Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ath_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N LEU 16.A O no hydrogen 3.083 N/A ALA 5.A N VAL 14.A O no hydrogen 2.952 N/A ASN 7.A N GLU 12.A O no hydrogen 2.785 N/A LEU 9.A N ASN 7.A OD1 no hydrogen 2.975 N/A GLY 11.A N ASN 7.A O no hydrogen 2.625 N/A VAL 14.A N ALA 5.A O no hydrogen 2.813 N/A ALA 15.A N PHE 60.A O no hydrogen 2.872 N/A LEU 16.A N TYR 3.A O no hydrogen 2.653 N/A LYS 17.A N LEU 58.A O no hydrogen 2.789 N/A LYS 17.A NZ GLU 31.A OE1 no hydrogen 3.303 N/A LYS 17.A NZ GLU 31.A OE2 no hydrogen 3.267 N/A ILE 19.A N LEU 56.A O no hydrogen 2.789 N/A LEU 21.A N ASN 54.A O no hydrogen 2.768 N/A ILE 29.A N PRO 25.A O no hydrogen 2.931 N/A ARG 30.A N SER 26.A O no hydrogen 2.946 N/A GLU 31.A N THR 27.A O no hydrogen 2.919 N/A ILE 32.A N ALA 28.A O no hydrogen 2.976 N/A SER 33.A N ILE 29.A O no hydrogen 3.093 N/A SER 33.A OG ILE 29.A O no hydrogen 2.837 N/A SER 33.A OG ARG 30.A O no hydrogen 3.379 N/A LEU 34.A N ARG 30.A O no hydrogen 2.912 N/A LEU 35.A N GLU 31.A O no hydrogen 2.940 N/A LYS 36.A N ILE 32.A O no hydrogen 3.094 N/A GLU 37.A N LEU 34.A O no hydrogen 2.995 N/A LEU 38.A N LEU 35.A O no hydrogen 3.033 N/A ASN 42.A N HIS 40.A ND1 no hydrogen 2.920 N/A ASN 42.A ND2 GLN 90.A OE1 no hydrogen 3.038 N/A ASN 42.A ND2 ILE 121.A O no hydrogen 2.958 N/A ILE 43.A N HIS 40.A O no hydrogen 3.051 N/A VAL 44.A N LEU 123.A O no hydrogen 2.927 N/A LYS 45.A N GLU 61.A OE1 no hydrogen 2.838 N/A LEU 47.A N VAL 59.A O no hydrogen 2.631 N/A ASP 48.A N VAL 59.A O no hydrogen 3.345 N/A VAL 49.A N ASP 48.A OD1 no hydrogen 2.798 N/A ILE 50.A N TYR 57.A O no hydrogen 2.747 N/A THR 52.A N LYS 55.A O no hydrogen 2.759 N/A THR 52.A OG1 LYS 55.A O no hydrogen 2.909 N/A LYS 55.A N THR 52.A OG1 no hydrogen 3.109 N/A LEU 56.A N ILE 19.A O no hydrogen 2.731 N/A TYR 57.A N ILE 50.A O no hydrogen 2.697 N/A LEU 58.A N LYS 17.A O no hydrogen 2.854 N/A VAL 59.A N ASP 48.A O no hydrogen 2.980 N/A PHE 60.A N ALA 15.A O no hydrogen 2.901 N/A GLU 61.A N LYS 45.A O no hydrogen 3.017 N/A PHE 62.A N VAL 13.A O no hydrogen 3.089 N/A GLN 65.A N ILE 115.A O no hydrogen 3.442 N/A LEU 67.A N LEU 113.A O no hydrogen 2.826 N/A LYS 68.A NZ.A ASP 72.A OD1 no hydrogen 3.055 N/A LYS 69.A N ASP 66.A OD1 no hydrogen 2.974 N/A LYS 69.A NZ ASP 66.A OD2 no hydrogen 3.165 N/A PHE 70.A N ASP 66.A O no hydrogen 3.152 N/A MET 71.A N LEU 67.A O no hydrogen 2.869 N/A ASP 72.A N LYS 68.A O no hydrogen 2.925 N/A ALA 73.A N LYS 69.A O no hydrogen 2.837 N/A SER 74.A N PHE 70.A O no hydrogen 2.911 N/A SER 74.A OG SER 74.A O no hydrogen 2.618 N/A SER 74.A OG THR 77.A O no hydrogen 2.493 N/A SER 74.A OG HIS 274.A NE2 no hydrogen 3.047 N/A ALA 75.A N ASP 72.A O no hydrogen 3.152 N/A THR 77.A N SER 74.A O no hydrogen 3.121 N/A LEU 83.A N PRO 80.A O no hydrogen 2.935 N/A ILE 84.A N PRO 80.A O no hydrogen 3.098 N/A LYS 85.A N LEU 81.A O no hydrogen 2.827 N/A LYS 85.A NZ PHE 264.A O no hydrogen 3.154 N/A LYS 85.A NZ ASP 267.A OD1 no hydrogen 2.701 N/A SER 86.A N PRO 82.A O no hydrogen 2.925 N/A SER 86.A OG THR 269.A O no hydrogen 3.282 N/A TYR 87.A N LEU 83.A O no hydrogen 2.823 N/A LEU 88.A N ILE 84.A O no hydrogen 2.943 N/A PHE 89.A N LYS 85.A O no hydrogen 3.004 N/A GLN 90.A N SER 86.A O no hydrogen 3.000 N/A GLN 90.A NE2 SER 86.A O no hydrogen 3.450 N/A GLN 90.A NE2 SER 86.A OG no hydrogen 3.053 N/A GLN 90.A NE2 GLY 119.A O no hydrogen 2.869 N/A LEU 91.A N TYR 87.A O no hydrogen 2.874 N/A LEU 92.A N LEU 88.A O no hydrogen 2.899 N/A GLN 93.A N PHE 89.A O no hydrogen 3.090 N/A GLN 93.A NE2 PHE 89.A O no hydrogen 3.662 N/A GLY 94.A N GLN 90.A O no hydrogen 3.011 N/A LEU 95.A N LEU 91.A O no hydrogen 2.896 N/A ALA 96.A N LEU 92.A O no hydrogen 2.805 N/A PHE 97.A N GLN 93.A O no hydrogen 3.127 N/A CYS 98.A N GLY 94.A O no hydrogen 3.093 N/A CYS 98.A SG GLY 94.A O no hydrogen 3.482 N/A HIS 99.A N LEU 95.A O no hydrogen 2.920 N/A HIS 99.A NE2 ASP 164.A OD2 no hydrogen 2.940 N/A SER 100.A N ALA 96.A O no hydrogen 2.867 N/A SER 100.A OG ALA 96.A O no hydrogen 3.064 N/A HIS 101.A N PHE 97.A O no hydrogen 3.074 N/A HIS 101.A N CYS 98.A O no hydrogen 2.980 N/A HIS 101.A ND1 PHE 97.A O no hydrogen 2.688 N/A ARG 102.A N HIS 99.A O no hydrogen 3.120 N/A ARG 102.A NH1 GLU 37.A OE1 no hydrogen 3.000 N/A ARG 102.A NH1 HIS 101.A O no hydrogen 2.889 N/A ARG 102.A NH2 GLU 37.A OE1 no hydrogen 3.009 N/A ARG 102.A NH2 GLU 37.A OE2 no hydrogen 3.485 N/A VAL 103.A N CYS 98.A O no hydrogen 2.998 N/A LEU 104.A N ARG 130.A O no hydrogen 2.960 N/A HIS 105.A N ASP 164.A OD2 no hydrogen 2.934 N/A HIS 105.A NE2 ALA 124.A O no hydrogen 2.871 N/A ARG 106.A N ASP 164.A OD1 no hydrogen 2.921 N/A ARG 106.A NE LEU 128.A O no hydrogen 2.920 N/A ARG 106.A NH1 TYR 159.A OH no hydrogen 2.830 N/A ARG 106.A NH2 LEU 128.A O no hydrogen 3.037 N/A ASP 107.A N HIS 105.A ND1 no hydrogen 3.017 N/A LYS 109.A NZ THR 144.A OG1 no hydrogen 3.148 N/A GLN 111.A N GLN 111.A OE1 no hydrogen 2.736 N/A ASN 112.A N LYS 109.A O no hydrogen 2.788 N/A ASN 112.A ND2 ASP 107.A O no hydrogen 2.862 N/A ASN 112.A ND2 ASP 107.A OD2 no hydrogen 3.267 N/A LEU 113.A N PRO 110.A O no hydrogen 3.199 N/A LEU 114.A N LYS 122.A O no hydrogen 2.935 N/A ILE 115.A N GLN 65.A O no hydrogen 2.786 N/A ASN 116.A N ALA 120.A O no hydrogen 3.196 N/A GLU 118.A N ASN 116.A OD1 no hydrogen 3.049 N/A GLY 119.A N ASN 116.A O no hydrogen 3.437 N/A ALA 120.A N ASN 116.A OD1 no hydrogen 2.934 N/A ILE 121.A N GLN 90.A OE1 no hydrogen 3.099 N/A LYS 122.A N LEU 114.A O no hydrogen 2.779 N/A LYS 122.A NZ PRO 41.A O no hydrogen 3.167 N/A LYS 122.A NZ GLU 61.A OE1 no hydrogen 3.351 N/A LYS 122.A NZ GLU 61.A OE2 no hydrogen 2.930 N/A LEU 123.A N ASN 42.A O no hydrogen 2.895 N/A ALA 124.A N ASN 112.A O no hydrogen 2.894 N/A GLY 127.A N ASP 125.A OD1 no hydrogen 3.448 N/A ALA 129.A N PHE 126.A O no hydrogen 3.031 N/A ARG 130.A N LEU 104.A O no hydrogen 3.036 N/A PHE 132.A N ARG 102.A O no hydrogen 2.800 N/A GLY 133.A N TYR 139.A OH no hydrogen 3.065 N/A ARG 137.A N TYR 139.A OH no hydrogen 3.401 N/A THR 138.A OG1 LYS 157.A O no hydrogen 2.839 N/A THR 144.A N ASP 107.A OD1 no hydrogen 3.374 N/A THR 144.A OG1 ASP 107.A OD1 no hydrogen 2.753 N/A TRP 146.A NE1 GLY 184.A O no hydrogen 2.846 N/A TYR 147.A N THR 144.A O no hydrogen 2.853 N/A TYR 147.A OH GLU 174.A OE1 no hydrogen 2.681 N/A TYR 147.A OH GLU 174.A OE2 no hydrogen 3.420 N/A ARG 148.A N LEU 145.A O no hydrogen 3.067 N/A ARG 148.A NE VAL 143.A O no hydrogen 2.825 N/A ARG 148.A NH2 VAL 143.A O no hydrogen 2.772 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.745 N/A ILE 152.A N ALA 149.A O no hydrogen 3.036 N/A LEU 153.A N ALA 149.A O no hydrogen 3.178 N/A LEU 154.A N PRO 150.A O no hydrogen 2.850 N/A GLY 155.A N ILE 152.A O no hydrogen 3.008 N/A CYS 156.A N GLU 151.A O no hydrogen 2.939 N/A CYS 156.A SG GLU 151.A O no hydrogen 2.909 N/A CYS 156.A SG TYR 158.A O no hydrogen 3.143 N/A LYS 157.A NZ THR 138.A OG1 no hydrogen 3.027 N/A VAL 163.A N SER 160.A O no hydrogen 3.047 N/A ASP 164.A N THR 161.A O no hydrogen 3.041 N/A TRP 166.A N ALA 162.A O no hydrogen 2.992 N/A SER 167.A N VAL 163.A O no hydrogen 3.333 N/A SER 167.A OG TYR 147.A O no hydrogen 2.779 N/A SER 167.A OG VAL 163.A O no hydrogen 3.306 N/A LEU 168.A N ASP 164.A O no hydrogen 2.958 N/A GLY 169.A N ILE 165.A O no hydrogen 2.834 N/A CYS 170.A N TRP 166.A O no hydrogen 3.011 N/A CYS 170.A SG TRP 146.A O no hydrogen 4.033 N/A CYS 170.A SG TRP 166.A O no hydrogen 3.499 N/A ILE 171.A N SER 167.A O no hydrogen 2.984 N/A PHE 172.A N LEU 168.A O no hydrogen 2.876 N/A ALA 173.A N GLY 169.A O no hydrogen 3.075 N/A GLU 174.A N CYS 170.A O no hydrogen 3.029 N/A MET 175.A N ILE 171.A O no hydrogen 2.885 N/A VAL 176.A N PHE 172.A O no hydrogen 3.332 N/A VAL 176.A N ALA 173.A O no hydrogen 3.135 N/A THR 177.A N ALA 173.A O no hydrogen 3.245 N/A THR 177.A OG1 ALA 173.A O no hydrogen 3.375 N/A THR 177.A OG1 ARG 179.A O no hydrogen 2.987 N/A ARG 178.A N GLU 174.A O no hydrogen 2.535 N/A ARG 178.A NE SER 74.A O no hydrogen 2.865 N/A ARG 178.A NE ALA 75.A O no hydrogen 3.410 N/A ARG 178.A NH2 ALA 75.A O no hydrogen 3.050 N/A ARG 179.A N THR 177.A OG1 no hydrogen 3.131 N/A ARG 179.A NH1 ALA 75.A O no hydrogen 2.883 N/A ARG 179.A NH1 THR 177.A O no hydrogen 3.286 N/A GLY 184.A N PHE 182.A O no hydrogen 3.006 N/A GLY 184.A N GLN 190.A OE1 no hydrogen 2.845 N/A ASP 185.A N ASP 189.A OD2 no hydrogen 2.856 N/A ASP 189.A N SER 186.A OG no hydrogen 3.166 N/A GLN 190.A N SER 186.A O no hydrogen 2.759 N/A GLN 190.A NE2 TRP 146.A O no hydrogen 3.382 N/A GLN 190.A NE2 PHE 182.A O no hydrogen 2.870 N/A LEU 191.A N GLU 187.A O no hydrogen 3.017 N/A PHE 192.A N ILE 188.A O no hydrogen 2.921 N/A ARG 193.A N ASP 189.A O no hydrogen 2.879 N/A ARG 193.A NE ASP 189.A OD2 no hydrogen 2.879 N/A ARG 193.A NH2 ASP 185.A OD2 no hydrogen 3.125 N/A ARG 193.A NH2 ASP 189.A OD2 no hydrogen 3.370 N/A ILE 194.A N GLN 190.A O no hydrogen 3.099 N/A PHE 195.A N LEU 191.A O no hydrogen 2.905 N/A ARG 196.A N PHE 192.A O no hydrogen 2.861 N/A THR 197.A N ARG 193.A O no hydrogen 3.296 N/A THR 197.A N ILE 194.A O no hydrogen 3.064 N/A THR 197.A OG1 ARG 193.A O no hydrogen 3.190 N/A LEU 198.A N ILE 194.A O no hydrogen 2.784 N/A THR 200.A N TRP 222.A O no hydrogen 2.948 N/A THR 200.A OG1 PRO 220.A O no hydrogen 2.698 N/A VAL 205.A N ASP 202.A OD1 no hydrogen 2.921 N/A TRP 206.A N ASP 202.A O no hydrogen 2.824 N/A GLY 208.A N GLU 203.A OE1 no hydrogen 2.716 N/A VAL 209.A N TRP 206.A O no hydrogen 3.021 N/A THR 210.A N GLU 203.A OE2 no hydrogen 2.925 N/A THR 210.A OG1 GLU 203.A OE2 no hydrogen 2.521 N/A SER 211.A N GLY 208.A O no hydrogen 2.913 N/A MET 212.A N VAL 209.A O no hydrogen 3.156 N/A ASP 214.A N LEU 154.A O no hydrogen 2.920 N/A TYR 215.A N MET 212.A O no hydrogen 3.032 N/A PHE 219.A N LYS 216.A O no hydrogen 3.005 N/A TRP 222.A N THR 200.A OG1 no hydrogen 2.932 N/A ARG 224.A NH1 LEU 198.A O no hydrogen 2.903 N/A LYS 229.A N ASP 226.A O no hydrogen 2.932 N/A LYS 229.A NZ SER 228.A OG no hydrogen 3.129 N/A VAL 230.A N ASP 226.A O no hydrogen 3.290 N/A VAL 230.A N PHE 227.A O no hydrogen 3.086 N/A VAL 231.A N PHE 227.A O no hydrogen 3.118 N/A LEU 234.A N VAL 231.A O no hydrogen 3.068 N/A GLY 238.A N ASP 235.A OD1 no hydrogen 2.818 N/A ARG 239.A N ASP 235.A O no hydrogen 2.863 N/A ARG 239.A NH1 LEU 234.A O no hydrogen 2.894 N/A SER 240.A N GLU 236.A O no hydrogen 3.000 N/A SER 240.A OG HIS 262.A NE2 no hydrogen 2.993 N/A LEU 241.A N ASP 237.A O no hydrogen 3.054 N/A LEU 242.A N GLY 238.A O no hydrogen 2.924 N/A SER 243.A N ARG 239.A O no hydrogen 2.883 N/A SER 243.A OG ARG 239.A O no hydrogen 3.315 N/A SER 243.A OG SER 240.A O no hydrogen 2.727 N/A GLN 244.A N SER 240.A O no hydrogen 3.220 N/A GLN 244.A N LEU 241.A O no hydrogen 3.027 N/A GLN 244.A NE2 SER 240.A O no hydrogen 3.360 N/A GLN 244.A NE2 SER 240.A OG no hydrogen 3.098 N/A MET 245.A N LEU 241.A O no hydrogen 3.061 N/A LEU 246.A N LEU 242.A O no hydrogen 3.082 N/A TYR 248.A OH GLY 199.A O no hydrogen 2.554 N/A ASN 251.A N ASP 249.A OD1 no hydrogen 3.137 N/A LYS 252.A N ASP 249.A O no hydrogen 2.871 N/A ARG 253.A N ASP 249.A O no hydrogen 3.000 N/A ARG 253.A NE HIS 247.A O no hydrogen 2.759 N/A ARG 253.A NH1 GLU 151.A OE1 no hydrogen 3.455 N/A ARG 253.A NH1 GLU 151.A OE2 no hydrogen 2.925 N/A ARG 253.A NH1 ALA 162.A O no hydrogen 2.934 N/A ARG 253.A NH2 GLU 151.A OE1 no hydrogen 2.893 N/A ARG 253.A NH2 HIS 247.A O no hydrogen 3.173 N/A ARG 253.A NH2 TYR 248.A O no hydrogen 2.918 N/A ILE 254.A N GLN 244.A O no hydrogen 2.989 N/A ALA 258.A N SER 255.A OG no hydrogen 3.068 N/A ALA 259.A N SER 255.A O no hydrogen 2.914 N/A LEU 260.A N ALA 256.A O no hydrogen 3.261 N/A ALA 261.A N ALA 258.A O no hydrogen 3.182 N/A HIS 262.A N ALA 259.A O no hydrogen 3.018 N/A HIS 262.A NE2 SER 240.A OG no hydrogen 2.993 N/A PHE 264.A N HIS 262.A ND1 no hydrogen 2.957 N/A PHE 265.A N HIS 262.A O no hydrogen 3.015 N/A GLN 266.A N PRO 263.A O no hydrogen 3.037 N/A VAL 268.A N PHE 265.A O no hydrogen 3.171 N/A HIS 274.A N HIS 274.A ND1 no hydrogen 2.956 N/A HIS 274.A NE2 SER 74.A OG no hydrogen 3.047 N/A