Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ca0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N SER 45.A OG no hydrogen 3.094 N/A PHE 3.A N PHE 43.A O no hydrogen 3.076 N/A THR 4.A OG1 THR 42.A OG1 no hydrogen 2.753 N/A ARG 5.A N TRP 41.A O no hydrogen 2.898 N/A ARG 5.A NH1 THR 4.A O no hydrogen 2.977 N/A ASN 6.A N THR 126.A O no hydrogen 2.942 N/A ASN 6.A ND2 GLY 34.A O no hydrogen 2.823 N/A VAL 8.A N THR 124.A O no hydrogen 2.849 N/A GLY 9.A N LEU 13.A O no hydrogen 2.776 N/A ARG 10.A NH1 ALA 101.A O no hydrogen 2.826 N/A ASP 11.A N ASP 172.A OD2 no hydrogen 3.093 N/A GLY 12.A N GLY 9.A O no hydrogen 2.757 N/A LEU 13.A N ARG 10.A O no hydrogen 3.142 N/A CYS 14.A N TRP 31.A O no hydrogen 2.839 N/A CYS 14.A SG ILE 7.A O no hydrogen 3.760 N/A VAL 15.A N ILE 7.A O no hydrogen 2.911 N/A ASP 16.A N GLN 29.A O no hydrogen 2.905 N/A VAL 17.A N ASN 38.A O no hydrogen 2.905 N/A ASN 19.A ND2 TYR 21.A OH no hydrogen 3.189 N/A GLY 20.A N VAL 17.A O no hydrogen 2.984 N/A TYR 21.A N ARG 18.A O no hydrogen 2.909 N/A GLY 25.A N ILE 69.A O no hydrogen 2.840 N/A THR 26.A N THR 23.A O no hydrogen 3.052 N/A THR 26.A OG1 THR 23.A O no hydrogen 2.683 N/A LEU 28.A N ILE 67.A O no hydrogen 3.051 N/A GLN 29.A N ASP 16.A O no hydrogen 2.968 N/A GLN 29.A NE2 ASP 16.A OD2 no hydrogen 2.871 N/A LEU 30.A N THR 108.A O no hydrogen 2.900 N/A TRP 31.A N CYS 14.A O no hydrogen 3.009 N/A CYS 33.A SG GLY 12.A O no hydrogen 3.365 N/A GLY 34.A N GLN 39.A OE1 no hydrogen 2.751 N/A ASN 38.A ND2 VAL 17.A O no hydrogen 2.691 N/A GLN 39.A N GLN 36.A O no hydrogen 3.014 N/A GLN 39.A NE2 ASP 16.A OD1 no hydrogen 3.109 N/A GLN 39.A NE2 PRO 32.A O no hydrogen 2.849 N/A ARG 40.A N ARG 37.A O no hydrogen 3.085 N/A ARG 40.A NH1 ASN 6.A OD1 no hydrogen 2.778 N/A ARG 40.A NH1 ASN 127.A OD1 no hydrogen 2.772 N/A ARG 40.A NH2 ASN 127.A OD1 no hydrogen 3.210 N/A TRP 41.A N ARG 5.A O no hydrogen 2.813 N/A TRP 41.A NE1 VAL 15.A O no hydrogen 3.113 N/A THR 42.A N ARG 50.A O no hydrogen 2.821 N/A THR 42.A OG1 THR 4.A OG1 no hydrogen 2.753 N/A PHE 43.A N PHE 3.A O no hydrogen 2.780 N/A ASP 44.A N THR 48.A O no hydrogen 3.437 N/A SER 45.A N THR 1.A O no hydrogen 3.121 N/A SER 45.A OG THR 1.A O no hydrogen 3.457 N/A ASP 46.A N ASP 44.A OD2 no hydrogen 2.884 N/A ASP 47.A N ASP 44.A O no hydrogen 2.942 N/A THR 48.A N ASP 46.A OD1 no hydrogen 2.915 N/A THR 48.A OG1 ASP 46.A OD1 no hydrogen 2.627 N/A THR 48.A OG1 ASP 46.A OD2 no hydrogen 3.471 N/A ARG 50.A N THR 42.A O no hydrogen 2.906 N/A ARG 50.A NE THR 48.A OG1 no hydrogen 2.859 N/A ARG 50.A NH1 ASP 46.A OD2 no hydrogen 2.940 N/A ARG 50.A NH1 THR 48.A OG1 no hydrogen 3.420 N/A SER 51.A N LYS 54.A O no hydrogen 2.919 N/A SER 51.A OG ARG 37.A O no hydrogen 2.950 N/A SER 51.A OG ARG 40.A O no hydrogen 3.465 N/A LYS 54.A N SER 51.A O no hydrogen 2.980 N/A LYS 54.A NZ ASP 22.A O no hydrogen 2.618 N/A LYS 54.A NZ ASP 24.A OD2 no hydrogen 2.835 N/A CYS 55.A N PHE 70.A O no hydrogen 2.766 N/A MET 56.A N ILE 49.A O no hydrogen 2.799 N/A THR 57.A N VAL 68.A O no hydrogen 2.817 N/A THR 57.A OG1 CYS 55.A O no hydrogen 2.802 N/A ALA 58.A N ALA 79.A O no hydrogen 2.862 N/A ASN 59.A N ASN 66.A O no hydrogen 2.840 N/A GLY 64.A N LEU 112.A O no hydrogen 2.711 N/A SER 65.A N.A ASN 62.A O.A no hydrogen 3.239 N/A SER 65.A N.A ASN 62.A O.B no hydrogen 3.168 N/A SER 65.A N.B ASN 62.A O.A no hydrogen 3.247 N/A SER 65.A N.B ASN 62.A O.B no hydrogen 3.182 N/A SER 65.A OG.A ASN 62.A O.A no hydrogen 2.482 N/A SER 65.A OG.A ASN 62.A O.B no hydrogen 2.562 N/A SER 65.A OG.B GLY 60.A O no hydrogen 2.989 N/A SER 65.A OG.B ASN 62.A O.A no hydrogen 3.218 N/A SER 65.A OG.B ASN 62.A O.B no hydrogen 3.138 N/A ILE 67.A N LEU 110.A O no hydrogen 3.021 N/A VAL 68.A N THR 57.A O no hydrogen 2.856 N/A ILE 69.A N THR 26.A O no hydrogen 2.952 N/A PHE 70.A N CYS 55.A O no hydrogen 2.999 N/A ASN 71.A N ASP 24.A OD2 no hydrogen 2.847 N/A SER 73.A N ASN 71.A OD1 no hydrogen 2.898 N/A SER 73.A OG ASN 71.A OD1 no hydrogen 2.952 N/A THR 74.A N ASN 71.A OD1 no hydrogen 3.147 N/A ALA 75.A N ASN 71.A O no hydrogen 3.037 N/A ALA 79.A N ALA 76.A O no hydrogen 2.917 N/A ILE 80.A N GLU 77.A O no hydrogen 3.261 N/A LYS 81.A NZ GLU 77.A OE2 no hydrogen 2.586 N/A TRP 82.A N ASP 47.A O no hydrogen 2.918 N/A TRP 82.A NE1 MET 56.A O no hydrogen 2.863 N/A GLU 83.A N.A ILE 91.A O no hydrogen 2.850 N/A GLU 83.A N.B ILE 91.A O no hydrogen 2.831 N/A VAL 84.A N GLU 83.A OE1.A no hydrogen 2.786 N/A GLY 88.A N PRO 85.A O no hydrogen 3.303 N/A SER 89.A N ASP 87.A OD2 no hydrogen 3.056 N/A SER 89.A OG ASP 87.A OD2 no hydrogen 2.809 N/A ILE 91.A N GLU 83.A O.A no hydrogen 2.925 N/A ILE 91.A N GLU 83.A O.B no hydrogen 2.933 N/A ASN 92.A N LEU 97.A O no hydrogen 2.903 N/A ASN 92.A ND2 ASN 78.A O no hydrogen 2.990 N/A SER 95.A N ASN 92.A OD1 no hydrogen 2.979 N/A SER 95.A OG ASN 92.A O no hydrogen 3.429 N/A SER 95.A OG ASN 92.A OD1 no hydrogen 3.089 N/A GLY 96.A N ASN 92.A O no hydrogen 2.739 N/A LEU 97.A N SER 95.A OG no hydrogen 3.067 N/A VAL 98.A N GLU 113.A O no hydrogen 2.837 N/A MET 99.A N ILE 90.A O no hydrogen 2.834 N/A THR 100.A N LEU 111.A O no hydrogen 2.789 N/A THR 100.A OG1 VAL 98.A O no hydrogen 2.893 N/A ALA 101.A N SER 120.A O no hydrogen 2.875 N/A ARG 107.A N LEU 30.A O no hydrogen 2.769 N/A THR 108.A N ALA 105.A O no hydrogen 3.128 N/A THR 108.A OG1 ARG 103.A O.A no hydrogen 3.350 N/A THR 108.A OG1 ALA 105.A O no hydrogen 2.711 N/A LEU 110.A N LEU 28.A O no hydrogen 3.002 N/A LEU 111.A N THR 100.A O no hydrogen 2.983 N/A LEU 112.A N SER 65.A O.A no hydrogen 2.843 N/A LEU 112.A N SER 65.A O.B no hydrogen 2.816 N/A GLU 113.A N VAL 98.A O no hydrogen 3.040 N/A ASP 114.A N ASN 63.A OD1 no hydrogen 3.023 N/A ILE 116.A N GLN 121.A OE1 no hydrogen 2.927 N/A TYR 117.A N ASN 115.A OD1 no hydrogen 2.900 N/A ALA 118.A N GLN 121.A OE1 no hydrogen 3.256 N/A ALA 119.A N LEU 204.A O no hydrogen 3.218 N/A SER 120.A N GLY 203.A O no hydrogen 3.182 N/A GLN 121.A N ALA 118.A O no hydrogen 2.805 N/A GLN 121.A NE2 THR 100.A OG1 no hydrogen 2.998 N/A GLN 121.A NE2 ASP 114.A O no hydrogen 3.075 N/A GLY 122.A N ALA 119.A O no hydrogen 3.234 N/A TRP 123.A N GLY 88.A O no hydrogen 2.837 N/A TRP 123.A NE1 MET 99.A O no hydrogen 2.966 N/A THR 124.A N VAL 8.A O no hydrogen 2.776 N/A THR 124.A OG1 GLY 171.A O no hydrogen 2.674 N/A THR 126.A N ASN 6.A O no hydrogen 3.041 N/A ASN 128.A N THR 126.A OG1 no hydrogen 2.984 N/A LYS 130.A N ASN 128.A OD1 no hydrogen 2.885 N/A ILE 132.A N LEU 169.A O no hydrogen 3.373 N/A ALA 134.A N TRP 167.A O no hydrogen 2.813 N/A SER 135.A N GLN 254.A O no hydrogen 2.801 N/A VAL 137.A N VAL 252.A O no hydrogen 2.845 N/A GLY 138.A N MET 142.A O no hydrogen 2.841 N/A TYR 139.A OH SER 231.A O no hydrogen 3.414 N/A MET 142.A N TYR 139.A O no hydrogen 3.096 N/A CYS 143.A N GLU 156.A O no hydrogen 2.809 N/A LEU 144.A N ILE 136.A O no hydrogen 2.912 N/A GLN 145.A N TRP 154.A O no hydrogen 2.755 N/A GLN 145.A NE2 ASN 147.A OD1 no hydrogen 3.193 N/A SER 146.A N GLN 164.A O no hydrogen 2.945 N/A SER 146.A OG GLN 164.A O no hydrogen 2.937 N/A ASN 147.A ND2 GLY 152.A O no hydrogen 3.003 N/A ASN 150.A N ILE 198.A O no hydrogen 2.640 N/A ASN 151.A N GLY 148.A O no hydrogen 3.126 N/A ASN 151.A ND2 ASN 147.A O no hydrogen 2.865 N/A VAL 153.A N ILE 196.A O no hydrogen 3.159 N/A TRP 154.A N GLN 145.A O no hydrogen 3.056 N/A TRP 154.A NE1 GLU 156.A OE1 no hydrogen 2.903 N/A GLU 156.A N CYS 143.A O no hydrogen 2.966 N/A CYS 158.A SG GLU 141.A O no hydrogen 3.689 N/A GLU 159.A N GLN 165.A OE1 no hydrogen 2.877 N/A SER 162.A N GLU 159.A O no hydrogen 3.039 N/A GLN 165.A N SER 162.A O no hydrogen 3.142 N/A GLN 165.A NE2 GLN 145.A OE1 no hydrogen 3.023 N/A GLN 165.A NE2 ASP 157.A O no hydrogen 2.987 N/A GLN 166.A N LEU 163.A O no hydrogen 3.075 N/A GLN 166.A NE2 ALA 160.A O no hydrogen 3.610 N/A TRP 167.A N ALA 134.A O no hydrogen 2.943 N/A TRP 167.A NE1 LEU 144.A O no hydrogen 3.074 N/A ALA 168.A N ARG 176.A O no hydrogen 2.834 N/A LEU 169.A N ILE 132.A O no hydrogen 2.813 N/A TYR 170.A N THR 174.A O no hydrogen 3.127 N/A ARG 173.A N TYR 170.A O no hydrogen 3.064 N/A ARG 173.A NE TRP 123.A O no hydrogen 3.002 N/A ARG 173.A NH1 TRP 123.A O no hydrogen 2.963 N/A THR 174.A N ASP 172.A OD1 no hydrogen 3.275 N/A THR 174.A OG1 ASP 172.A OD1 no hydrogen 2.663 N/A ARG 176.A N ALA 168.A O no hydrogen 2.891 N/A ARG 176.A NE THR 174.A OG1 no hydrogen 2.724 N/A ARG 176.A NH1 ASP 11.A OD2 no hydrogen 2.907 N/A ARG 176.A NH1 ASP 172.A OD2 no hydrogen 2.819 N/A ARG 176.A NH2 ASP 11.A OD2 no hydrogen 3.214 N/A ARG 176.A NH2 ARG 181.A O no hydrogen 2.975 N/A VAL 177.A N LEU 183.A O no hydrogen 3.024 N/A ASN 178.A N GLN 166.A O no hydrogen 3.105 N/A SER 179.A OG.B THR 180.A OG1 no hydrogen 3.063 N/A THR 180.A N VAL 177.A O no hydrogen 3.037 N/A THR 180.A OG1 SER 179.A OG.B no hydrogen 3.063 N/A ARG 181.A NE ASN 178.A O no hydrogen 3.228 N/A ARG 181.A NE ASN 178.A OD1 no hydrogen 3.167 N/A ARG 181.A NH1 ASN 178.A OD1 no hydrogen 2.780 N/A LEU 183.A N THR 180.A O no hydrogen 2.994 N/A CYS 184.A N LEU 199.A O no hydrogen 2.889 N/A VAL 185.A N ILE 175.A O no hydrogen 2.855 N/A THR 186.A N ILE 197.A O no hydrogen 2.856 N/A THR 186.A OG1 CYS 184.A O no hydrogen 2.898 N/A THR 187.A N SER 206.A O no hydrogen 2.918 N/A THR 187.A OG1 GLY 189.A O no hydrogen 2.730 N/A ASN 188.A N LEU 195.A O no hydrogen 2.833 N/A ASN 191.A N ASP 194.A OD1 no hydrogen 2.932 N/A LYS 193.A N ILE 240.A O no hydrogen 2.815 N/A ASP 194.A N ASN 191.A O no hydrogen 2.999 N/A ILE 196.A N ILE 238.A O no hydrogen 2.838 N/A ILE 197.A N THR 186.A O no hydrogen 2.868 N/A ILE 198.A N ASN 151.A O no hydrogen 3.028 N/A LEU 199.A N CYS 184.A O no hydrogen 3.077 N/A CYS 201.A N GLY 182.A O no hydrogen 2.855 N/A GLN 202.A N GLN 207.A OE1 no hydrogen 2.817 N/A GLN 202.A NE2 LYS 200.A O no hydrogen 2.795 N/A LEU 204.A N GLN 207.A OE1 no hydrogen 3.250 N/A GLN 207.A N LEU 204.A O no hydrogen 3.004 N/A GLN 207.A NE2 THR 186.A OG1 no hydrogen 2.969 N/A GLN 207.A NE2 LYS 200.A O no hydrogen 2.968 N/A ARG 208.A N PRO 205.A O no hydrogen 3.333 N/A ARG 208.A NH1 ALA 118.A O no hydrogen 2.945 N/A ARG 208.A NH2 ASP 87.A O no hydrogen 3.003 N/A ARG 208.A NH2 SER 89.A OG no hydrogen 3.202 N/A TRP 209.A N ARG 173.A O no hydrogen 2.874 N/A TRP 209.A NE1 VAL 185.A O no hydrogen 3.010 N/A PHE 210.A N VAL 218.A O no hydrogen 2.771 N/A ASN 212.A N ALA 216.A O no hydrogen 3.028 N/A ASP 214.A N ASN 212.A OD1 no hydrogen 2.831 N/A ALA 216.A N ASN 212.A OD1 no hydrogen 3.046 N/A VAL 218.A N PHE 210.A O no hydrogen 2.899 N/A ASN 219.A N LEU 224.A O no hydrogen 2.812 N/A ASN 219.A ND2 PRO 205.A O no hydrogen 2.856 N/A ASN 219.A ND2 ARG 208.A O no hydrogen 2.956 N/A SER 222.A N ASN 219.A OD1 no hydrogen 3.127 N/A SER 222.A OG ASN 219.A O no hydrogen 3.436 N/A SER 222.A OG ASN 219.A OD1 no hydrogen 2.832 N/A ARG 223.A N ASN 219.A O no hydrogen 2.810 N/A ARG 223.A NH2 SER 222.A O no hydrogen 3.368 N/A LEU 224.A N SER 222.A OG no hydrogen 2.954 N/A VAL 225.A N PHE 241.A O no hydrogen 2.871 N/A MET 226.A N ILE 217.A O no hydrogen 2.891 N/A ASP 227.A N ILE 239.A O no hydrogen 2.826 N/A VAL 228.A N ASN 248.A O no hydrogen 2.938 N/A ARG 229.A N GLU 237.A O no hydrogen 3.032 N/A SER 231.A N VAL 228.A O no hydrogen 2.914 N/A ASN 232.A N ARG 229.A O no hydrogen 2.937 N/A SER 234.A N ASN 232.A OD1 no hydrogen 3.026 N/A LEU 235.A N ASN 232.A O no hydrogen 3.180 N/A ARG 236.A N VAL 233.A O no hydrogen 3.042 N/A ARG 236.A NE GLU 156.A OE1 no hydrogen 3.346 N/A ARG 236.A NH2 GLU 156.A OE1 no hydrogen 3.051 N/A ILE 239.A N ASP 227.A O no hydrogen 2.866 N/A ILE 240.A N ASP 194.A O no hydrogen 3.014 N/A PHE 241.A N VAL 225.A O no hydrogen 2.970 N/A THR 244.A N GLN 249.A OE1 no hydrogen 2.817 N/A ASN 246.A N THR 244.A OG1 no hydrogen 3.162 N/A ASN 248.A ND2 ASP 227.A OD1 no hydrogen 3.114 N/A ASN 248.A ND2 VAL 228.A O no hydrogen 2.927 N/A GLN 249.A N ASN 246.A O no hydrogen 3.005 N/A GLN 249.A NE2 ASP 227.A OD1 no hydrogen 2.833 N/A GLN 249.A NE2 PRO 242.A O no hydrogen 2.868 N/A GLN 250.A N PRO 247.A O no hydrogen 3.350 N/A GLN 250.A NE2 ASP 214.A O no hydrogen 2.534 N/A TRP 251.A N GLY 215.A O no hydrogen 2.851 N/A TRP 251.A NE1 MET 226.A O no hydrogen 3.119 N/A VAL 252.A N VAL 137.A O no hydrogen 2.831 N/A GLN 254.A N SER 135.A O no hydrogen 2.812 N/A LEU 256.A N VAL 133.A O no hydrogen 2.952 N/A