Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ta3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N CYS 98.A O no hydrogen 2.953 N/A ARG 5.A N TRP 25.A O no hydrogen 2.872 N/A CYS 6.A N ALA 96.A O no hydrogen 2.627 N/A CYS 6.A SG ALA 96.A O no hydrogen 3.543 N/A LEU 7.A N VAL 23.A O no hydrogen 2.933 N/A GLN 8.A N LEU 94.A O no hydrogen 2.976 N/A GLN 8.A NE2 SER 10.A OG no hydrogen 2.961 N/A MET 9.A N ASP 21.A O no hydrogen 2.948 N/A SER 10.A N ILE 92.A O no hydrogen 2.886 N/A SER 10.A OG THR 20.A OG1 no hydrogen 2.701 N/A SER 11.A N ARG 19.A O no hydrogen 3.085 N/A SER 11.A OG GLU 91.A OE2 no hydrogen 2.481 N/A PHE 12.A N ILE 90.A O no hydrogen 2.900 N/A ALA 13.A N TRP 17.A O no hydrogen 3.248 N/A SER 16.A N ASN 14.A OD1 no hydrogen 3.395 N/A SER 16.A OG ASN 14.A OD1 no hydrogen 3.357 N/A TRP 17.A N ASN 14.A OD1 no hydrogen 3.007 N/A ARG 19.A N SER 11.A O no hydrogen 3.239 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.726 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 3.299 N/A ARG 19.A NH2 ASP 37.A OD1 no hydrogen 3.156 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.727 N/A THR 20.A OG1 SER 10.A OG no hydrogen 2.701 N/A ASP 21.A N MET 9.A O no hydrogen 2.977 N/A SER 22.A N TRP 34.A O no hydrogen 2.893 N/A VAL 23.A N LEU 7.A O no hydrogen 2.983 N/A VAL 24.A N HIS 32.A O no hydrogen 3.118 N/A TRP 25.A N ARG 5.A O no hydrogen 2.849 N/A LEU 26.A N LEU 29.A O no hydrogen 2.906 N/A GLY 27.A N THR 3.A O no hydrogen 2.911 N/A LEU 29.A N LEU 26.A O no hydrogen 3.390 N/A GLN 30.A N GLU 231.A OE1 no hydrogen 3.366 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.324 N/A THR 31.A N VAL 24.A O no hydrogen 2.627 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.543 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.897 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.897 N/A HIS 32.A NE2 SER 48.A O no hydrogen 2.834 N/A ARG 33.A N SER 42.A O no hydrogen 2.921 N/A TRP 34.A N SER 22.A O no hydrogen 3.091 N/A TRP 34.A NE1 SER 38.A O no hydrogen 2.997 N/A SER 35.A OG ASP 37.A OD1 no hydrogen 3.031 N/A ASN 36.A N ASP 21.A OD2 no hydrogen 2.858 N/A ASP 37.A N SER 35.A OG no hydrogen 3.259 N/A SER 38.A N SER 35.A O no hydrogen 3.064 N/A SER 38.A OG THR 40.A O no hydrogen 2.486 N/A THR 40.A N SER 38.A OG no hydrogen 3.248 N/A ILE 41.A N GLN 61.A OE1 no hydrogen 2.727 N/A SER 42.A N ARG 33.A O no hydrogen 2.727 N/A THR 44.A N THR 31.A O no hydrogen 2.834 N/A LYS 45.A N SER 48.A OG no hydrogen 3.006 N/A LYS 45.A NZ GLN 30.A O no hydrogen 3.043 N/A LYS 45.A NZ GLU 231.A OE1 no hydrogen 3.145 N/A LYS 45.A NZ GLU 231.A OE2 no hydrogen 2.779 N/A TRP 47.A NE1 ASP 176.A OD2 no hydrogen 2.568 N/A SER 48.A N LYS 45.A O no hydrogen 3.363 N/A SER 48.A OG THR 31.A O no hydrogen 2.693 N/A SER 48.A OG LYS 45.A O no hydrogen 2.964 N/A GLN 49.A NE2 LEU 52.A O no hydrogen 2.892 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 2.765 N/A GLY 50.A N TRP 47.A O no hydrogen 2.817 N/A LEU 52.A N GLN 49.A O no hydrogen 3.187 N/A SER 53.A N GLN 56.A OE1 no hydrogen 3.148 N/A SER 53.A OG GLN 56.A OE1 no hydrogen 2.851 N/A GLN 56.A N SER 53.A OG no hydrogen 3.250 N/A TRP 57.A N SER 53.A O no hydrogen 3.018 N/A GLU 58.A N ASN 54.A O no hydrogen 2.922 N/A LYS 59.A N GLN 55.A O no hydrogen 2.980 N/A LEU 60.A N GLN 56.A O no hydrogen 3.116 N/A LEU 60.A N TRP 57.A O no hydrogen 3.060 N/A GLN 61.A N TRP 57.A O no hydrogen 2.734 N/A HIS 62.A N GLU 58.A O no hydrogen 2.924 N/A MET 63.A N.A LYS 59.A O no hydrogen 3.332 N/A MET 63.A N.B LYS 59.A O no hydrogen 3.356 N/A PHE 64.A N LEU 60.A O no hydrogen 3.239 N/A GLN 65.A N GLN 61.A O no hydrogen 2.763 N/A GLN 65.A NE2 ALA 39.A O no hydrogen 2.939 N/A VAL 66.A N HIS 62.A O no hydrogen 3.016 N/A TYR 67.A N MET 63.A O.A no hydrogen 2.946 N/A TYR 67.A N MET 63.A O.B no hydrogen 3.228 N/A TYR 67.A OH GLN 8.A OE1 no hydrogen 2.649 N/A ARG 68.A N PHE 64.A O no hydrogen 2.880 N/A ARG 68.A NH1 SER 35.A O no hydrogen 3.048 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.206 N/A ARG 68.A NH2 SER 38.A O no hydrogen 2.957 N/A SER 70.A N VAL 66.A O no hydrogen 2.863 N/A SER 70.A OG VAL 66.A O no hydrogen 3.212 N/A PHE 71.A N TYR 67.A O no hydrogen 2.589 N/A THR 72.A N ARG 68.A O no hydrogen 3.260 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.908 N/A ARG 73.A N VAL 69.A O no hydrogen 3.410 N/A ASP 74.A N SER 70.A O no hydrogen 2.940 N/A ILE 75.A N PHE 71.A O no hydrogen 3.051 N/A GLN 76.A N THR 72.A O no hydrogen 3.206 N/A GLU 77.A N ARG 73.A O no hydrogen 2.925 N/A LEU 78.A N ASP 74.A O no hydrogen 2.707 N/A VAL 79.A N ILE 75.A O no hydrogen 2.905 N/A LYS 80.A N GLN 76.A O no hydrogen 3.215 N/A LYS 80.A NZ GLU 77.A OE1 no hydrogen 3.442 N/A LYS 80.A NZ GLU 77.A OE2 no hydrogen 2.880 N/A MET 81.A N GLU 77.A O no hydrogen 2.863 N/A MET 82.A N LEU 78.A O no hydrogen 3.038 N/A SER 83.A N VAL 79.A O no hydrogen 3.011 N/A LYS 85.A N MET 82.A O no hydrogen 2.897 N/A ILE 90.A N PHE 12.A O no hydrogen 2.923 N/A GLU 91.A N GLN 115.A OE1 no hydrogen 2.781 N/A ILE 92.A N SER 10.A O no hydrogen 3.008 N/A GLN 93.A N ALA 113.A O no hydrogen 3.018 N/A LEU 94.A N GLN 8.A O no hydrogen 2.916 N/A SER 95.A N HIS 111.A O no hydrogen 2.744 N/A ALA 96.A N CYS 6.A O no hydrogen 2.999 N/A GLY 97.A N PHE 109.A O no hydrogen 3.143 N/A CYS 98.A N PHE 4.A O no hydrogen 3.293 N/A GLU 99.A N GLU 107.A O no hydrogen 2.869 N/A MET 100.A N TYR 2.A O no hydrogen 2.927 N/A TYR 101.A N ALA 105.A O no hydrogen 2.932 N/A TYR 101.A OH GLU 107.A OE1 no hydrogen 3.316 N/A ALA 105.A N PRO 102.A O no hydrogen 3.422 N/A GLU 107.A N GLU 99.A O no hydrogen 3.014 N/A SER 108.A OG LEU 158.A O no hydrogen 2.511 N/A PHE 109.A N GLY 97.A O no hydrogen 2.838 N/A HIS 111.A N SER 95.A O no hydrogen 2.844 N/A VAL 112.A N VAL 120.A O no hydrogen 2.662 N/A ALA 113.A N GLN 93.A O no hydrogen 2.725 N/A PHE 114.A N LYS 117.A O no hydrogen 2.760 N/A GLN 115.A N GLU 91.A O no hydrogen 2.807 N/A GLN 115.A NE2 PRO 89.A O no hydrogen 3.309 N/A LYS 117.A N PHE 114.A O no hydrogen 3.254 N/A VAL 119.A N VAL 112.A O no hydrogen 2.960 N/A VAL 120.A N VAL 112.A O no hydrogen 3.230 N/A ARG 121.A N GLN 128.A O no hydrogen 3.010 N/A ARG 121.A NE GLN 128.A OE1 no hydrogen 2.906 N/A ARG 121.A NH2 GLN 128.A OE1 no hydrogen 2.698 N/A PHE 122.A N LEU 110.A O no hydrogen 3.016 N/A TRP 123.A N SER 126.A O no hydrogen 2.955 N/A SER 126.A N TRP 123.A O no hydrogen 3.245 N/A SER 126.A OG TRP 127.A O no hydrogen 3.339 N/A TRP 127.A N ASN 145.A OD1 no hydrogen 2.763 N/A GLN 128.A N ARG 121.A O no hydrogen 2.970 N/A VAL 130.A N VAL 119.A O no hydrogen 3.033 N/A ALA 133.A N VAL 130.A O no hydrogen 3.219 N/A LEU 137.A N PRO 134.A O no hydrogen 2.995 N/A ASP 138.A N SER 135.A O no hydrogen 2.945 N/A LEU 139.A N TRP 136.A O no hydrogen 3.207 N/A ILE 141.A N LEU 137.A O no hydrogen 2.947 N/A LYS 142.A N ASP 138.A O no hydrogen 3.009 N/A VAL 143.A N LEU 139.A O no hydrogen 2.859 N/A LEU 144.A N PRO 140.A O no hydrogen 2.678 N/A ASN 145.A N ILE 141.A O no hydrogen 2.819 N/A ASN 145.A ND2 TRP 127.A O no hydrogen 2.869 N/A ALA 146.A N VAL 143.A O no hydrogen 3.095 N/A ASP 147.A N LEU 144.A O no hydrogen 3.186 N/A THR 150.A N ASP 147.A OD1 no hydrogen 2.910 N/A SER 151.A N ASP 147.A O no hydrogen 3.215 N/A ALA 152.A N GLN 148.A O no hydrogen 2.974 N/A THR 153.A N GLY 149.A O no hydrogen 3.200 N/A THR 153.A OG1 GLY 149.A O no hydrogen 3.023 N/A VAL 154.A N THR 150.A O no hydrogen 2.848 N/A GLN 155.A N SER 151.A O no hydrogen 2.823 N/A GLN 155.A NE2 SER 151.A OG no hydrogen 3.250 N/A MET 156.A N ALA 152.A O no hydrogen 2.939 N/A LEU 157.A N THR 153.A O no hydrogen 2.838 N/A LEU 158.A N VAL 154.A O no hydrogen 2.980 N/A ASN 159.A N GLN 155.A O no hydrogen 2.915 N/A ASP 160.A N MET 156.A O no hydrogen 3.048 N/A THR 161.A N MET 156.A O no hydrogen 3.057 N/A THR 161.A OG1 MET 156.A O no hydrogen 3.543 N/A CYS 162.A N LEU 157.A O no hydrogen 2.903 N/A LEU 164.A N ASP 160.A O no hydrogen 3.274 N/A PHE 165.A N THR 161.A O no hydrogen 2.831 N/A VAL 166.A N CYS 162.A O no hydrogen 2.929 N/A ARG 167.A N PRO 163.A O no hydrogen 2.928 N/A ARG 167.A NH2 ASN 104.A O no hydrogen 3.155 N/A GLY 168.A N LEU 164.A O no hydrogen 3.325 N/A LEU 169.A N PHE 165.A O no hydrogen 2.942 N/A LEU 170.A N VAL 166.A O no hydrogen 2.962 N/A GLU 171.A N ARG 167.A O no hydrogen 3.384 N/A ALA 172.A N GLY 168.A O no hydrogen 2.975 N/A GLY 173.A N LEU 169.A O no hydrogen 2.771 N/A LYS 174.A N GLU 171.A O no hydrogen 3.197 N/A LEU 177.A N GLY 173.A O no hydrogen 2.982 N/A GLU 178.A N LYS 174.A O no hydrogen 2.986 N/A LYS 179.A N ASP 176.A O no hydrogen 3.139 N/A LYS 179.A NZ GLU 231.A O no hydrogen 3.279 N/A GLU 181.A N TYR 202.A O no hydrogen 3.022 N/A VAL 184.A N SER 199.A O no hydrogen 2.749 N/A TRP 186.A N HIS 197.A O no hydrogen 3.012 N/A SER 188.A N VAL 195.A O no hydrogen 3.282 N/A SER 188.A OG HIS 197.A NE2 no hydrogen 2.611 N/A VAL 190.A N GLN 193.A O no hydrogen 2.939 N/A GLN 193.A N VAL 190.A O no hydrogen 3.145 N/A LEU 194.A N LEU 239.A O no hydrogen 3.165 N/A VAL 195.A N SER 188.A O no hydrogen 2.803 N/A CYS 196.A N ALA 237.A O no hydrogen 2.860 N/A HIS 197.A N TRP 186.A O no hydrogen 2.861 N/A HIS 197.A ND1 TYR 234.A OH no hydrogen 2.680 N/A HIS 197.A NE2 SER 188.A OG no hydrogen 2.611 N/A VAL 198.A N LEU 235.A O no hydrogen 2.824 N/A SER 199.A N VAL 184.A O no hydrogen 2.836 N/A GLY 200.A N TRP 233.A O no hydrogen 2.880 N/A TYR 202.A N GLU 181.A O no hydrogen 3.019 N/A TYR 202.A OH ASP 28.A OD1 no hydrogen 2.678 N/A TRP 207.A N LYS 254.A O no hydrogen 3.042 N/A MET 209.A N ARG 252.A O no hydrogen 3.027 N/A TRP 210.A NE1 ALA 237.A O no hydrogen 3.097 N/A MET 211.A N ALA 250.A O no hydrogen 2.794 N/A ARG 212.A N GLN 215.A O no hydrogen 3.279 N/A ARG 212.A NH2 ALA 247.A O no hydrogen 3.414 N/A GLN 215.A N ARG 212.A O no hydrogen 3.301 N/A GLN 217.A N TRP 210.A O no hydrogen 3.083 N/A THR 220.A OG1 GLN 217.A O no hydrogen 2.886 N/A HIS 221.A N THR 238.A O no hydrogen 2.597 N/A GLY 223.A N GLN 236.A O no hydrogen 2.851 N/A LEU 226.A N TYR 234.A O no hydrogen 2.692 N/A ASN 228.A N THR 232.A O no hydrogen 3.086 N/A ASN 228.A ND2 SER 199.A OG no hydrogen 3.399 N/A ASN 228.A ND2 THR 232.A OG1 no hydrogen 3.061 N/A THR 232.A OG1 ASP 230.A OD1 no hydrogen 2.710 N/A TRP 233.A N PHE 201.A O no hydrogen 2.992 N/A TRP 233.A NE1 ASP 28.A OD2 no hydrogen 3.231 N/A TYR 234.A N LEU 226.A O no hydrogen 2.597 N/A TYR 234.A OH GLN 236.A OE1 no hydrogen 2.915 N/A LEU 235.A N VAL 198.A O no hydrogen 2.847 N/A ALA 237.A N CYS 196.A O no hydrogen 3.031 N/A THR 238.A N HIS 221.A O no hydrogen 2.824 N/A THR 238.A OG1 HIS 221.A O no hydrogen 3.466 N/A LEU 239.A N LEU 194.A O no hydrogen 3.107 N/A VAL 241.A N ARG 192.A O no hydrogen 3.229 N/A GLU 245.A N GLU 246.A OE1 no hydrogen 3.223 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 2.810 N/A LEU 249.A N GLU 246.A O no hydrogen 3.120 N/A ALA 250.A N MET 211.A O no hydrogen 2.760 N/A CYS 251.A N LEU 265.A O no hydrogen 2.994 N/A ARG 252.A N MET 209.A O no hydrogen 2.807 N/A ARG 252.A NE ASP 262.A OD2 no hydrogen 2.923 N/A ARG 252.A NH2 ASP 262.A OD2 no hydrogen 3.139 N/A VAL 253.A N ILE 263.A O no hydrogen 2.882 N/A LYS 254.A N TRP 207.A O no hydrogen 2.978 N/A LYS 254.A NZ ASP 262.A OD2 no hydrogen 2.928 N/A HIS 255.A ND1 SER 257.A OG no hydrogen 2.745 N/A HIS 255.A NE2 PRO 203.A O no hydrogen 2.777 N/A SER 256.A OG GLN 180.A OE1 no hydrogen 2.698 N/A SER 257.A N HIS 255.A ND1 no hydrogen 3.169 N/A SER 257.A OG GLU 181.A O no hydrogen 3.470 N/A SER 257.A OG HIS 255.A ND1 no hydrogen 2.745 N/A LEU 258.A N HIS 255.A O no hydrogen 3.020 N/A ILE 263.A N VAL 253.A O no hydrogen 3.006 N/A LEU 265.A N CYS 251.A O no hydrogen 2.994 N/A TRP 267.A N LEU 249.A O no hydrogen 3.400 N/A