Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N CYS 94.A O no hydrogen 2.813 N/A ARG 5.A N TRP 25.A O no hydrogen 2.852 N/A CYS 6.A N.A ALA 92.A O no hydrogen 2.640 N/A CYS 6.A N.B ALA 92.A O no hydrogen 2.632 N/A LEU 7.A N VAL 23.A O.A no hydrogen 2.830 N/A LEU 7.A N VAL 23.A O.B no hydrogen 2.960 N/A GLN 8.A N LEU 90.A O no hydrogen 2.819 N/A GLN 8.A NE2 SER 10.A OG no hydrogen 2.845 N/A MET 9.A N.A ASP 21.A O no hydrogen 2.749 N/A MET 9.A N.B ASP 21.A O no hydrogen 2.765 N/A SER 10.A N ILE 88.A O no hydrogen 2.820 N/A SER 10.A OG THR 20.A OG1 no hydrogen 2.872 N/A SER 11.A N ARG 19.A O no hydrogen 2.856 N/A SER 11.A OG GLU 87.A OE1 no hydrogen 3.416 N/A SER 11.A OG GLU 87.A OE2 no hydrogen 2.585 N/A PHE 12.A N ILE 86.A O no hydrogen 2.739 N/A ALA 13.A N TRP 17.A O no hydrogen 2.971 N/A SER 16.A N ASN 14.A OD1 no hydrogen 2.959 N/A ARG 19.A N SER 11.A O no hydrogen 2.917 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.715 N/A ARG 19.A NH2 ASP 21.A OD1 no hydrogen 3.378 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 2.819 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.899 N/A THR 20.A OG1 SER 10.A OG no hydrogen 2.872 N/A ASP 21.A N MET 9.A O.A no hydrogen 2.954 N/A ASP 21.A N MET 9.A O.B no hydrogen 2.983 N/A SER 22.A N TRP 34.A O no hydrogen 2.985 N/A VAL 23.A N.A LEU 7.A O no hydrogen 2.938 N/A VAL 23.A N.B LEU 7.A O no hydrogen 2.942 N/A VAL 24.A N HIS 32.A O no hydrogen 3.010 N/A TRP 25.A N ARG 5.A O no hydrogen 2.838 N/A LEU 26.A N LEU 29.A O no hydrogen 2.915 N/A GLY 27.A N THR 3.A O no hydrogen 2.773 N/A LEU 29.A N LEU 26.A O no hydrogen 3.007 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.243 N/A THR 31.A N VAL 24.A O no hydrogen 2.800 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.320 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.790 N/A HIS 32.A N VAL 24.A O no hydrogen 3.411 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.790 N/A HIS 32.A NE2 SER 48.A O no hydrogen 2.807 N/A ARG 33.A N SER 42.A O no hydrogen 3.035 N/A TRP 34.A N SER 22.A O no hydrogen 2.802 N/A TRP 34.A NE1 SER 38.A O no hydrogen 2.983 N/A ASN 36.A N ASP 21.A OD2 no hydrogen 2.786 N/A ASP 37.A N SER 35.A OG.A no hydrogen 3.195 N/A SER 38.A N SER 35.A O.A no hydrogen 3.163 N/A SER 38.A N SER 35.A O.B no hydrogen 3.028 N/A SER 38.A OG THR 40.A O no hydrogen 2.624 N/A THR 40.A N SER 38.A OG no hydrogen 3.189 N/A ILE 41.A N GLN 61.A OE1 no hydrogen 2.890 N/A SER 42.A N ARG 33.A O no hydrogen 2.814 N/A THR 44.A N THR 31.A O no hydrogen 2.989 N/A THR 44.A OG1 GLN 30.A O no hydrogen 2.909 N/A LYS 45.A N SER 48.A OG no hydrogen 2.993 N/A LYS 45.A NZ GLN 30.A O no hydrogen 2.813 N/A LYS 45.A NZ THR 44.A O no hydrogen 3.184 N/A LYS 45.A NZ GLU 227.A OE1 no hydrogen 2.666 N/A LYS 45.A NZ GLU 227.A OE2 no hydrogen 3.462 N/A TRP 47.A NE1 ASP 168.A OD2 no hydrogen 2.663 N/A SER 48.A N LYS 45.A O no hydrogen 3.334 N/A SER 48.A OG THR 31.A O no hydrogen 2.617 N/A SER 48.A OG LYS 45.A O no hydrogen 3.118 N/A GLN 49.A NE2 LEU 52.A O no hydrogen 2.785 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 2.977 N/A GLY 50.A N TRP 47.A O no hydrogen 2.901 N/A LEU 52.A N GLN 49.A O no hydrogen 3.138 N/A SER 53.A N GLN 56.A OE1 no hydrogen 3.023 N/A GLN 56.A N SER 53.A OG no hydrogen 2.978 N/A TRP 57.A N SER 53.A O no hydrogen 2.900 N/A GLU 58.A N.A ASN 54.A O no hydrogen 2.836 N/A GLU 58.A N.B ASN 54.A O no hydrogen 2.845 N/A LEU 60.A N GLN 56.A O no hydrogen 3.107 N/A HIS 62.A N GLU 58.A O.A no hydrogen 2.833 N/A HIS 62.A N GLU 58.A O.B no hydrogen 2.921 N/A MET 63.A N.A LYS 59.A O no hydrogen 3.104 N/A MET 63.A N.B LYS 59.A O no hydrogen 3.132 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 2.885 N/A GLN 65.A NE2 ALA 39.A O no hydrogen 2.819 N/A VAL 66.A N HIS 62.A O no hydrogen 2.934 N/A TYR 67.A N MET 63.A O.A no hydrogen 2.919 N/A TYR 67.A N MET 63.A O.B no hydrogen 2.991 N/A TYR 67.A OH GLN 8.A OE1 no hydrogen 2.622 N/A ARG 68.A N PHE 64.A O no hydrogen 2.759 N/A ARG 68.A NH1 SER 35.A O.A no hydrogen 2.968 N/A ARG 68.A NH1 SER 35.A O.B no hydrogen 3.137 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.254 N/A ARG 68.A NH2 SER 38.A O no hydrogen 2.940 N/A VAL 69.A N GLN 65.A O no hydrogen 3.426 N/A SER 70.A N.A VAL 66.A O no hydrogen 2.935 N/A SER 70.A N.B VAL 66.A O no hydrogen 2.955 N/A SER 70.A OG.A VAL 66.A O no hydrogen 3.097 N/A SER 70.A OG.B VAL 66.A O no hydrogen 2.807 N/A SER 70.A OG.B TYR 67.A O no hydrogen 3.238 N/A PHE 71.A N TYR 67.A O no hydrogen 2.770 N/A THR 72.A N ARG 68.A O no hydrogen 3.259 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.996 N/A ARG 73.A N VAL 69.A O no hydrogen 3.117 N/A ARG 73.A NH1 ASP 74.A OD1 no hydrogen 3.070 N/A ASP 74.A N SER 70.A O.A no hydrogen 2.787 N/A ASP 74.A N SER 70.A O.B no hydrogen 2.859 N/A ILE 75.A N PHE 71.A O no hydrogen 2.942 N/A GLN 76.A N THR 72.A O no hydrogen 3.107 N/A GLN 76.A NE2 ASN 14.A O no hydrogen 3.124 N/A GLU 77.A N ARG 73.A O no hydrogen 2.968 N/A LEU 78.A N ASP 74.A O no hydrogen 2.911 N/A VAL 79.A N ILE 75.A O no hydrogen 3.016 N/A LYS 80.A N GLN 76.A O no hydrogen 3.135 N/A MET 81.A N GLU 77.A O no hydrogen 2.913 N/A MET 82.A N LEU 78.A O no hydrogen 3.117 N/A MET 82.A N VAL 79.A O no hydrogen 3.191 N/A TYR 84.A OH GLN 76.A OE1 no hydrogen 2.505 N/A ILE 86.A N PHE 12.A O no hydrogen 2.825 N/A GLU 87.A N GLN 107.A OE1 no hydrogen 2.853 N/A ILE 88.A N SER 10.A O no hydrogen 2.877 N/A GLN 89.A N ALA 105.A O no hydrogen 2.913 N/A LEU 90.A N GLN 8.A O no hydrogen 2.933 N/A SER 91.A N HIS 103.A O.A no hydrogen 2.804 N/A SER 91.A N HIS 103.A O.B no hydrogen 2.845 N/A ALA 92.A N CYS 6.A O.A no hydrogen 2.953 N/A ALA 92.A N CYS 6.A O.B no hydrogen 2.905 N/A GLY 93.A N PHE 101.A O no hydrogen 3.006 N/A CYS 94.A N PHE 4.A O no hydrogen 3.135 N/A GLU 95.A N GLU 99.A O no hydrogen 2.899 N/A MET 96.A N TYR 2.A O no hydrogen 3.040 N/A SER 98.A OG GLU 95.A O no hydrogen 3.158 N/A GLU 99.A N GLU 95.A O no hydrogen 2.940 N/A SER 100.A OG LEU 150.A O no hydrogen 2.496 N/A PHE 101.A N GLY 93.A O no hydrogen 2.901 N/A HIS 103.A N.A SER 91.A O no hydrogen 2.797 N/A HIS 103.A N.B SER 91.A O no hydrogen 2.793 N/A VAL 104.A N VAL 112.A O no hydrogen 2.785 N/A ALA 105.A N GLN 89.A O no hydrogen 2.822 N/A PHE 106.A N LYS 109.A O no hydrogen 2.883 N/A GLN 107.A N GLU 87.A O no hydrogen 2.857 N/A GLN 107.A NE2 PRO 85.A O no hydrogen 2.989 N/A LYS 109.A N PHE 106.A O no hydrogen 3.166 N/A VAL 111.A N VAL 104.A O no hydrogen 2.910 N/A VAL 112.A N VAL 104.A O no hydrogen 3.256 N/A ARG 113.A N GLN 120.A O no hydrogen 2.965 N/A ARG 113.A NE GLN 120.A OE1 no hydrogen 2.965 N/A ARG 113.A NH2 GLN 120.A OE1 no hydrogen 3.019 N/A PHE 114.A N LEU 102.A O no hydrogen 2.940 N/A TRP 115.A N SER 118.A O no hydrogen 2.877 N/A SER 118.A N TRP 115.A O no hydrogen 3.370 N/A TRP 119.A N ASN 137.A OD1 no hydrogen 2.867 N/A GLN 120.A N ARG 113.A O no hydrogen 2.838 N/A VAL 122.A N VAL 111.A O no hydrogen 2.957 N/A ALA 125.A N VAL 122.A O no hydrogen 3.034 N/A LEU 129.A N PRO 126.A O no hydrogen 3.147 N/A ASP 130.A N SER 127.A O no hydrogen 3.103 N/A ILE 133.A N LEU 129.A O no hydrogen 2.977 N/A LYS 134.A N.A ASP 130.A O no hydrogen 2.884 N/A LYS 134.A N.B ASP 130.A O no hydrogen 2.889 N/A VAL 135.A N LEU 131.A O no hydrogen 2.962 N/A LEU 136.A N PRO 132.A O no hydrogen 2.898 N/A ASN 137.A N ILE 133.A O no hydrogen 2.824 N/A ASN 137.A ND2 TRP 119.A O no hydrogen 2.885 N/A ALA 138.A N LYS 134.A O.A no hydrogen 3.096 N/A ALA 138.A N LYS 134.A O.B no hydrogen 3.217 N/A ALA 138.A N VAL 135.A O no hydrogen 3.177 N/A ASP 139.A N LEU 136.A O no hydrogen 3.051 N/A GLN 140.A N ALA 138.A O no hydrogen 3.095 N/A THR 142.A N ASP 139.A OD1 no hydrogen 3.117 N/A THR 142.A OG1 ASP 139.A OD2 no hydrogen 2.511 N/A SER 143.A N.A ASP 139.A O no hydrogen 3.039 N/A SER 143.A N.B ASP 139.A O no hydrogen 3.056 N/A SER 143.A OG.A THR 117.A O no hydrogen 2.773 N/A ALA 144.A N GLN 140.A O no hydrogen 2.806 N/A THR 145.A N GLY 141.A O no hydrogen 3.032 N/A THR 145.A OG1 GLY 141.A O no hydrogen 2.984 N/A VAL 146.A N THR 142.A O no hydrogen 2.959 N/A GLN 147.A N SER 143.A O.A no hydrogen 2.970 N/A GLN 147.A N SER 143.A O.B no hydrogen 3.008 N/A GLN 147.A NE2 SER 143.A O.A no hydrogen 3.525 N/A GLN 147.A NE2 SER 143.A O.B no hydrogen 3.322 N/A GLN 147.A NE2 SER 143.A OG.A no hydrogen 3.196 N/A MET 148.A N.A ALA 144.A O no hydrogen 3.008 N/A MET 148.A N.B ALA 144.A O no hydrogen 3.004 N/A LEU 149.A N THR 145.A O no hydrogen 2.946 N/A LEU 150.A N VAL 146.A O no hydrogen 2.950 N/A ASN 151.A N GLN 147.A O no hydrogen 2.812 N/A ASP 152.A N MET 148.A O.A no hydrogen 2.943 N/A ASP 152.A N MET 148.A O.B no hydrogen 2.829 N/A THR 153.A N MET 148.A O.A no hydrogen 2.995 N/A THR 153.A N MET 148.A O.B no hydrogen 3.038 N/A THR 153.A OG1 MET 148.A O.A no hydrogen 3.384 N/A THR 153.A OG1 MET 148.A O.B no hydrogen 3.544 N/A CYS 154.A N LEU 149.A O no hydrogen 2.820 N/A LEU 156.A N ASP 152.A O no hydrogen 3.274 N/A PHE 157.A N THR 153.A O no hydrogen 2.765 N/A VAL 158.A N CYS 154.A O no hydrogen 2.885 N/A ARG 159.A N PRO 155.A O no hydrogen 2.927 N/A GLY 160.A N LEU 156.A O no hydrogen 3.326 N/A LEU 161.A N PHE 157.A O no hydrogen 2.982 N/A LEU 162.A N VAL 158.A O no hydrogen 2.901 N/A GLU 163.A N ARG 159.A O no hydrogen 3.205 N/A ALA 164.A N GLY 160.A O no hydrogen 2.910 N/A GLY 165.A N LEU 161.A O no hydrogen 2.785 N/A LYS 166.A NZ GLU 170.A OE1.A no hydrogen 3.287 N/A LYS 166.A NZ GLU 170.A OE2.A no hydrogen 3.485 N/A LEU 169.A N GLY 165.A O no hydrogen 2.893 N/A GLU 170.A N.A LYS 166.A O no hydrogen 2.918 N/A GLU 170.A N.B LYS 166.A O no hydrogen 2.887 N/A LYS 171.A N ASP 168.A O no hydrogen 3.175 N/A LYS 171.A NZ GLU 227.A O no hydrogen 2.835 N/A GLU 173.A N TYR 198.A O no hydrogen 2.798 N/A VAL 176.A N SER 195.A O no hydrogen 2.906 N/A TRP 178.A N HIS 193.A O no hydrogen 3.003 N/A SER 180.A N VAL 191.A O no hydrogen 2.987 N/A SER 180.A OG HIS 193.A NE2 no hydrogen 2.795 N/A VAL 182.A N GLN 189.A O no hydrogen 3.085 N/A SER 184.A N HIS 187.A O no hydrogen 2.933 N/A SER 184.A OG ASP 236.A OD1.A no hydrogen 2.884 N/A SER 184.A OG ASP 236.A OD2.B no hydrogen 2.685 N/A ARG 188.A N.A VAL 237.A O no hydrogen 2.895 N/A ARG 188.A N.B VAL 237.A O no hydrogen 2.869 N/A ARG 188.A NE.B SER 181.A OG no hydrogen 2.680 N/A GLN 189.A N VAL 182.A O no hydrogen 2.780 N/A GLN 189.A NE2 ASP 236.A OD1.B no hydrogen 3.034 N/A LEU 190.A N LEU 235.A O no hydrogen 2.815 N/A VAL 191.A N SER 180.A O no hydrogen 2.748 N/A CYS 192.A N ALA 233.A O no hydrogen 2.838 N/A HIS 193.A N TRP 178.A O no hydrogen 2.800 N/A HIS 193.A ND1 TYR 230.A OH no hydrogen 2.883 N/A HIS 193.A NE2 SER 180.A OG no hydrogen 2.795 N/A VAL 194.A N LEU 231.A O.A no hydrogen 2.710 N/A VAL 194.A N LEU 231.A O.B no hydrogen 2.870 N/A SER 195.A N VAL 176.A O no hydrogen 2.843 N/A GLY 196.A N TRP 229.A O no hydrogen 2.735 N/A TYR 198.A N GLU 173.A O no hydrogen 3.032 N/A TYR 198.A OH ASP 28.A OD1 no hydrogen 2.644 N/A TRP 203.A N LYS 250.A O no hydrogen 3.050 N/A MET 205.A N.A ARG 248.A O no hydrogen 3.021 N/A MET 205.A N.B ARG 248.A O no hydrogen 3.025 N/A TRP 206.A N THR 216.A OG1 no hydrogen 3.002 N/A TRP 206.A NE1 ALA 233.A O no hydrogen 3.034 N/A MET 207.A N ALA 246.A O no hydrogen 2.680 N/A ARG 208.A N.A GLN 211.A O no hydrogen 2.896 N/A ARG 208.A N.B GLN 211.A O no hydrogen 2.879 N/A ARG 208.A NH1.B GLU 241.A O no hydrogen 3.213 N/A ARG 208.A NH1.B ALA 243.A O no hydrogen 3.105 N/A ARG 208.A NH2.B GLU 241.A O no hydrogen 2.490 N/A GLN 211.A N ARG 208.A O.A no hydrogen 3.229 N/A GLN 211.A N ARG 208.A O.B no hydrogen 3.061 N/A GLN 211.A NE2 ASP 210.A OD1 no hydrogen 2.692 N/A GLN 213.A N TRP 206.A O no hydrogen 2.871 N/A THR 216.A N GLN 213.A O no hydrogen 3.005 N/A THR 216.A OG1 GLN 213.A O no hydrogen 2.759 N/A HIS 217.A N THR 234.A O no hydrogen 2.815 N/A ARG 218.A NE.A GLY 219.A O no hydrogen 2.766 N/A ARG 218.A NH1.B VAL 202.A O no hydrogen 3.113 N/A ARG 218.A NH2.B VAL 202.A O no hydrogen 2.830 N/A GLY 219.A N GLN 232.A O no hydrogen 2.796 N/A LEU 222.A N TYR 230.A O no hydrogen 2.851 N/A ASN 224.A N THR 228.A O no hydrogen 2.914 N/A ASN 224.A ND2 SER 195.A OG no hydrogen 3.046 N/A ASN 224.A ND2 THR 228.A OG1 no hydrogen 3.090 N/A THR 228.A OG1 ASP 226.A OD1 no hydrogen 2.822 N/A TRP 229.A N PHE 197.A O no hydrogen 2.836 N/A TRP 229.A NE1 ASP 28.A OD2 no hydrogen 2.932 N/A TYR 230.A N LEU 222.A O no hydrogen 2.796 N/A TYR 230.A OH HIS 193.A ND1 no hydrogen 2.883 N/A TYR 230.A OH GLN 232.A OE1 no hydrogen 2.825 N/A LEU 231.A N.A VAL 194.A O no hydrogen 2.843 N/A LEU 231.A N.B VAL 194.A O no hydrogen 2.876 N/A ALA 233.A N CYS 192.A O no hydrogen 2.831 N/A THR 234.A N HIS 217.A O no hydrogen 2.918 N/A LEU 235.A N LEU 190.A O no hydrogen 2.835 N/A VAL 237.A N ARG 188.A O.A no hydrogen 2.798 N/A VAL 237.A N ARG 188.A O.B no hydrogen 2.778 N/A GLU 241.A N GLU 238.A O no hydrogen 3.110 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 3.108 N/A ALA 243.A N GLY 240.A O no hydrogen 3.399 N/A LEU 245.A N GLU 242.A O no hydrogen 3.232 N/A ALA 246.A N MET 207.A O no hydrogen 2.983 N/A CYS 247.A N LEU 261.A O no hydrogen 2.826 N/A CYS 247.A SG MET 205.A O.A no hydrogen 3.837 N/A ARG 248.A N MET 205.A O.A no hydrogen 2.783 N/A ARG 248.A N MET 205.A O.B no hydrogen 2.863 N/A ARG 248.A NE ASP 258.A OD2 no hydrogen 2.790 N/A ARG 248.A NH2 ASP 258.A OD2 no hydrogen 3.165 N/A VAL 249.A N ILE 259.A O no hydrogen 2.823 N/A LYS 250.A N TRP 203.A O no hydrogen 2.859 N/A LYS 250.A NZ ASP 258.A OD2 no hydrogen 2.736 N/A HIS 251.A ND1 SER 253.A OG no hydrogen 2.757 N/A HIS 251.A NE2 PRO 199.A O no hydrogen 2.854 N/A SER 252.A OG GLN 172.A OE1 no hydrogen 2.714 N/A SER 253.A N HIS 251.A ND1 no hydrogen 3.012 N/A SER 253.A OG GLU 173.A O no hydrogen 3.382 N/A SER 253.A OG HIS 251.A ND1 no hydrogen 2.757 N/A LEU 254.A N HIS 251.A O no hydrogen 2.966 N/A GLN 257.A N LEU 254.A O no hydrogen 3.229 N/A ILE 259.A N VAL 249.A O no hydrogen 2.995 N/A LEU 261.A N CYS 247.A O no hydrogen 2.985 N/A TRP 263.A N LEU 245.A O no hydrogen 2.869 N/A