Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aji_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASN 10.A OD1 no hydrogen 2.785 N/A SER 4.A OG ASP 35.A OD2 no hydrogen 2.750 N/A ILE 6.A N SER 4.A OG no hydrogen 3.059 N/A CYS 9.A SG ARG 39.A O no hydrogen 3.846 N/A ASN 10.A N ILE 6.A O no hydrogen 3.295 N/A ASN 10.A ND2 SER 4.A O no hydrogen 3.144 N/A LEU 11.A N MET 7.A O no hydrogen 2.966 N/A ALA 12.A N ILE 8.A O no hydrogen 2.907 N/A TYR 13.A N CYS 9.A O no hydrogen 3.018 N/A SER 14.A N ASN 10.A O no hydrogen 2.834 N/A SER 14.A OG ASN 10.A O no hydrogen 3.114 N/A GLY 15.A N ALA 12.A O no hydrogen 3.368 N/A LYS 16.A N LEU 11.A O no hydrogen 3.064 N/A LEU 17.A N GLY 15.A O no hydrogen 3.025 N/A LEU 20.A N LYS 16.A O no hydrogen 3.047 N/A LYS 21.A N LEU 17.A O no hydrogen 2.859 N/A GLU 22.A N ASP 18.A O no hydrogen 3.162 N/A ARG 23.A N GLU 19.A O no hydrogen 3.097 N/A ARG 23.A NH1 GLU 19.A OE2 no hydrogen 2.376 N/A ILE 24.A N LEU 20.A O no hydrogen 3.139 N/A LEU 25.A N LYS 21.A O no hydrogen 2.984 N/A ALA 26.A N GLU 22.A O no hydrogen 3.200 N/A ASP 27.A N ARG 23.A O no hydrogen 3.216 N/A ASP 27.A N ILE 24.A O no hydrogen 2.728 N/A LYS 28.A NZ LEU 60.A O no hydrogen 3.113 N/A SER 29.A N ASP 27.A OD1 no hydrogen 3.162 N/A SER 29.A OG ASP 27.A OD1 no hydrogen 2.827 N/A SER 29.A OG ASP 27.A OD2 no hydrogen 3.309 N/A LEU 30.A N ASP 27.A O no hydrogen 2.993 N/A ALA 31.A N LYS 28.A O no hydrogen 3.002 N/A THR 32.A N SER 29.A O no hydrogen 3.083 N/A THR 32.A OG1 SER 29.A O no hydrogen 3.535 N/A ARG 33.A N LEU 30.A O no hydrogen 3.488 N/A ASP 35.A N ARG 39.A O no hydrogen 2.842 N/A GLN 36.A N ASN 5.A OD1 no hydrogen 2.941 N/A ASP 37.A N ASP 35.A OD1 no hydrogen 2.804 N/A SER 38.A N ASP 35.A O no hydrogen 2.819 N/A ARG 39.A N ASP 35.A OD1 no hydrogen 2.798 N/A ARG 39.A NE ASP 68.A OD2 no hydrogen 2.822 N/A ARG 39.A NH2 ASP 68.A OD2 no hydrogen 3.231 N/A THR 40.A N HIS 43.A ND1 no hydrogen 3.030 N/A LEU 42.A N THR 40.A OG1 no hydrogen 3.218 N/A HIS 43.A NE2 ASP 66.A O no hydrogen 2.906 N/A TRP 44.A N THR 40.A O no hydrogen 3.297 N/A TRP 44.A NE1 ASP 35.A OD2 no hydrogen 2.807 N/A ALA 45.A N ALA 41.A O no hydrogen 2.902 N/A CYS 46.A N LEU 42.A O no hydrogen 3.067 N/A CYS 46.A SG LEU 42.A O no hydrogen 3.304 N/A SER 47.A N HIS 43.A O no hydrogen 2.992 N/A ALA 48.A N TRP 44.A O no hydrogen 3.048 N/A GLY 49.A N CYS 46.A O no hydrogen 3.139 N/A HIS 50.A N ALA 45.A O no hydrogen 3.041 N/A HIS 50.A NE2 TYR 13.A O no hydrogen 2.888 N/A VAL 54.A N HIS 50.A O no hydrogen 3.071 N/A GLU 55.A N THR 51.A O no hydrogen 2.835 N/A PHE 56.A N GLU 52.A O no hydrogen 2.991 N/A LEU 57.A N ILE 53.A O no hydrogen 2.936 N/A LEU 58.A N VAL 54.A O no hydrogen 2.776 N/A GLN 59.A N GLU 55.A O no hydrogen 2.743 N/A LEU 60.A N PHE 56.A O no hydrogen 3.064 N/A LEU 60.A N LEU 57.A O no hydrogen 3.121 N/A GLY 61.A N LEU 58.A O no hydrogen 2.913 N/A VAL 62.A N LEU 57.A O no hydrogen 3.465 N/A ASN 65.A ND2 GLY 93.A O no hydrogen 3.071 N/A LYS 67.A NZ VAL 99.A O no hydrogen 3.029 N/A ASP 68.A N TRP 72.A O no hydrogen 3.054 N/A ASP 69.A N ASP 37.A O no hydrogen 2.895 N/A ALA 70.A N ASP 68.A OD1 no hydrogen 2.791 N/A GLY 71.A N ASP 68.A O no hydrogen 2.944 N/A TRP 72.A N ASP 68.A OD1 no hydrogen 2.962 N/A SER 73.A N HIS 76.A ND1 no hydrogen 3.044 N/A SER 73.A OG HIS 76.A ND1 no hydrogen 2.817 N/A HIS 76.A N SER 73.A OG no hydrogen 3.071 N/A HIS 76.A ND1 SER 73.A OG no hydrogen 2.817 N/A HIS 76.A NE2 CYS 104.A O no hydrogen 2.931 N/A ILE 77.A N SER 73.A O no hydrogen 3.079 N/A ALA 78.A N PRO 74.A O no hydrogen 2.952 N/A ALA 79.A N LEU 75.A O no hydrogen 2.915 N/A SER 80.A N HIS 76.A O no hydrogen 3.063 N/A ALA 81.A N ILE 77.A O no hydrogen 2.951 N/A GLY 82.A N ALA 79.A O no hydrogen 3.376 N/A LYS 87.A N ASP 83.A O no hydrogen 3.021 N/A ALA 88.A N GLU 84.A O no hydrogen 3.082 N/A LEU 89.A N ILE 85.A O no hydrogen 2.862 N/A LEU 90.A N VAL 86.A O no hydrogen 2.921 N/A VAL 91.A N LYS 87.A O no hydrogen 3.069 N/A LYS 92.A N ALA 88.A O no hydrogen 3.165 N/A LYS 92.A N LEU 89.A O no hydrogen 3.023 N/A LYS 92.A NZ LEU 58.A O no hydrogen 3.164 N/A GLY 93.A N LEU 90.A O no hydrogen 2.995 N/A ALA 94.A N LEU 89.A O no hydrogen 3.017 N/A HIS 95.A N ASN 65.A OD1 no hydrogen 2.754 N/A ASN 97.A ND2 GLY 126.A O no hydrogen 3.595 N/A ALA 98.A N HIS 95.A O no hydrogen 3.374 N/A ASN 100.A N CYS 104.A O no hydrogen 2.935 N/A ASN 100.A ND2 TYR 109.A OH no hydrogen 2.844 N/A GLN 101.A N ALA 70.A O no hydrogen 2.979 N/A ASN 102.A N ASN 100.A OD1 no hydrogen 2.791 N/A GLY 103.A N ASN 100.A O no hydrogen 2.806 N/A CYS 104.A N ASN 100.A OD1 no hydrogen 3.079 N/A THR 105.A N HIS 108.A ND1 no hydrogen 2.937 N/A THR 105.A OG1 HIS 108.A ND1 no hydrogen 3.212 N/A HIS 108.A N THR 105.A O no hydrogen 3.036 N/A HIS 108.A NE2 ALA 137.A O no hydrogen 2.888 N/A ALA 110.A N PRO 106.A O no hydrogen 2.921 N/A ALA 111.A N LEU 107.A O no hydrogen 2.867 N/A SER 112.A N HIS 108.A O no hydrogen 3.031 N/A LYS 113.A N TYR 109.A O no hydrogen 3.046 N/A LYS 113.A NZ SER 80.A O no hydrogen 3.115 N/A ASN 114.A N ALA 111.A O no hydrogen 3.392 N/A ARG 115.A N ALA 110.A O no hydrogen 2.710 N/A ARG 115.A NE SER 80.A O no hydrogen 2.976 N/A ARG 115.A NH2 SER 80.A O no hydrogen 2.860 N/A ALA 119.A N ARG 115.A O no hydrogen 2.940 N/A VAL 120.A N HIS 116.A O no hydrogen 3.018 N/A MET 121.A N GLU 117.A O no hydrogen 2.951 N/A LEU 122.A N ILE 118.A O no hydrogen 2.748 N/A LEU 123.A N ALA 119.A O no hydrogen 2.761 N/A GLU 124.A N VAL 120.A O no hydrogen 2.747 N/A GLY 125.A N MET 121.A O no hydrogen 2.958 N/A GLY 126.A N LEU 123.A O no hydrogen 3.044 N/A ALA 127.A N LEU 122.A O no hydrogen 2.890 N/A ASN 128.A N ASN 97.A OD1 no hydrogen 2.893 N/A ASP 130.A N ASN 128.A OD1 no hydrogen 2.921 N/A ALA 131.A N ASN 128.A O no hydrogen 3.105 N/A ASP 133.A N ALA 137.A O no hydrogen 2.756 N/A HIS 134.A N ASN 102.A O no hydrogen 2.905 N/A TYR 135.A N ASP 133.A OD1 no hydrogen 2.682 N/A ASP 136.A N ASP 133.A O no hydrogen 2.800 N/A ALA 137.A N ASP 133.A OD1 no hydrogen 2.906 N/A HIS 141.A N THR 138.A OG1 no hydrogen 3.212 N/A ARG 142.A N THR 138.A O no hydrogen 3.215 N/A ARG 142.A NH1 ASP 133.A OD2 no hydrogen 3.302 N/A ARG 142.A NH2 ASP 133.A OD2 no hydrogen 2.934 N/A ALA 143.A N ALA 139.A O no hydrogen 3.060 N/A ALA 144.A N MET 140.A O no hydrogen 2.835 N/A ALA 145.A N HIS 141.A O no hydrogen 3.064 N/A LYS 146.A N ARG 142.A O no hydrogen 3.100 N/A LYS 146.A NZ SER 112.A O no hydrogen 2.849 N/A LYS 146.A NZ SER 112.A OG no hydrogen 2.865 N/A GLY 147.A N ALA 144.A O no hydrogen 3.296 N/A ASN 148.A N ALA 143.A O no hydrogen 2.736 N/A ASN 148.A ND2 ALA 111.A O no hydrogen 2.972 N/A ASN 148.A ND2 SER 112.A O no hydrogen 3.048 N/A VAL 152.A N ASN 148.A O no hydrogen 3.000 N/A HIS 153.A N LEU 149.A O no hydrogen 2.992 N/A ILE 154.A N LYS 150.A O no hydrogen 2.933 N/A LEU 155.A N MET 151.A O no hydrogen 2.921 N/A LEU 156.A N VAL 152.A O no hydrogen 3.028 N/A PHE 157.A N HIS 153.A O no hydrogen 2.896 N/A TYR 158.A N ILE 154.A O no hydrogen 3.231 N/A TYR 158.A N LEU 155.A O no hydrogen 3.095 N/A TYR 158.A OH GLU 124.A OE2 no hydrogen 2.449 N/A LYS 159.A N LEU 156.A O no hydrogen 2.767 N/A ALA 160.A N LEU 155.A O no hydrogen 2.791 N/A SER 161.A N ASP 130.A OD1 no hydrogen 2.842 N/A SER 161.A OG ASP 130.A OD2 no hydrogen 2.752 N/A ASN 163.A ND2 GLY 192.A O no hydrogen 3.007 N/A GLN 165.A NE2 GLY 169.A O no hydrogen 2.932 N/A ASP 166.A N ASN 170.A O no hydrogen 2.747 N/A THR 167.A N TYR 135.A O no hydrogen 2.951 N/A THR 167.A OG1 TYR 135.A O no hydrogen 3.510 N/A GLU 168.A N ASP 166.A OD1 no hydrogen 2.853 N/A GLY 169.A N ASP 166.A O no hydrogen 2.944 N/A ASN 170.A N ASP 166.A OD1 no hydrogen 2.858 N/A THR 171.A N HIS 174.A ND1 no hydrogen 2.997 N/A THR 171.A OG1 HIS 174.A ND1 no hydrogen 3.273 N/A HIS 174.A N THR 171.A OG1 no hydrogen 3.268 N/A HIS 174.A NE2 LYS 203.A O no hydrogen 2.863 N/A LEU 175.A N THR 171.A O no hydrogen 3.300 N/A ALA 176.A N PRO 172.A O no hydrogen 2.892 N/A CYS 177.A N LEU 173.A O no hydrogen 2.834 N/A CYS 177.A SG LEU 173.A O no hydrogen 3.248 N/A CYS 177.A SG PRO 205.A O no hydrogen 3.676 N/A ASP 178.A N HIS 174.A O no hydrogen 2.756 N/A GLU 179.A N LEU 175.A O no hydrogen 3.135 N/A GLU 180.A N CYS 177.A O no hydrogen 3.143 N/A ARG 181.A N ALA 176.A O no hydrogen 2.740 N/A ARG 181.A NE ALA 145.A O no hydrogen 2.924 N/A ARG 181.A NH2 ALA 145.A O no hydrogen 3.403 N/A ARG 181.A NH2 GLU 179.A OE2 no hydrogen 2.916 N/A VAL 182.A N GLU 180.A O no hydrogen 2.916 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.621 N/A ALA 185.A N ARG 181.A O no hydrogen 2.930 N/A LYS 186.A N VAL 182.A O no hydrogen 3.036 N/A PHE 187.A N GLU 183.A O no hydrogen 3.011 N/A LEU 188.A N GLU 184.A O no hydrogen 2.819 N/A VAL 189.A N ALA 185.A O no hydrogen 3.034 N/A THR 190.A N LYS 186.A O no hydrogen 3.074 N/A THR 190.A OG1 LYS 186.A O no hydrogen 3.254 N/A GLN 191.A N PHE 187.A O no hydrogen 3.074 N/A GLN 191.A N LEU 188.A O no hydrogen 3.004 N/A GLY 192.A N VAL 189.A O no hydrogen 3.129 N/A ALA 193.A N LEU 188.A O no hydrogen 2.865 N/A SER 194.A N ASN 163.A OD1 no hydrogen 2.990 N/A TYR 196.A N SER 194.A OG no hydrogen 2.927 N/A TYR 196.A OH GLU 225.A OE2 no hydrogen 2.787 N/A ASN 199.A N LYS 203.A O no hydrogen 2.798 N/A ASN 199.A ND2 ASN 170.A OD1 no hydrogen 3.035 N/A LYS 200.A N GLU 168.A O no hydrogen 2.864 N/A GLU 201.A N ASN 199.A OD1 no hydrogen 2.980 N/A GLU 202.A N ASN 199.A O no hydrogen 3.011 N/A LYS 203.A N ASN 199.A OD1 no hydrogen 2.971 N/A THR 204.A N GLN 207.A OE1 no hydrogen 2.938 N/A THR 204.A OG1 GLN 207.A OE1 no hydrogen 3.534 N/A GLN 207.A N THR 204.A OG1 no hydrogen 3.269 N/A VAL 208.A N THR 204.A O no hydrogen 3.039 N/A ALA 209.A N PRO 205.A O no hydrogen 2.773 N/A GLY 214.A N LYS 210.A O no hydrogen 2.885 N/A LEU 215.A N GLY 211.A O no hydrogen 3.030 N/A ILE 216.A N GLY 212.A O no hydrogen 3.189 N/A LEU 217.A N LEU 213.A O no hydrogen 2.867 N/A LYS 218.A N GLY 214.A O no hydrogen 2.915 N/A ARG 219.A N LEU 215.A O no hydrogen 3.115 N/A LEU 220.A N ILE 216.A O no hydrogen 2.909 N/A ALA 221.A N LEU 217.A O no hydrogen 2.699 N/A GLU 222.A N LYS 218.A O no hydrogen 2.874 N/A GLY 223.A N ARG 219.A O no hydrogen 2.836 N/A GLU 224.A N LEU 220.A O no hydrogen 3.033 N/A GLU 225.A N ALA 221.A O no hydrogen 2.942 N/A ALA 226.A N GLU 222.A O no hydrogen 3.031 N/A ALA 226.A N GLY 223.A O no hydrogen 2.983 N/A SER 227.A N GLY 223.A O no hydrogen 3.188 N/A