Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N.A GLU 226.A O no hydrogen 2.948 N/A MET 1.A N.B GLU 226.A O no hydrogen 3.304 N/A THR 4.A N ASP 2.A OD1 no hydrogen 3.090 N/A THR 4.A OG1 ASP 2.A OD1 no hydrogen 2.688 N/A ASN 5.A N ASN 29.A O no hydrogen 2.928 N/A LYS 6.A N LEU 3.A O no hydrogen 3.001 N/A LYS 6.A NZ ASP 2.A O no hydrogen 2.724 N/A LYS 6.A NZ THR 4.A O no hydrogen 3.024 N/A ASN 7.A N ASP 86.A OD2 no hydrogen 2.806 N/A ASN 7.A ND2 THR 84.A O no hydrogen 2.807 N/A VAL 8.A N ASN 32.A O no hydrogen 2.976 N/A ILE 9.A N ILE 87.A O no hydrogen 2.948 N/A PHE 10.A N VAL 34.A O no hydrogen 2.860 N/A VAL 11.A N ILE 89.A O no hydrogen 2.849 N/A ALA 12.A N LEU 36.A O no hydrogen 2.837 N/A ALA 13.A N ASP 37.A OD1.B no hydrogen 2.847 N/A LEU 14.A N ASP 37.A OD2.A no hydrogen 3.181 N/A LEU 14.A N ASP 37.A OD2.B no hydrogen 2.809 N/A LEU 19.A N GLY 15.A O no hydrogen 2.716 N/A ASP 20.A N GLY 16.A O no hydrogen 3.391 N/A THR 21.A N ILE 17.A O no hydrogen 2.856 N/A THR 21.A OG1 ILE 17.A O no hydrogen 2.884 N/A SER 22.A N GLY 18.A O no hydrogen 2.746 N/A SER 22.A OG ALA 13.A O no hydrogen 3.123 N/A SER 22.A OG GLY 18.A O no hydrogen 2.851 N/A ARG 23.A N LEU 19.A O no hydrogen 2.797 N/A ARG 23.A NE GLU 47.A OE1 no hydrogen 3.337 N/A ARG 23.A NE GLU 47.A OE2 no hydrogen 2.732 N/A ARG 23.A NH1 ASP 20.A OD1 no hydrogen 2.956 N/A ARG 23.A NH2 GLU 47.A OE1 no hydrogen 2.691 N/A ARG 23.A NH2 GLU 47.A OE2 no hydrogen 3.309 N/A GLU 24.A N ASP 20.A O no hydrogen 3.303 N/A LEU 25.A N THR 21.A O no hydrogen 2.795 N/A VAL 26.A N SER 22.A O no hydrogen 2.995 N/A LYS 27.A NZ GLU 24.A OE2 no hydrogen 2.885 N/A ARG 28.A N LEU 25.A O no hydrogen 2.920 N/A ARG 28.A NE GLU 226.A OE2 no hydrogen 2.758 N/A ARG 28.A NH1 GLU 24.A O no hydrogen 3.181 N/A ARG 28.A NH1 GLU 24.A OE1 no hydrogen 3.046 N/A ARG 28.A NH2 GLU 226.A OE1 no hydrogen 3.244 N/A ARG 28.A NH2 GLU 226.A OE2 no hydrogen 3.501 N/A ASN 29.A N VAL 26.A O no hydrogen 3.455 N/A LYS 31.A N LYS 6.A O no hydrogen 2.840 N/A ASN 32.A N LYS 6.A O no hydrogen 3.297 N/A ASN 32.A ND2 ASN 7.A OD1 no hydrogen 2.966 N/A PHE 33.A N ASN 56.A O no hydrogen 2.905 N/A VAL 34.A N VAL 8.A O no hydrogen 2.826 N/A ILE 35.A N THR 58.A O no hydrogen 2.801 N/A LEU 36.A N PHE 10.A O no hydrogen 3.017 N/A ASP 37.A N HIS 60.A O no hydrogen 3.239 N/A ARG 38.A N ASP 37.A OD1.A no hydrogen 2.945 N/A ALA 44.A N ASN 41.A OD1 no hydrogen 3.009 N/A LEU 45.A N ASN 41.A O no hydrogen 3.103 N/A ALA 46.A N PRO 42.A O no hydrogen 2.933 N/A GLU 47.A N THR 43.A O no hydrogen 2.895 N/A LEU 48.A N ALA 44.A O no hydrogen 2.942 N/A LYS 49.A N LEU 45.A O no hydrogen 2.997 N/A ALA 50.A N ALA 46.A O no hydrogen 2.972 N/A ILE 51.A N GLU 47.A O no hydrogen 3.015 N/A ASN 52.A N LEU 48.A O no hydrogen 3.220 N/A ASN 52.A ND2 VAL 26.A O no hydrogen 2.799 N/A ASN 52.A ND2 ASN 29.A OD1 no hydrogen 2.677 N/A LYS 54.A N ASN 52.A OD1 no hydrogen 3.061 N/A VAL 55.A N ASN 52.A O no hydrogen 3.308 N/A ASN 56.A N LYS 31.A O no hydrogen 3.054 N/A ASN 56.A ND2 ASN 32.A OD1 no hydrogen 2.782 N/A THR 58.A N PHE 33.A O no hydrogen 2.967 N/A HIS 60.A N ILE 35.A O no hydrogen 2.822 N/A TYR 62.A N ASP 37.A O no hydrogen 2.873 N/A TYR 62.A OH SER 71.A OG no hydrogen 2.600 N/A TYR 62.A OH THR 114.A OG1 no hydrogen 2.742 N/A THR 65.A N ASP 63.A OD1 no hydrogen 2.902 N/A THR 65.A OG1 ASP 63.A OD1 no hydrogen 2.669 N/A VAL 66.A N ASP 63.A O no hydrogen 3.160 N/A GLU 70.A N PRO 67.A O no hydrogen 2.927 N/A SER 71.A N PRO 67.A O no hydrogen 3.274 N/A SER 71.A OG TYR 62.A OH no hydrogen 2.600 N/A LYS 72.A N VAL 68.A O no hydrogen 2.872 N/A LYS 72.A NZ ASP 120.A OD1 no hydrogen 3.416 N/A LYS 72.A NZ ASP 120.A OD2 no hydrogen 3.149 N/A LYS 73.A N ALA 69.A O no hydrogen 3.028 N/A LEU 74.A N GLU 70.A O no hydrogen 3.239 N/A LEU 75.A N SER 71.A O no hydrogen 2.937 N/A LYS 76.A N LYS 72.A O no hydrogen 2.819 N/A LYS 77.A N LYS 73.A O no hydrogen 3.381 N/A ILE 78.A N LEU 74.A O no hydrogen 3.143 N/A PHE 79.A N LEU 75.A O no hydrogen 2.882 N/A ASP 80.A N LYS 76.A O no hydrogen 2.865 N/A GLN 81.A N LYS 77.A O no hydrogen 2.937 N/A LEU 82.A N ILE 78.A O no hydrogen 2.923 N/A LYS 83.A N PHE 79.A O no hydrogen 2.769 N/A ASP 86.A N ASN 7.A O no hydrogen 2.812 N/A ILE 87.A N ASN 7.A O no hydrogen 3.331 N/A LEU 88.A N ILE 132.A O no hydrogen 2.915 N/A ILE 89.A N ILE 9.A O no hydrogen 2.834 N/A ASN 90.A N ALA 134.A O no hydrogen 2.896 N/A ASN 90.A ND2 ASN 135.A OD1 no hydrogen 2.854 N/A GLY 91.A N VAL 11.A O no hydrogen 2.916 N/A ILE 94.A N ASN 107.A OD1 no hydrogen 2.913 N/A ASP 97.A N ASN 193.A O no hydrogen 3.052 N/A HIS 98.A N ASP 96.A OD1 no hydrogen 2.954 N/A HIS 98.A NE2 ASP 197.A OD1 no hydrogen 2.701 N/A GLN 99.A N ASP 96.A O no hydrogen 2.892 N/A GLN 99.A NE2 ASP 96.A OD2 no hydrogen 2.827 N/A THR 103.A N GLN 99.A O no hydrogen 2.935 N/A THR 103.A OG1 ASP 96.A O no hydrogen 3.151 N/A THR 103.A OG1 GLN 99.A O no hydrogen 2.777 N/A ILE 104.A N ILE 100.A O no hydrogen 3.180 N/A ALA 105.A N GLU 101.A O no hydrogen 2.883 N/A ILE 106.A N ARG 102.A O no hydrogen 2.893 N/A ASN 107.A N THR 103.A O no hydrogen 2.899 N/A ASN 107.A ND2 ILE 94.A O no hydrogen 3.040 N/A ASN 107.A ND2 SER 154.A OG no hydrogen 3.107 N/A PHE 108.A N ILE 104.A O no hydrogen 3.039 N/A THR 109.A N ILE 104.A O no hydrogen 3.007 N/A THR 109.A OG1 ILE 104.A O no hydrogen 3.510 N/A GLY 110.A N ALA 105.A O no hydrogen 2.770 N/A VAL 112.A N PHE 108.A O no hydrogen 3.048 N/A ASN 113.A N THR 109.A O no hydrogen 2.853 N/A THR 114.A N GLY 110.A O no hydrogen 2.912 N/A THR 114.A OG1 TYR 62.A OH no hydrogen 2.742 N/A THR 114.A OG1 GLY 110.A O no hydrogen 3.046 N/A THR 115.A N LEU 111.A O no hydrogen 3.109 N/A THR 115.A OG1 LEU 111.A O no hydrogen 2.941 N/A THR 116.A N VAL 112.A O no hydrogen 2.839 N/A THR 116.A OG1 VAL 112.A O no hydrogen 2.784 N/A ALA 117.A N ASN 113.A O no hydrogen 2.881 N/A ILE 118.A N THR 114.A O no hydrogen 2.927 N/A LEU 119.A N THR 115.A O no hydrogen 3.109 N/A ASP 120.A N ALA 117.A O no hydrogen 3.035 N/A PHE 121.A N ILE 118.A O no hydrogen 2.931 N/A TRP 122.A N ILE 118.A O no hydrogen 3.132 N/A TRP 122.A NE1 VAL 85.A O no hydrogen 3.027 N/A ASP 123.A N LEU 119.A O no hydrogen 2.870 N/A LYS 124.A N THR 172.A O no hydrogen 2.890 N/A ARG 125.A N ASP 123.A OD1 no hydrogen 2.957 N/A ARG 125.A NE ASP 123.A OD1 no hydrogen 2.963 N/A ARG 125.A NE ASP 123.A OD2 no hydrogen 3.341 N/A ARG 125.A NH2 ASP 123.A OD2 no hydrogen 2.717 N/A LYS 126.A N ASP 123.A O no hydrogen 2.951 N/A GLY 127.A N LYS 124.A O no hydrogen 3.035 N/A GLY 128.A N ASP 123.A O no hydrogen 3.030 N/A GLY 130.A N TRP 122.A O no hydrogen 2.839 N/A GLY 131.A N GLY 173.A O no hydrogen 3.010 N/A ILE 133.A N THR 175.A O no hydrogen 2.852 N/A ALA 134.A N LEU 88.A O no hydrogen 2.837 N/A ASN 135.A N TYR 177.A O no hydrogen 3.102 N/A ASN 135.A ND2 THR 162.A OG1 no hydrogen 3.021 N/A ILE 136.A N ASN 90.A O no hydrogen 2.937 N/A CYS 137.A N.A ILE 179.A O no hydrogen 2.613 N/A CYS 137.A N.B ILE 179.A O no hydrogen 2.866 N/A CYS 137.A SG.A LYS 155.A O no hydrogen 2.973 N/A CYS 137.A SG.B ASN 135.A O no hydrogen 3.758 N/A SER 138.A N ASN 180.A OD1 no hydrogen 3.088 N/A SER 138.A OG THR 140.A OG1 no hydrogen 2.819 N/A VAL 139.A N PRO 181.A O no hydrogen 3.161 N/A THR 140.A N SER 138.A OG no hydrogen 2.922 N/A THR 140.A OG1 SER 138.A OG no hydrogen 2.819 N/A GLY 141.A N SER 138.A O no hydrogen 2.940 N/A PHE 142.A N VAL 139.A O no hydrogen 2.885 N/A ASN 143.A N VAL 139.A O no hydrogen 3.212 N/A GLN 147.A N GLN 147.A OE1 no hydrogen 2.868 N/A VAL 148.A N ILE 145.A O no hydrogen 2.971 N/A VAL 150.A N ASP 97.A OD2 no hydrogen 2.833 N/A TYR 151.A N ASP 97.A OD1 no hydrogen 2.913 N/A SER 152.A N VAL 148.A O no hydrogen 2.966 N/A SER 152.A OG ILE 145.A O no hydrogen 3.089 N/A SER 152.A OG VAL 148.A O no hydrogen 3.004 N/A ALA 153.A N PRO 149.A O no hydrogen 2.996 N/A SER 154.A N VAL 150.A O no hydrogen 2.894 N/A SER 154.A OG TYR 151.A O no hydrogen 2.680 N/A LYS 155.A N TYR 151.A O no hydrogen 3.071 N/A LYS 155.A NZ ILE 136.A O no hydrogen 3.187 N/A LYS 155.A NZ CYS 137.A O.A no hydrogen 3.106 N/A LYS 155.A NZ CYS 137.A O.B no hydrogen 3.050 N/A ALA 156.A N SER 152.A O no hydrogen 2.877 N/A ALA 157.A N ALA 153.A O no hydrogen 2.995 N/A VAL 158.A N SER 154.A O no hydrogen 3.246 N/A VAL 159.A N LYS 155.A O no hydrogen 2.958 N/A SER 160.A N ALA 156.A O no hydrogen 3.112 N/A PHE 161.A N ALA 157.A O no hydrogen 2.899 N/A THR 162.A N VAL 158.A O no hydrogen 2.942 N/A THR 162.A OG1 VAL 158.A O no hydrogen 2.728 N/A ASN 163.A N VAL 159.A O no hydrogen 3.040 N/A SER 164.A N SER 160.A O no hydrogen 2.981 N/A SER 164.A OG SER 160.A O no hydrogen 3.434 N/A LEU 165.A N PHE 161.A O no hydrogen 2.896 N/A ALA 166.A N THR 162.A O no hydrogen 3.060 N/A LYS 167.A N ASN 163.A O no hydrogen 3.272 N/A LEU 168.A N SER 164.A O no hydrogen 3.017 N/A LEU 168.A N LEU 165.A O no hydrogen 3.002 N/A ALA 169.A N ALA 166.A O no hydrogen 3.287 N/A ILE 171.A N LEU 168.A O no hydrogen 2.882 N/A THR 172.A N LEU 168.A O no hydrogen 3.065 N/A THR 172.A OG1 LEU 168.A O no hydrogen 3.142 N/A GLY 173.A N ALA 169.A O no hydrogen 2.800 N/A THR 175.A N GLY 131.A O no hydrogen 2.923 N/A THR 175.A OG1 GLY 131.A O no hydrogen 3.342 N/A ALA 176.A N ASN 230.A OD1 no hydrogen 2.881 N/A TYR 177.A N ILE 133.A O no hydrogen 3.054 N/A SER 178.A N ALA 232.A O no hydrogen 3.106 N/A ILE 179.A N ASN 135.A O no hydrogen 2.841 N/A ASN 180.A N TRP 234.A O no hydrogen 2.789 N/A ASN 180.A ND2 SER 178.A OG no hydrogen 2.974 N/A ASN 180.A ND2 TRP 234.A O no hydrogen 2.964 N/A GLY 182.A N LEU 236.A O no hydrogen 2.830 N/A THR 184.A OG1 GLY 182.A O no hydrogen 2.785 N/A ARG 185.A N GLN 212.A O no hydrogen 3.024 N/A ARG 185.A NH1 THR 211.A OG1 no hydrogen 2.641 N/A VAL 189.A N THR 186.A O no hydrogen 3.261 N/A ASN 193.A ND2 ASP 96.A OD1 no hydrogen 3.001 N/A ASN 193.A ND2 ASP 96.A OD2 no hydrogen 3.569 N/A TRP 195.A N GLN 147.A O no hydrogen 3.164 N/A ASP 197.A N SER 194.A O no hydrogen 3.090 N/A VAL 198.A N TRP 195.A O no hydrogen 3.005 N/A GLU 199.A N SER 194.A OG no hydrogen 2.944 N/A ARG 201.A N GLU 199.A OE1 no hydrogen 2.973 N/A ARG 201.A NE GLU 204.A OE2 no hydrogen 2.828 N/A ARG 201.A NH2 GLU 204.A OE1 no hydrogen 2.905 N/A VAL 202.A N GLU 199.A O no hydrogen 3.056 N/A LEU 205.A N ARG 201.A O no hydrogen 2.984 N/A LEU 206.A N VAL 202.A O no hydrogen 2.945 N/A LEU 207.A N ALA 203.A O no hydrogen 2.908 N/A SER 208.A N LEU 205.A O no hydrogen 3.047 N/A SER 208.A OG GLU 204.A O no hydrogen 2.797 N/A HIS 209.A N LEU 206.A O no hydrogen 3.371 N/A GLN 212.A N ILE 183.A O no hydrogen 3.077 N/A GLN 212.A NE2 THR 184.A OG1 no hydrogen 2.925 N/A GLN 212.A NE2 LEU 236.A O no hydrogen 2.886 N/A THR 213.A N GLN 216.A OE1 no hydrogen 3.028 N/A SER 214.A OG ASP 20.A OD2 no hydrogen 2.522 N/A GLN 216.A N THR 213.A OG1 no hydrogen 3.396 N/A CYS 217.A N THR 213.A O no hydrogen 3.091 N/A GLY 218.A N SER 214.A O no hydrogen 2.819 N/A GLN 219.A N GLU 215.A O no hydrogen 2.925 N/A ASN 220.A N GLN 216.A O no hydrogen 3.096 N/A ASN 220.A ND2 GLY 239.A O no hydrogen 2.977 N/A PHE 221.A N CYS 217.A O no hydrogen 2.844 N/A VAL 222.A N GLY 218.A O no hydrogen 3.114 N/A LYS 223.A N GLN 219.A O no hydrogen 3.194 N/A ALA 224.A N ASN 220.A O no hydrogen 2.893 N/A ILE 225.A N PHE 221.A O no hydrogen 2.980 N/A GLU 226.A N VAL 222.A O no hydrogen 2.892 N/A ALA 227.A N LYS 223.A O no hydrogen 2.924 N/A ASN 228.A N ALA 224.A O no hydrogen 3.248 N/A ASN 230.A ND2 ALA 166.A O no hydrogen 3.183 N/A GLY 231.A N ALA 176.A O no hydrogen 2.801 N/A ALA 232.A N LYS 229.A O no hydrogen 3.017 N/A TRP 234.A N SER 178.A O no hydrogen 2.955 N/A LYS 235.A N GLU 242.A O no hydrogen 2.707 N/A LYS 235.A NZ GLU 242.A OE2.B no hydrogen 2.994 N/A LEU 236.A N ASN 180.A O no hydrogen 2.966 N/A ASP 237.A N THR 240.A O no hydrogen 3.257 N/A GLY 239.A N GLN 212.A OE1 no hydrogen 2.885 N/A THR 240.A N ASP 237.A O no hydrogen 3.069 N/A THR 240.A OG1 ASP 237.A O no hydrogen 3.229 N/A GLU 242.A N LYS 235.A O no hydrogen 2.989 N/A ILE 244.A N ILE 233.A O no hydrogen 2.873 N/A LYS 248.A NZ ASP 251.A OD1 no hydrogen 3.185 N/A HIS 253.A N ASP 251.A OD2 no hydrogen 2.759 N/A ILE 254.A N SER 252.A OG no hydrogen 2.990 N/A