Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ils_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 72.A OE2 no hydrogen 3.158 N/A CYS 5.A SG ARG 6.A O no hydrogen 3.503 N/A ARG 6.A N TYR 56.A OH no hydrogen 3.241 N/A ARG 6.A NH1 PRO 55.A O no hydrogen 2.951 N/A ARG 6.A NH1 ASP 59.A OD1 no hydrogen 3.135 N/A ARG 6.A NH1 ASP 59.A OD2 no hydrogen 3.228 N/A ARG 6.A NH2 ASP 59.A OD2 no hydrogen 2.824 N/A SER 8.A OG SER 73.A OG no hydrogen 3.064 N/A SER 10.A OG GLU 77.A OE2 no hydrogen 2.885 N/A VAL 11.A N GLY 51.A O no hydrogen 3.002 N/A LEU 13.A N VAL 49.A O no hydrogen 2.830 N/A GLN 14.A N VAL 49.A O no hydrogen 3.411 N/A GLN 14.A NE2 PRO 41.A O no hydrogen 3.135 N/A ALA 20.A N LEU 16.A O no hydrogen 2.810 N/A ARG 21.A N ASP 46.A OD2 no hydrogen 2.697 N/A LYS 22.A N ASP 46.A O no hydrogen 3.400 N/A LYS 22.A NZ MET 264.A O no hydrogen 3.095 N/A LEU 24.A N ALA 48.A O no hydrogen 2.808 N/A PHE 25.A N HIS 88.A O no hydrogen 3.020 N/A MET 26.A N VAL 50.A O no hydrogen 2.828 N/A LEU 27.A N GLY 90.A O no hydrogen 2.880 N/A GLY 31.A N ASP 29.A OD2 no hydrogen 3.330 N/A GLY 32.A N ASP 29.A O no hydrogen 2.811 N/A ALA 34.A N ASN 53.A OD1 no hydrogen 2.830 N/A PHE 35.A N SER 33.A OG no hydrogen 3.193 N/A SER 36.A N SER 33.A O no hydrogen 3.308 N/A SER 36.A OG ASP 29.A OD1 no hydrogen 2.630 N/A SER 36.A OG THR 146.A OG1 no hydrogen 3.249 N/A TYR 37.A N ALA 34.A O no hydrogen 3.200 N/A TYR 37.A OH LEU 27.A O no hydrogen 2.664 N/A ALA 38.A N PHE 35.A O no hydrogen 3.236 N/A SER 39.A OG SER 36.A O no hydrogen 3.549 N/A SER 39.A OG MET 248.A O no hydrogen 3.043 N/A LEU 40.A N TYR 37.A O no hydrogen 3.160 N/A LEU 43.A N GLN 14.A OE1 no hydrogen 3.071 N/A LYS 44.A N ASP 261.A OD2 no hydrogen 2.989 N/A SER 45.A N ASP 261.A OD1 no hydrogen 3.123 N/A SER 45.A OG THR 47.A OG1 no hydrogen 3.019 N/A SER 45.A OG ASP 261.A OD1 no hydrogen 2.769 N/A THR 47.A N SER 45.A O no hydrogen 2.829 N/A THR 47.A OG1 SER 45.A OG no hydrogen 3.019 N/A ALA 48.A N LYS 22.A O no hydrogen 2.926 N/A VAL 49.A N GLN 14.A O no hydrogen 2.807 N/A VAL 50.A N LEU 24.A O no hydrogen 2.889 N/A GLY 51.A N VAL 11.A O no hydrogen 2.945 N/A LEU 52.A N MET 26.A O no hydrogen 3.058 N/A ASN 53.A N THR 9.A O no hydrogen 2.970 N/A ASN 53.A ND2 THR 9.A OG1 no hydrogen 3.097 N/A CYS 54.A N GLY 32.A O no hydrogen 2.769 N/A CYS 54.A SG HIS 165.A NE2 no hydrogen 3.108 N/A ALA 57.A N CYS 54.A O no hydrogen 3.010 N/A ASP 59.A N TYR 56.A O no hydrogen 3.170 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.705 N/A ASN 62.A N ASP 59.A O no hydrogen 2.944 N/A ASN 62.A ND2 ASP 59.A OD2 no hydrogen 3.004 N/A MET 63.A N PRO 60.A O no hydrogen 3.121 N/A ALA 69.A N THR 66.A OG1 no hydrogen 3.028 N/A MET 70.A N THR 66.A O no hydrogen 3.105 N/A ILE 71.A N HIS 67.A O no hydrogen 2.806 N/A GLU 72.A N GLY 68.A O no hydrogen 2.988 N/A SER 73.A N ALA 69.A O no hydrogen 3.051 N/A SER 73.A OG ARG 6.A O no hydrogen 2.656 N/A SER 73.A OG SER 8.A OG no hydrogen 3.064 N/A PHE 74.A N MET 70.A O no hydrogen 3.002 N/A CYS 75.A N ILE 71.A O no hydrogen 2.885 N/A CYS 75.A SG ILE 71.A O no hydrogen 3.501 N/A ASN 76.A N GLU 72.A O no hydrogen 2.878 N/A GLU 77.A N SER 73.A O no hydrogen 3.216 N/A ILE 78.A N PHE 74.A O no hydrogen 2.999 N/A ARG 79.A N CYS 75.A O no hydrogen 2.961 N/A ARG 79.A NH1 GLN 109.A OE1 no hydrogen 3.365 N/A ARG 79.A NH2 PRO 83.A O no hydrogen 3.218 N/A ARG 80.A N ASN 76.A O no hydrogen 3.098 N/A ARG 80.A N GLU 77.A O no hydrogen 3.219 N/A ARG 80.A NE GLU 77.A OE1 no hydrogen 2.951 N/A ARG 80.A NH2 GLU 77.A OE2 no hydrogen 2.932 N/A ARG 81.A N GLU 77.A O no hydrogen 3.221 N/A ARG 81.A NE SER 10.A OG no hydrogen 2.912 N/A ARG 81.A NH2 SER 10.A O no hydrogen 2.882 N/A GLN 82.A N ILE 78.A O no hydrogen 2.892 N/A GLN 82.A NE2 ARG 84.A O no hydrogen 2.929 N/A GLN 82.A NE2 PRO 86.A O no hydrogen 2.936 N/A TYR 87.A N GLU 112.A O no hydrogen 3.122 N/A TYR 87.A OH GLN 82.A O no hydrogen 3.055 N/A HIS 88.A ND1 SER 115.A OG no hydrogen 2.894 N/A LEU 89.A N SER 115.A O no hydrogen 3.014 N/A GLY 90.A N PHE 25.A O no hydrogen 3.026 N/A GLY 91.A N ILE 117.A O no hydrogen 2.999 N/A TRP 92.A N TYR 37.A OH no hydrogen 2.871 N/A TRP 92.A NE1 HIS 244.A O no hydrogen 3.113 N/A SER 93.A N ILE 119.A O no hydrogen 3.122 N/A SER 93.A OG HIS 244.A NE2 no hydrogen 3.241 N/A GLY 95.A N TRP 92.A O no hydrogen 2.842 N/A GLY 96.A N SER 93.A O no hydrogen 2.802 N/A ALA 97.A N SER 93.A O no hydrogen 3.407 N/A PHE 98.A N SER 94.A O no hydrogen 3.061 N/A ALA 99.A N GLY 95.A O no hydrogen 2.869 N/A TYR 100.A N GLY 96.A O no hydrogen 3.250 N/A TYR 100.A OH ALA 179.A O no hydrogen 2.824 N/A VAL 101.A N ALA 97.A O no hydrogen 3.117 N/A VAL 102.A N PHE 98.A O no hydrogen 2.842 N/A ALA 103.A N ALA 99.A O no hydrogen 3.071 N/A GLU 104.A N TYR 100.A O no hydrogen 2.862 N/A ALA 105.A N VAL 101.A O no hydrogen 3.096 N/A LEU 106.A N VAL 102.A O no hydrogen 2.959 N/A VAL 107.A N ALA 103.A O no hydrogen 2.741 N/A ASN 108.A N GLU 104.A O no hydrogen 2.917 N/A GLN 109.A N ALA 105.A O no hydrogen 3.060 N/A GLN 109.A N LEU 106.A O no hydrogen 3.196 N/A GLY 110.A N VAL 107.A O no hydrogen 3.147 N/A GLU 111.A N LEU 106.A O no hydrogen 2.915 N/A HIS 114.A N TYR 87.A O no hydrogen 2.948 N/A SER 115.A OG HIS 88.A ND1 no hydrogen 2.894 N/A LEU 116.A N LYS 188.A O no hydrogen 3.307 N/A ILE 117.A N LEU 89.A O no hydrogen 2.884 N/A ILE 118.A N GLY 190.A O no hydrogen 2.734 N/A ILE 119.A N GLY 91.A O no hydrogen 2.994 N/A ASP 120.A N VAL 192.A O no hydrogen 2.647 N/A GLN 125.A NE2 ILE 123.A O no hydrogen 2.905 N/A GLN 129.A NE2 THR 167.A O no hydrogen 2.799 N/A PHE 134.A N PRO 131.A O no hydrogen 2.893 N/A GLU 136.A N ARG 132.A O no hydrogen 2.912 N/A HIS 137.A N ALA 133.A O no hydrogen 3.027 N/A HIS 137.A N PHE 134.A O no hydrogen 3.019 N/A CYS 138.A N PHE 134.A O no hydrogen 2.979 N/A CYS 138.A SG PHE 134.A O no hydrogen 3.486 N/A ASN 139.A N TYR 135.A O no hydrogen 2.971 N/A ASN 139.A ND2 THR 156.A O no hydrogen 3.067 N/A SER 140.A N GLU 136.A O no hydrogen 3.062 N/A SER 140.A OG HIS 137.A O no hydrogen 2.690 N/A ILE 141.A N CYS 138.A O no hydrogen 3.217 N/A GLY 142.A N ASN 139.A O no hydrogen 2.897 N/A LEU 143.A N CYS 138.A O no hydrogen 3.038 N/A ALA 145.A N GLY 142.A O no hydrogen 3.329 N/A THR 146.A OG1 SER 36.A OG no hydrogen 3.249 N/A GLN 147.A N PHE 144.A O no hydrogen 2.966 N/A GLN 147.A NE2 ASP 29.A OD2 no hydrogen 3.228 N/A GLN 147.A NE2 SER 36.A OG no hydrogen 3.404 N/A ASP 153.A N SER 151.A OG no hydrogen 3.285 N/A SER 155.A N SER 151.A OG no hydrogen 3.139 N/A SER 155.A N ASP 153.A OD1 no hydrogen 3.273 N/A SER 155.A OG ASP 153.A OD1 no hydrogen 2.940 N/A SER 155.A OG ASP 153.A OD2 no hydrogen 3.519 N/A THR 156.A OG1 GLU 157.A O no hydrogen 3.332 N/A LEU 162.A N PRO 159.A O no hydrogen 3.041 N/A HIS 165.A N TYR 161.A O no hydrogen 3.063 N/A HIS 165.A N LEU 162.A O no hydrogen 2.922 N/A HIS 165.A ND1 GLY 30.A O no hydrogen 2.725 N/A PHE 166.A N LEU 162.A O no hydrogen 3.190 N/A THR 167.A N ILE 163.A O no hydrogen 3.100 N/A THR 167.A OG1 ILE 163.A O no hydrogen 3.181 N/A ALA 168.A N PRO 164.A O no hydrogen 2.834 N/A VAL 169.A N HIS 165.A O no hydrogen 2.897 N/A VAL 170.A N PHE 166.A O no hydrogen 3.116 N/A ASP 171.A N THR 167.A O no hydrogen 2.955 N/A VAL 172.A N ALA 168.A O no hydrogen 2.975 N/A VAL 172.A N VAL 169.A O no hydrogen 3.262 N/A MET 173.A N VAL 170.A O no hydrogen 3.395 N/A LEU 174.A N ASP 171.A O no hydrogen 3.259 N/A TYR 176.A N MET 173.A O no hydrogen 3.008 N/A TYR 176.A OH GLU 104.A OE1 no hydrogen 2.694 N/A TYR 176.A OH GLU 104.A OE2 no hydrogen 3.363 N/A LEU 181.A N ILE 228.A O no hydrogen 2.925 N/A LYS 188.A N HIS 114.A O no hydrogen 2.826 N/A VAL 189.A N SER 233.A O no hydrogen 3.018 N/A GLY 190.A N LEU 116.A O no hydrogen 2.846 N/A ILE 191.A N ASP 235.A O no hydrogen 2.962 N/A VAL 192.A N ILE 118.A O no hydrogen 2.926 N/A TRP 193.A N VAL 237.A O no hydrogen 3.021 N/A TRP 193.A NE1 GLY 221.A O no hydrogen 2.801 N/A ALA 194.A N ASP 120.A OD1 no hydrogen 2.937 N/A ALA 195.A N ALA 239.A O no hydrogen 3.354 N/A ASP 196.A N ALA 242.A O no hydrogen 2.905 N/A THR 197.A OG1 MET 199.A O no hydrogen 2.774 N/A ARG 202.A N ASP 200.A OD2 no hydrogen 3.361 N/A ASP 203.A N ASP 200.A O no hydrogen 2.745 N/A ALA 204.A N ASP 200.A O no hydrogen 3.123 N/A ALA 204.A N GLU 201.A O no hydrogen 3.311 N/A LYS 208.A N GLU 128.A OE2 no hydrogen 2.824 N/A GLY 209.A N GLU 128.A OE1 no hydrogen 2.975 N/A HIS 211.A N GLN 215.A OE1 no hydrogen 2.762 N/A MET 213.A N HIS 211.A ND1 no hydrogen 3.046 N/A ILE 214.A N HIS 211.A O no hydrogen 2.811 N/A GLN 215.A N HIS 211.A O no hydrogen 3.257 N/A LYS 216.A N GLU 201.A OE2 no hydrogen 2.954 N/A LYS 216.A NZ ALA 195.A O no hydrogen 2.845 N/A ARG 217.A NH1 GLU 219.A O no hydrogen 2.929 N/A ARG 217.A NH1 ASP 223.A OD2 no hydrogen 2.696 N/A GLY 221.A N GLU 219.A OE2 no hydrogen 3.040 N/A GLY 224.A N ASP 226.A OD1 no hydrogen 3.183 N/A TRP 225.A N PRO 222.A O no hydrogen 3.068 N/A TRP 225.A NE1 ALA 121.A O no hydrogen 2.825 N/A ASP 226.A N ASP 226.A OD1 no hydrogen 2.638 N/A THR 227.A N GLY 224.A O no hydrogen 2.898 N/A MET 229.A N TRP 225.A O no hydrogen 3.217 N/A ASP 235.A N VAL 189.A O no hydrogen 2.809 N/A VAL 237.A N ILE 191.A O no hydrogen 2.903 N/A ARG 238.A NE ASP 240.A OD1 no hydrogen 2.586 N/A ALA 239.A N TRP 193.A O no hydrogen 2.991 N/A ASP 240.A N ARG 238.A O no hydrogen 3.030 N/A ALA 242.A N ALA 239.A O no hydrogen 3.192 N/A ASN 243.A N THR 246.A OG1 no hydrogen 2.869 N/A HIS 244.A ND1 ASP 120.A OD2 no hydrogen 2.693 N/A PHE 245.A N ASN 243.A OD1 no hydrogen 2.872 N/A THR 246.A N ASN 243.A OD1 no hydrogen 3.006 N/A LEU 247.A N ASN 243.A O no hydrogen 3.096 N/A MET 248.A N PHE 245.A O no hydrogen 3.006 N/A GLN 249.A N THR 246.A O no hydrogen 3.013 N/A GLN 249.A NE2 GLU 251.A OE1 no hydrogen 3.243 N/A HIS 252.A N GLN 249.A O no hydrogen 2.747 N/A HIS 252.A ND1 THR 246.A O no hydrogen 3.118 N/A VAL 253.A N GLN 249.A O no hydrogen 2.883 N/A ILE 255.A N HIS 252.A O no hydrogen 3.007 N/A ILE 256.A N VAL 253.A O no hydrogen 3.088 N/A SER 257.A N VAL 253.A O no hydrogen 3.483 N/A SER 257.A OG SER 254.A O no hydrogen 3.090 N/A ASP 258.A N SER 254.A O no hydrogen 2.940 N/A LEU 259.A N ILE 255.A O no hydrogen 3.109 N/A ILE 260.A N ILE 256.A O no hydrogen 3.065 N/A ASP 261.A N SER 257.A O no hydrogen 3.103 N/A ARG 262.A N ASP 258.A O no hydrogen 3.108 N/A ARG 262.A NE ASP 235.A OD2 no hydrogen 2.848 N/A ARG 262.A NH2 ASP 235.A OD1 no hydrogen 3.150 N/A ARG 262.A NH2 ASP 235.A OD2 no hydrogen 3.525 N/A VAL 263.A N LEU 259.A O no hydrogen 2.889 N/A MET 264.A N ILE 260.A O no hydrogen 2.915 N/A ALA 265.A N ARG 262.A O no hydrogen 3.342 N/A