Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k77_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLY 231.A O no hydrogen 3.579 N/A ALA 4.A N ILE 233.A O no hydrogen 2.960 N/A ALA 5.A N ALA 28.A O no hydrogen 3.020 N/A ASN 6.A N CYS 235.A O no hydrogen 3.252 N/A ASN 6.A ND2 GLU 30.A OE2 no hydrogen 2.805 N/A LEU 7.A N GLU 30.A O no hydrogen 2.788 N/A SER 8.A N ASN 6.A OD1 no hydrogen 2.969 N/A VAL 12.A N PHE 9.A O no hydrogen 3.296 N/A GLU 16.A N PRO 13.A O no hydrogen 2.850 N/A ARG 17.A N PHE 14.A O no hydrogen 2.912 N/A ARG 17.A NE VAL 12.A O no hydrogen 2.730 N/A ARG 17.A NH1 LEU 7.A O no hydrogen 2.836 N/A ARG 17.A NH2 VAL 12.A O no hydrogen 2.937 N/A ALA 20.A N GLU 16.A O no hydrogen 3.350 N/A ALA 21.A N ARG 17.A O no hydrogen 2.904 N/A ARG 22.A N PHE 18.A O no hydrogen 3.073 N/A ARG 22.A NE ASN 49.A O no hydrogen 2.967 N/A ARG 22.A NH1 ASP 27.A OD1 no hydrogen 2.912 N/A ARG 22.A NH2 ASP 27.A OD1 no hydrogen 2.953 N/A ARG 22.A NH2 HIS 50.A O no hydrogen 2.932 N/A LYS 23.A N ALA 19.A O no hydrogen 2.865 N/A ALA 24.A N ALA 20.A O no hydrogen 3.115 N/A ALA 24.A N ALA 21.A O no hydrogen 3.152 N/A GLY 25.A N ARG 22.A O no hydrogen 2.865 N/A PHE 26.A N ALA 21.A O no hydrogen 3.059 N/A VAL 29.A N THR 52.A O no hydrogen 2.937 N/A GLU 30.A N ALA 5.A O no hydrogen 2.946 N/A PHE 31.A N LEU 55.A O no hydrogen 3.282 N/A LEU 32.A N SER 8.A OG no hydrogen 2.876 N/A TYR 35.A OH ASN 57.A O no hydrogen 2.611 N/A TYR 37.A N PRO 34.A O no hydrogen 2.953 N/A SER 38.A N GLN 41.A OE1 no hydrogen 2.895 N/A GLN 41.A N SER 38.A OG no hydrogen 3.018 N/A ILE 42.A N SER 38.A O no hydrogen 3.293 N/A GLN 43.A N.A THR 39.A O no hydrogen 2.864 N/A GLN 43.A N.B THR 39.A O no hydrogen 2.866 N/A LYS 44.A N LEU 40.A O no hydrogen 3.025 N/A GLN 45.A N GLN 41.A O no hydrogen 3.422 N/A LEU 46.A N ILE 42.A O no hydrogen 2.913 N/A GLU 47.A N.A GLN 43.A O.A no hydrogen 2.951 N/A GLU 47.A N.A GLN 43.A O.B no hydrogen 2.948 N/A GLU 47.A N.B GLN 43.A O.A no hydrogen 2.958 N/A GLU 47.A N.B GLN 43.A O.B no hydrogen 2.955 N/A GLN 48.A N LYS 44.A O no hydrogen 2.928 N/A ASN 49.A N GLN 45.A O no hydrogen 3.084 N/A ASN 49.A ND2 GLN 45.A O no hydrogen 2.859 N/A HIS 50.A N GLU 47.A O.A no hydrogen 3.125 N/A HIS 50.A N GLU 47.A O.B no hydrogen 3.144 N/A LEU 51.A N LEU 46.A O no hydrogen 2.810 N/A THR 52.A N ASP 27.A O no hydrogen 3.053 N/A ALA 54.A N VAL 29.A O no hydrogen 2.898 N/A ASN 57.A N LEU 32.A O no hydrogen 2.807 N/A THR 58.A N HIS 100.A O no hydrogen 3.026 N/A ASP 62.A N GLU 67.A OE1 no hydrogen 2.579 N/A ALA 65.A N ASP 62.A O no hydrogen 2.960 N/A GLY 66.A N ILE 63.A O no hydrogen 3.085 N/A GLU 67.A N ASP 62.A O no hydrogen 3.115 N/A GLY 69.A N PRO 60.A O no hydrogen 2.919 N/A ALA 72.A N ALA 102.A O no hydrogen 3.018 N/A LEU 73.A N LEU 70.A O no hydrogen 3.145 N/A ARG 76.A N LEU 73.A O no hydrogen 3.126 N/A ARG 76.A NE GLU 79.A OE2 no hydrogen 2.553 N/A ARG 76.A NH1 GLU 67.A OE2 no hydrogen 2.943 N/A ARG 76.A NH2 GLU 79.A OE1 no hydrogen 3.101 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.753 N/A GLU 79.A N ARG 76.A O no hydrogen 2.937 N/A ALA 80.A N ARG 76.A O no hydrogen 2.932 N/A HIS 81.A N GLU 77.A O no hydrogen 2.886 N/A ALA 82.A N HIS 78.A O no hydrogen 3.133 N/A ASP 83.A N GLU 79.A O no hydrogen 2.953 N/A ILE 84.A N ALA 80.A O no hydrogen 2.847 N/A ASP 85.A N HIS 81.A O no hydrogen 2.764 N/A LEU 86.A N ALA 82.A O no hydrogen 2.970 N/A ALA 87.A N ASP 83.A O no hydrogen 3.046 N/A LEU 88.A N ILE 84.A O no hydrogen 3.037 N/A GLU 89.A N ASP 85.A O no hydrogen 3.050 N/A TYR 90.A N LEU 86.A O no hydrogen 3.011 N/A TYR 90.A OH TYR 37.A O no hydrogen 2.696 N/A ALA 91.A N ALA 87.A O no hydrogen 2.779 N/A LEU 92.A N LEU 88.A O no hydrogen 2.897 N/A ALA 93.A N GLU 89.A O no hydrogen 3.195 N/A LEU 94.A N TYR 90.A O no hydrogen 2.830 N/A ASN 95.A N.A LEU 92.A O no hydrogen 3.413 N/A ASN 95.A N.B LEU 92.A O no hydrogen 3.404 N/A CYS 96.A N ALA 91.A O no hydrogen 2.896 N/A CYS 96.A SG LEU 53.A O no hydrogen 3.406 N/A CYS 96.A SG GLN 98.A O no hydrogen 3.162 N/A GLN 98.A NE2 ALA 54.A O no hydrogen 3.126 N/A GLN 98.A NE2 HIS 198.A ND1 no hydrogen 3.303 N/A VAL 99.A N ARG 135.A O no hydrogen 3.181 N/A HIS 100.A N PHE 56.A O no hydrogen 2.953 N/A VAL 101.A N LEU 137.A O no hydrogen 3.149 N/A ALA 102.A N TYR 149.A OH no hydrogen 2.885 N/A VAL 105.A N HIS 148.A O no hydrogen 2.878 N/A GLU 109.A N PRO 106.A O no hydrogen 3.037 N/A ARG 113.A N ASP 110.A O no hydrogen 3.227 N/A ARG 113.A N ASP 110.A OD2 no hydrogen 3.072 N/A TYR 114.A OH GLU 109.A OE1 no hydrogen 3.172 N/A ARG 115.A N ALA 111.A O no hydrogen 2.896 N/A ARG 115.A NH1 GLU 163.A OE1 no hydrogen 2.861 N/A ARG 115.A NH2 GLU 163.A OE2 no hydrogen 2.950 N/A ALA 116.A N GLU 112.A O no hydrogen 2.980 N/A VAL 117.A N ARG 113.A O no hydrogen 3.230 N/A PHE 118.A N TYR 114.A O no hydrogen 2.902 N/A ILE 119.A N ARG 115.A O no hydrogen 2.953 N/A ASP 120.A N ALA 116.A O no hydrogen 3.251 N/A ASN 121.A N VAL 117.A O no hydrogen 3.076 N/A ILE 122.A N PHE 118.A O no hydrogen 2.853 N/A ARG 123.A N ILE 119.A O no hydrogen 3.049 N/A ARG 123.A NE VAL 164.A O no hydrogen 2.916 N/A ARG 123.A NH2 GLU 163.A O no hydrogen 2.880 N/A TYR 124.A N ASP 120.A O no hydrogen 3.063 N/A TYR 124.A OH ASP 85.A OD1 no hydrogen 2.812 N/A TYR 124.A OH ASP 85.A OD2 no hydrogen 3.051 N/A ALA 125.A N ASN 121.A O no hydrogen 2.940 N/A ALA 126.A N ILE 122.A O no hydrogen 2.789 N/A ASP 127.A N ARG 123.A O no hydrogen 2.979 N/A ARG 128.A N TYR 124.A O no hydrogen 3.058 N/A ARG 128.A NE ASP 85.A OD1 no hydrogen 3.138 N/A PHE 129.A N ALA 125.A O no hydrogen 2.913 N/A ALA 130.A N ALA 126.A O no hydrogen 2.945 N/A HIS 132.A N PHE 129.A O no hydrogen 3.046 N/A GLY 133.A N ALA 130.A O no hydrogen 2.855 N/A LYS 134.A N PHE 129.A O no hydrogen 3.218 N/A LYS 134.A NZ ALA 91.A O no hydrogen 3.199 N/A LYS 134.A NZ CYS 96.A O no hydrogen 2.797 N/A ARG 135.A N GLU 97.A O no hydrogen 2.866 N/A ARG 135.A NE GLN 98.A OE1 no hydrogen 2.776 N/A ARG 135.A NH1 GLU 97.A OE1 no hydrogen 3.200 N/A ARG 135.A NH2 GLU 97.A OE1 no hydrogen 2.798 N/A ARG 135.A NH2 GLN 98.A OE1 no hydrogen 3.325 N/A ILE 136.A N ASN 168.A O no hydrogen 2.875 N/A LEU 137.A N VAL 99.A O no hydrogen 2.812 N/A VAL 138.A N.A PHE 170.A O no hydrogen 2.985 N/A VAL 138.A N.B PHE 170.A O no hydrogen 2.998 N/A LEU 141.A N PHE 151.A O no hydrogen 3.295 N/A SER 142.A N HIS 177.A ND1 no hydrogen 3.057 N/A SER 142.A OG HIS 177.A ND1 no hydrogen 2.826 N/A VAL 145.A N SER 142.A O no hydrogen 3.073 N/A LYS 146.A N SER 142.A O no hydrogen 2.991 N/A TYR 149.A N LYS 146.A O no hydrogen 3.343 N/A LEU 150.A N GLY 103.A O no hydrogen 2.958 N/A SER 152.A N GLN 156.A OE1 no hydrogen 2.898 N/A SER 153.A N GLN 156.A OE1 no hydrogen 2.936 N/A SER 153.A OG ASP 182.A OD1 no hydrogen 2.562 N/A SER 153.A OG ASP 182.A OD2 no hydrogen 3.475 N/A GLN 154.A N ASP 182.A OD2 no hydrogen 2.871 N/A TYR 155.A N SER 153.A OG no hydrogen 3.102 N/A GLN 156.A N SER 153.A O no hydrogen 2.918 N/A ALA 157.A N SER 153.A O no hydrogen 3.094 N/A LEU 158.A N GLN 154.A O no hydrogen 2.819 N/A ALA 159.A N TYR 155.A O no hydrogen 2.998 N/A ILE 160.A N GLN 156.A O no hydrogen 3.018 N/A VAL 161.A N ALA 157.A O no hydrogen 3.045 N/A GLU 162.A N LEU 158.A O no hydrogen 2.990 N/A GLU 163.A N ALA 159.A O no hydrogen 3.029 N/A VAL 164.A N ILE 160.A O no hydrogen 2.894 N/A ALA 165.A N VAL 161.A O no hydrogen 3.211 N/A ARG 166.A NE ASP 127.A OD1 no hydrogen 2.762 N/A ARG 166.A NH1 ALA 165.A O no hydrogen 3.237 N/A ARG 166.A NH2 ASP 127.A OD2 no hydrogen 3.034 N/A ASN 168.A ND2 ALA 126.A O no hydrogen 3.025 N/A ASN 168.A ND2 LYS 134.A O no hydrogen 3.054 N/A PHE 170.A N ILE 136.A O no hydrogen 3.017 N/A ILE 171.A N LYS 195.A O no hydrogen 2.977 N/A GLN 172.A N VAL 138.A O.A no hydrogen 2.813 N/A GLN 172.A N VAL 138.A O.B no hydrogen 2.799 N/A LEU 173.A N HIS 198.A O no hydrogen 2.918 N/A THR 175.A N GLN 200.A O no hydrogen 2.889 N/A THR 175.A OG1 GLN 200.A O no hydrogen 3.129 N/A THR 175.A OG1 TYR 217.A OH no hydrogen 2.743 N/A PHE 176.A N ASP 174.A OD1 no hydrogen 2.927 N/A HIS 177.A ND1 SER 142.A OG no hydrogen 2.826 N/A ALA 178.A N ASP 174.A O no hydrogen 3.006 N/A GLN 179.A N THR 175.A O no hydrogen 2.940 N/A GLN 179.A NE2 GLU 214.A OE2 no hydrogen 2.787 N/A LYS 180.A N PHE 176.A O no hydrogen 3.088 N/A LYS 180.A NZ PRO 205.A O no hydrogen 2.942 N/A VAL 181.A N HIS 177.A O no hydrogen 2.965 N/A ASP 182.A N ALA 178.A O no hydrogen 2.735 N/A GLY 183.A N ALA 178.A O no hydrogen 2.898 N/A HIS 187.A N ASN 184.A OD1 no hydrogen 3.391 N/A HIS 187.A ND1 ASP 191.A OD2 no hydrogen 2.584 N/A LEU 188.A N ASN 184.A O no hydrogen 3.417 N/A ILE 189.A N LEU 185.A O no hydrogen 2.915 N/A ARG 190.A N THR 186.A O no hydrogen 2.820 N/A ASP 191.A N HIS 187.A O no hydrogen 2.904 N/A TYR 192.A N LEU 188.A O no hydrogen 3.228 N/A ALA 193.A N ARG 190.A O no hydrogen 3.397 N/A LYS 195.A N TYR 192.A O no hydrogen 2.841 N/A TYR 196.A OH ILE 189.A O no hydrogen 2.605 N/A ALA 197.A N ILE 171.A O no hydrogen 3.156 N/A HIS 198.A NE2 GLU 30.A OE1 no hydrogen 2.700 N/A VAL 199.A N TRP 232.A O no hydrogen 3.458 N/A GLN 200.A N LEU 173.A O no hydrogen 3.048 N/A GLN 200.A NE2 GLU 30.A OE2 no hydrogen 2.818 N/A ILE 201.A N GLY 234.A O no hydrogen 2.877 N/A ALA 202.A N TYR 217.A OH no hydrogen 3.528 N/A GLY 203.A N HIS 208.A O no hydrogen 2.792 N/A ARG 207.A N GLY 203.A O no hydrogen 2.772 N/A ARG 207.A NE GLU 236.A O no hydrogen 3.366 N/A HIS 208.A ND1 LYS 238.A O.A no hydrogen 2.634 N/A HIS 208.A ND1 LYS 238.A O.B no hydrogen 2.632 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.691 N/A GLU 214.A N LEU 204.A O no hydrogen 3.291 N/A TYR 217.A OH THR 175.A OG1 no hydrogen 2.743 N/A TYR 217.A OH ALA 202.A O no hydrogen 2.755 N/A TRP 219.A N ASN 216.A O no hydrogen 3.213 N/A LEU 220.A N ASN 216.A O no hydrogen 3.339 N/A PHE 221.A N TYR 217.A O no hydrogen 2.890 N/A ARG 222.A N PRO 218.A O no hydrogen 3.334 N/A LEU 223.A N TRP 219.A O no hydrogen 3.283 N/A PHE 224.A N LEU 220.A O no hydrogen 2.975 N/A ASP 225.A N.A PHE 221.A O no hydrogen 3.082 N/A ASP 225.A N.B PHE 221.A O no hydrogen 3.073 N/A GLU 226.A N.A ARG 222.A O no hydrogen 3.009 N/A GLU 226.A N.B ARG 222.A O no hydrogen 2.984 N/A VAL 227.A N LEU 223.A O no hydrogen 3.039 N/A GLY 228.A N ASP 225.A O.A no hydrogen 2.853 N/A GLY 228.A N ASP 225.A O.B no hydrogen 2.973 N/A TYR 229.A N PHE 224.A O no hydrogen 2.899 N/A TYR 229.A OH ALA 197.A O no hydrogen 3.368 N/A TYR 229.A OH TRP 232.A O no hydrogen 2.645 N/A ILE 233.A N ARG 2.A O no hydrogen 2.823 N/A GLY 234.A N VAL 199.A O no hydrogen 2.709 N/A CYS 235.A N ALA 4.A O no hydrogen 2.776 N/A CYS 235.A SG ALA 4.A O no hydrogen 3.913 N/A CYS 235.A SG ILE 233.A O no hydrogen 3.894 N/A GLU 236.A N ILE 201.A O no hydrogen 3.161 N/A LYS 238.A N.A ARG 207.A O no hydrogen 2.874 N/A LYS 238.A N.B ARG 207.A O no hydrogen 2.861 N/A ARG 240.A N GLU 209.A OE1 no hydrogen 3.072 N/A THR 243.A N GLU 11.A OE2 no hydrogen 3.125 N/A THR 243.A OG1 GLU 11.A OE1 no hydrogen 2.742 N/A THR 243.A OG1 GLU 11.A OE2 no hydrogen 3.330 N/A GLY 246.A N THR 243.A O no hydrogen 3.086 N/A LEU 247.A N GLU 244.A O.A no hydrogen 3.350 N/A LEU 247.A N GLU 244.A O.B no hydrogen 3.311 N/A TRP 249.A NE1 TYR 237.A OH no hydrogen 3.042 N/A PHE 250.A N LEU 247.A O no hydrogen 2.994 N/A ASP 251.A N LEU 247.A O no hydrogen 3.387 N/A ALA 252.A N GLY 248.A O no hydrogen 3.233 N/A TRP 253.A N TRP 249.A O no hydrogen 3.116 N/A ARG 254.A N PHE 250.A O no hydrogen 2.858 N/A GLY 255.A N ASP 251.A O no hydrogen 2.951 N/A SER 256.A N ALA 252.A O no hydrogen 3.133 N/A