Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u0a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 127.A OE1 no hydrogen 3.126 N/A ILE 2.A N GLU 127.A OE1 no hydrogen 3.337 N/A GLU 4.A N ALA 1.A O no hydrogen 2.741 N/A ILE 5.A N ILE 2.A O no hydrogen 3.170 N/A LEU 6.A N GLU 3.A O no hydrogen 3.159 N/A ASP 7.A N GLU 4.A O no hydrogen 3.058 N/A GLU 9.A N ARG 17.A O no hydrogen 2.956 N/A GLN 10.A NE2 GLU 12.A O no hydrogen 3.496 N/A LEU 11.A N ILE 15.A O no hydrogen 3.024 N/A GLU 12.A N ILE 15.A O no hydrogen 3.301 N/A VAL 13.A N GLU 12.A OE2 no hydrogen 2.795 N/A ILE 15.A N GLU 12.A O no hydrogen 3.065 N/A TYR 16.A N PHE 66.A O no hydrogen 2.973 N/A ARG 17.A N GLU 9.A O no hydrogen 2.872 N/A ARG 17.A NE GLU 9.A OE1 no hydrogen 3.181 N/A ARG 17.A NH1 GLU 9.A OE1 no hydrogen 2.996 N/A GLY 18.A N THR 64.A O no hydrogen 2.755 N/A GLN 22.A NE2 SER 57.A O no hydrogen 3.277 N/A GLY 26.A N GLN 22.A O no hydrogen 2.944 N/A GLY 27.A N ARG 23.A O no hydrogen 3.025 N/A HIS 28.A N THR 24.A O no hydrogen 3.098 N/A VAL 29.A N PHE 25.A O no hydrogen 2.959 N/A ALA 30.A N GLY 26.A O no hydrogen 2.978 N/A GLY 31.A N GLY 27.A O no hydrogen 3.026 N/A GLN 32.A N HIS 28.A O no hydrogen 2.805 N/A GLN 32.A NE2 ILE 5.A O no hydrogen 3.282 N/A SER 33.A N VAL 29.A O no hydrogen 2.850 N/A SER 33.A OG VAL 29.A O no hydrogen 2.665 N/A LEU 34.A N ALA 30.A O no hydrogen 3.046 N/A VAL 35.A N GLY 31.A O no hydrogen 2.968 N/A SER 36.A N GLN 32.A O no hydrogen 2.919 N/A SER 36.A OG GLN 32.A O no hydrogen 3.553 N/A ALA 37.A N SER 33.A O no hydrogen 3.253 N/A VAL 38.A N LEU 34.A O no hydrogen 2.886 N/A ARG 39.A N VAL 35.A O no hydrogen 3.155 N/A ARG 39.A NH2 LEU 8.A O no hydrogen 3.042 N/A THR 40.A N ALA 37.A O no hydrogen 3.177 N/A THR 40.A OG1 ALA 37.A O no hydrogen 2.798 N/A VAL 41.A N VAL 38.A O no hydrogen 3.228 N/A ARG 44.A N ASP 42.A OD1 no hydrogen 2.796 N/A TYR 45.A N ASP 42.A O no hydrogen 2.941 N/A TYR 45.A OH GLY 74.A O no hydrogen 2.920 N/A TYR 45.A OH GLY 75.A O no hydrogen 3.261 N/A GLN 46.A N GLN 99.A O no hydrogen 2.861 N/A GLN 46.A NE2 PRO 43.A O no hydrogen 2.854 N/A GLN 46.A NE2 TYR 45.A O no hydrogen 3.698 N/A HIS 48.A N SER 97.A O no hydrogen 2.970 N/A LEU 50.A N MET 201.A O no hydrogen 3.029 N/A HIS 51.A N GLY 95.A O no hydrogen 2.761 N/A GLY 52.A N HIS 199.A O no hydrogen 2.855 N/A TYR 53.A N SER 93.A O no hydrogen 2.697 N/A PHE 54.A N LEU 197.A O no hydrogen 2.872 N/A LEU 55.A N ILE 91.A O no hydrogen 2.868 N/A ARG 56.A N ILE 91.A O no hydrogen 2.972 N/A ARG 56.A NE VAL 90.A O no hydrogen 2.812 N/A ARG 56.A NH1 VAL 90.A O no hydrogen 3.074 N/A ASP 59.A N GLN 86.A OE1 no hydrogen 2.904 N/A GLN 61.A N ASP 59.A OD1 no hydrogen 3.034 N/A GLU 62.A N ASP 59.A O no hydrogen 3.152 N/A THR 64.A N GLY 18.A O no hydrogen 3.069 N/A VAL 65.A N VAL 85.A O no hydrogen 3.141 N/A PHE 66.A N TYR 16.A O no hydrogen 2.752 N/A LEU 67.A N ASN 83.A O no hydrogen 3.018 N/A VAL 68.A N ASN 14.A O no hydrogen 2.994 N/A GLU 69.A N ARG 81.A O no hydrogen 2.746 N/A ARG 70.A NE ASN 14.A OD1 no hydrogen 2.817 N/A ARG 70.A NH2 ASN 14.A OD1 no hydrogen 3.069 N/A THR 71.A N THR 79.A O no hydrogen 2.982 N/A THR 71.A OG1 GLU 69.A O no hydrogen 3.283 N/A THR 71.A OG1 GLU 69.A OE2 no hydrogen 2.711 N/A ARG 72.A N THR 79.A O no hydrogen 3.248 N/A ARG 72.A NH2 THR 79.A OG1 no hydrogen 2.478 N/A GLY 74.A N PHE 77.A O no hydrogen 2.954 N/A VAL 78.A N PHE 98.A O no hydrogen 2.754 N/A THR 79.A N ARG 72.A O no hydrogen 2.789 N/A ARG 80.A N ALA 96.A O no hydrogen 3.034 N/A ARG 80.A NE THR 40.A OG1 no hydrogen 2.709 N/A ARG 80.A NH1 ASP 73.A OD1 no hydrogen 3.420 N/A ARG 80.A NH1 ASP 73.A OD2 no hydrogen 2.738 N/A ARG 80.A NH1 THR 79.A O no hydrogen 3.228 N/A ARG 80.A NH2 THR 40.A O no hydrogen 2.649 N/A ARG 80.A NH2 ASP 73.A OD1 no hydrogen 3.102 N/A ARG 81.A N GLU 69.A O no hydrogen 3.089 N/A ARG 81.A NE GLU 69.A OE2 no hydrogen 2.928 N/A ARG 81.A NH2 GLU 69.A OE1 no hydrogen 2.912 N/A ARG 81.A NH2 GLU 69.A OE2 no hydrogen 3.348 N/A VAL 82.A N MET 94.A O no hydrogen 2.975 N/A ASN 83.A N LEU 67.A O no hydrogen 3.109 N/A ALA 84.A N PHE 92.A O no hydrogen 2.972 N/A VAL 85.A N VAL 65.A O no hydrogen 2.764 N/A GLN 86.A N GLU 89.A O no hydrogen 3.000 N/A GLN 86.A NE2 ASP 59.A O no hydrogen 3.098 N/A GLN 86.A NE2 PRO 63.A O no hydrogen 3.162 N/A GLU 89.A N GLN 86.A O no hydrogen 3.066 N/A ILE 91.A N ALA 84.A O no hydrogen 2.881 N/A SER 93.A N TYR 53.A O no hydrogen 3.096 N/A SER 93.A OG ASN 83.A OD1 no hydrogen 2.763 N/A MET 94.A N VAL 82.A O no hydrogen 2.999 N/A GLY 95.A N HIS 51.A O no hydrogen 2.757 N/A ALA 96.A N ARG 80.A O no hydrogen 3.121 N/A SER 97.A N SER 49.A O no hydrogen 3.094 N/A SER 97.A OG HIS 48.A NE2 no hydrogen 2.804 N/A PHE 98.A N VAL 78.A O no hydrogen 2.768 N/A GLN 99.A N GLN 46.A O no hydrogen 3.030 N/A GLN 99.A NE2 GLN 102.A OE1 no hydrogen 3.176 N/A THR 100.A N SER 76.A O no hydrogen 2.973 N/A GLN 102.A NE2 SER 76.A OG no hydrogen 2.918 N/A LEU 120.A N PRO 117.A O no hydrogen 2.875 N/A GLN 124.A N GLN 124.A OE1 no hydrogen 3.108 N/A TRP 128.A N PHE 125.A O no hydrogen 2.889 N/A ASP 129.A N ARG 153.A O no hydrogen 2.765 N/A ARG 131.A N TRP 151.A O no hydrogen 2.804 N/A ARG 131.A NH1 PRO 117.A O no hydrogen 2.903 N/A ARG 131.A NH1 ASP 118.A OD1.A no hydrogen 3.516 N/A ARG 131.A NH2 ASP 129.A OD1 no hydrogen 2.957 N/A VAL 133.A N GLN 149.A O no hydrogen 2.765 N/A LEU 137.A N PRO 134.A O no hydrogen 2.999 N/A LEU 138.A N ARG 135.A O no hydrogen 3.359 N/A LEU 141.A N GLN 147.A OE1 no hydrogen 3.026 N/A LYS 144.A N LEU 141.A O no hydrogen 3.444 N/A SER 146.A OG SER 180.A O no hydrogen 2.775 N/A GLN 147.A NE2 ALA 139.A O no hydrogen 3.295 N/A GLN 148.A N GLN 217.A O no hydrogen 3.090 N/A GLN 148.A NE2 GLN 217.A OE1 no hydrogen 3.036 N/A GLN 149.A NE2 ASP 216.A OD1 no hydrogen 2.800 N/A VAL 150.A N TYR 215.A O no hydrogen 3.097 N/A TRP 151.A N ARG 131.A O no hydrogen 2.750 N/A TRP 151.A NE1 PRO 115.A O no hydrogen 3.087 N/A PHE 152.A N LEU 213.A O no hydrogen 2.955 N/A ARG 153.A N ASP 129.A O no hydrogen 3.034 N/A HIS 154.A N ALA 209.A O no hydrogen 2.866 N/A HIS 154.A ND1 ASP 156.A O no hydrogen 2.567 N/A HIS 154.A NE2 GLU 127.A OE1 no hydrogen 2.789 N/A ARG 155.A N GLU 127.A O no hydrogen 2.837 N/A ARG 155.A NH1 GLU 126.A O no hydrogen 2.507 N/A LEU 158.A N ASP 210.A OD2 no hydrogen 2.875 N/A VAL 163.A N ASP 161.A OD1 no hydrogen 3.234 N/A LEU 164.A N ASP 161.A O no hydrogen 2.839 N/A HIS 165.A N ASP 161.A O no hydrogen 3.335 N/A HIS 165.A NE2 PRO 159.A O no hydrogen 2.810 N/A ILE 166.A N PRO 162.A O no hydrogen 2.951 N/A CYS 167.A N VAL 163.A O no hydrogen 3.022 N/A CYS 167.A SG VAL 163.A O no hydrogen 3.470 N/A ALA 168.A N LEU 164.A O no hydrogen 2.931 N/A LEU 169.A N HIS 165.A O no hydrogen 2.941 N/A ALA 170.A N ILE 166.A O no hydrogen 2.813 N/A TYR 171.A N CYS 167.A O no hydrogen 2.750 N/A MET 172.A N ALA 168.A O no hydrogen 2.998 N/A SER 173.A N LEU 169.A O no hydrogen 3.015 N/A SER 173.A OG TYR 215.A OH no hydrogen 2.698 N/A ASP 174.A N ALA 170.A O no hydrogen 2.965 N/A LEU 175.A N TYR 171.A O no hydrogen 3.058 N/A LEU 175.A N MET 172.A O no hydrogen 3.128 N/A THR 176.A N SER 173.A O no hydrogen 3.004 N/A THR 176.A OG1 MET 172.A O no hydrogen 2.841 N/A LEU 177.A N SER 173.A O no hydrogen 2.997 N/A SER 180.A N LEU 177.A O no hydrogen 2.911 N/A SER 180.A OG LEU 177.A O no hydrogen 2.895 N/A ALA 181.A N LEU 178.A O no hydrogen 3.128 N/A GLN 182.A N GLY 179.A O no hydrogen 2.885 N/A HIS 185.A N GLN 182.A O no hydrogen 3.045 N/A GLU 188.A N HIS 185.A O no hydrogen 2.991 N/A HIS 191.A N GLU 188.A O no hydrogen 3.309 N/A LEU 192.A N ARG 189.A O no hydrogen 3.039 N/A GLN 193.A N ARG 251.A O no hydrogen 2.676 N/A ALA 195.A N LEU 249.A O no hydrogen 3.329 N/A LEU 197.A N GLU 247.A O no hydrogen 3.063 N/A ASP 198.A N GLU 247.A O no hydrogen 3.358 N/A HIS 199.A N GLY 52.A O no hydrogen 3.128 N/A HIS 199.A ND1 ASP 174.A OD1 no hydrogen 2.709 N/A ALA 200.A N MET 245.A O no hydrogen 2.884 N/A MET 201.A N LEU 50.A O no hydrogen 2.839 N/A TRP 202.A N ALA 243.A O no hydrogen 3.036 N/A PHE 203.A N HIS 48.A O no hydrogen 2.835 N/A MET 204.A N VAL 241.A O no hydrogen 2.937 N/A ARG 205.A N VAL 241.A O no hydrogen 3.331 N/A ARG 205.A NH1 LEU 240.A O no hydrogen 2.691 N/A ARG 205.A NH2 HIS 107.A O no hydrogen 3.131 N/A ARG 208.A NE ASP 210.A OD1 no hydrogen 2.849 N/A ARG 208.A NH1 ASP 160.A OD1 no hydrogen 2.870 N/A ARG 208.A NH2 LEU 158.A O no hydrogen 3.028 N/A ARG 208.A NH2 ASP 210.A OD1 no hydrogen 3.340 N/A ARG 208.A NH2 ASP 210.A OD2 no hydrogen 2.640 N/A ALA 209.A N HIS 165.A ND1 no hydrogen 3.033 N/A GLU 211.A N ARG 208.A O no hydrogen 3.166 N/A LEU 213.A N PHE 152.A O no hydrogen 3.006 N/A LEU 214.A N PHE 234.A O no hydrogen 2.751 N/A TYR 215.A N VAL 150.A O no hydrogen 2.775 N/A TYR 215.A OH SER 173.A OG no hydrogen 2.698 N/A ASP 216.A N LYS 232.A O no hydrogen 2.920 N/A GLN 217.A N GLN 148.A O no hydrogen 2.859 N/A SER 218.A N HIS 230.A O no hydrogen 2.857 N/A SER 219.A N SER 146.A O no hydrogen 2.803 N/A SER 219.A OG LEU 228.A O no hydrogen 2.792 N/A GLY 223.A N ARG 226.A O no hydrogen 2.850 N/A ARG 226.A N GLY 223.A O no hydrogen 2.830 N/A ARG 226.A NE GLU 247.A OE2 no hydrogen 3.001 N/A ALA 227.A N GLY 248.A O no hydrogen 3.112 N/A LEU 228.A N SER 221.A O no hydrogen 2.971 N/A THR 229.A N GLN 246.A O no hydrogen 2.791 N/A THR 229.A OG1 GLN 246.A O no hydrogen 2.962 N/A HIS 230.A N SER 218.A O no hydrogen 2.941 N/A GLY 231.A N VAL 244.A O no hydrogen 2.715 N/A LYS 232.A N ASP 216.A O no hydrogen 2.947 N/A ILE 233.A N ALA 242.A O no hydrogen 2.764 N/A PHE 234.A N LEU 214.A O no hydrogen 2.896 N/A THR 235.A N GLU 239.A O no hydrogen 2.929 N/A GLY 238.A N THR 235.A O no hydrogen 3.002 N/A GLU 239.A N THR 235.A OG1 no hydrogen 3.245 N/A LEU 240.A N GLN 108.A OE1 no hydrogen 2.703 N/A VAL 241.A N ILE 233.A O no hydrogen 2.903 N/A ALA 243.A N TRP 202.A O no hydrogen 3.157 N/A VAL 244.A N GLY 231.A O no hydrogen 2.716 N/A MET 245.A N ALA 200.A O no hydrogen 2.977 N/A GLN 246.A N THR 229.A O no hydrogen 2.987 N/A GLN 246.A NE2 ASP 174.A OD1 no hydrogen 3.438 N/A GLN 246.A NE2 ASP 198.A O no hydrogen 3.001 N/A GLU 247.A N ASP 198.A OD1 no hydrogen 2.911 N/A GLY 248.A N ALA 227.A O no hydrogen 2.979 N/A LEU 249.A N ALA 195.A O no hydrogen 2.722 N/A THR 250.A N GLY 225.A O no hydrogen 2.670 N/A ARG 251.A N GLN 193.A O no hydrogen 2.814 N/A ARG 251.A NE GLN 193.A OE1 no hydrogen 2.593 N/A ARG 251.A NH1 GLN 193.A OE1 no hydrogen 3.051 N/A