hydrogen 2.714 N/A ARG 182.A NH2 ASP 185.A OD1 no hydrogen 2.905 N/A ILE 183.A N THR 223.A O no hydrogen 2.815 N/A HIS 184.A N GLY 220.A O no hydrogen 3.329 N/A ASP 185.A N ARG 182.A O no hydrogen 3.033 N/A LYS 186.A N ILE 183.A O no hydrogen 3.169 N/A LYS 186.A NZ GLN 181.A OE1 no hydrogen 2.739 N/A ARG 189.A NE TYR 188.A OH no hydrogen 3.249 N/A ARG 189.A NH1 TYR 211.A O no hydrogen 2.948 N/A ARG 189.A NH2 TYR 188.A OH no hydrogen 3.079 N/A ARG 190.A N CYS 187.A O no hydrogen 3.007 N/A ARG 190.A NE ASP 194.A OD1.A no hydrogen 3.053 N/A ARG 190.A NH1 HIS 184.A O no hydrogen 3.118 N/A HIS 192.A N ARG 189.A O no hydrogen 2.959 N/A HIS 192.A ND1 GLU 197.A OE2 no hydrogen 2.803 N/A PHE 193.A N ARG 189.A O no hydrogen 3.204 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 3.095 N/A GLY 196.A N PHE 193.A O no hydrogen 3.118 N/A GLU 197.A N HIS 192.A O no hydrogen 2.829 N/A VAL 199.A N CYS 212.A O no hydrogen 2.950 N/A GLN 200.A N ASP 204.A OD2 no hydrogen 2.950 N/A SER 201.A N ASP 204.A OD2 no hydrogen 3.156 N/A ASP 204.A N SER 201.A O no hydrogen 3.238 N/A ALA 207.A N ASP 204.A OD1 no hydrogen 2.801 N/A ARG 208.A N ASP 204.A O no hydrogen 3.177 N/A ARG 208.A NE ASP 203.A OD1 no hydrogen 2.878 N/A ARG 208.A NH2 ASP 203.A OD1 no hydrogen 3.372 N/A ARG 208.A NH2 ASP 203.A OD2 no hydrogen 3.013 N/A LYS 209.A N ALA 206.A O no hydrogen 3.033 N/A LYS 209.A NZ TYR 211.A OH no hydrogen 3.066 N/A GLY 210.A N ALA 207.A O no hydrogen 3.147 N/A TYR 211.A N ALA 206.A O no hydrogen 3.037 N/A CYS 212.A N GLU 197.A O no hydrogen 3.152 N/A MET 216.A N LEU 213.A O no hydrogen 2.909 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 3.166 N/A LYS 219.A N CYS 246.A O no hydrogen 2.801 N/A LYS 219.A NZ GLY 217.A O no hydrogen 2.788 N/A LYS 219.A NZ SER 259.A O no hydrogen 3.350 N/A LYS 219.A NZ SER 262.A O no hydrogen 2.817 N/A THR 222.A N LYS 219.A O no hydrogen 3.011 N/A THR 222.A OG1 LYS 219.A O no hydrogen 3.305 N/A THR 223.A N GLY 220.A O no hydrogen 3.288 N/A THR 223.A OG1 LYS 219.A O no hydrogen 2.682 N/A TYR 224.A N GLU 251.A OE1 no hydrogen 2.890 N/A ALA 226.A N ASN 225.A OD1 no hydrogen 2.741 N/A SER 228.A OG ILE 183.A O no hydrogen 2.834 N/A SER 229.A N ALA 226.A O no hydrogen 3.135 N/A SER 229.A OG.B ALA 226.A O no hydrogen 3.146 N/A THR 230.A N ALA 226.A O no hydrogen 2.876 N/A ARG 231.A NE.A GLY 235.A O no hydrogen 3.052 N/A ARG 231.A NH2.A VAL 236.A O no hydrogen 3.135 N/A TRP 232.A N SER 237.A O no hydrogen 2.695 N/A VAL 236.A N TRP 232.A O no hydrogen 2.864 N/A VAL 236.A N ASN 233.A O no hydrogen 3.368 N/A SER 237.A N TRP 232.A O no hydrogen 3.314 N/A SER 237.A OG PHE 238.A O no hydrogen 3.447 N/A SER 237.A OG SER 242.A OG no hydrogen 2.781 N/A SER 242.A N PHE 238.A O no hydrogen 3.167 N/A SER 242.A N PRO 239.A O no hydrogen 3.207 N/A SER 242.A OG SER 237.A OG no hydrogen 2.781 N/A GLY 243.A N ILE 240.A O no hydrogen 2.959 N/A HIS 244.A N PRO 239.A O no hydrogen 3.140 N/A HIS 244.A ND1 GLY 245.A O no hydrogen 2.855 N/A HIS 244.A NE2 TYR 261.A OH no hydrogen 2.779 N/A GLU 251.A N GLY 248.A O no hydrogen 2.875 N/A PHE 254.A N GLU 251.A O no hydrogen 3.196 N/A ASP 256.A N GLY 253.A O no hydrogen 3.062 N/A ARG 257.A NH1.A ASN 252.A O no hydrogen 2.779 N/A ARG 257.A NH2.A ASN 252.A O no hydrogen 2.891 N/A ARG 257.A NH2.B ASN 252.A O no hydrogen 2.954 N/A TYR 261.A N SER 259.A OG no hydrogen 3.067 N/A TYR 261.A OH HIS 244.A NE2 no hydrogen 2.779 N/A SER 262.A N SER 259.A O no hydrogen 3.055 N/A