Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aja_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG ARG 94.A O no hydrogen 4.041 N/A ASP 5.A N ASP 48.A O no hydrogen 2.924 N/A VAL 6.A N ARG 49.A O no hydrogen 2.953 N/A MET 7.A N SER 99.A O no hydrogen 2.766 N/A MET 8.A N GLN 51.A O no hydrogen 2.688 N/A VAL 9.A N VAL 101.A O no hydrogen 2.686 N/A SER 10.A N TYR 53.A O no hydrogen 2.883 N/A ILE 11.A N ALA 103.A O no hydrogen 2.894 N/A GLY 13.A N GLU 16.A OE1 no hydrogen 3.399 N/A THR 14.A N SER 106.A OG no hydrogen 3.389 N/A THR 14.A OG1 GLN 107.A OE1 no hydrogen 2.987 N/A TRP 15.A N ALA 59.A O no hydrogen 2.774 N/A TRP 15.A NE1 GLN 70.A OE1 no hydrogen 2.924 N/A SER 17.A OG SER 18.A O no hydrogen 3.449 N/A SER 17.A OG THR 55.A O no hydrogen 2.919 N/A SER 17.A OG TYR 57.A O no hydrogen 3.237 N/A SER 18.A OG GLN 28.A OE1 no hydrogen 3.099 N/A THR 20.A N SER 18.A OG no hydrogen 3.150 N/A ASP 21.A N SER 18.A O no hydrogen 3.276 N/A ASP 22.A N ASP 21.A OD1 no hydrogen 3.125 N/A PHE 24.A N ASP 22.A OD2 no hydrogen 2.884 N/A THR 27.A N ASP 21.A OD1 no hydrogen 3.116 N/A THR 27.A OG1 ASN 25.A O no hydrogen 2.858 N/A GLN 28.A NE2 SER 18.A OG no hydrogen 3.195 N/A SER 32.A N PHE 29.A O no hydrogen 2.780 N/A SER 32.A OG GLU 16.A OE1 no hydrogen 3.466 N/A LEU 33.A N GLU 16.A OE1 no hydrogen 3.292 N/A LEU 33.A N GLU 16.A OE2 no hydrogen 3.405 N/A SER 35.A N SER 32.A O no hydrogen 3.130 N/A ASN 36.A N LEU 33.A O no hydrogen 2.971 N/A ASN 36.A ND2 LEU 33.A O no hydrogen 3.258 N/A ILE 37.A N MET 34.A O no hydrogen 3.275 N/A SER 38.A N MET 34.A O no hydrogen 2.964 N/A SER 38.A OG MET 34.A O no hydrogen 2.772 N/A LYS 39.A N SER 35.A O no hydrogen 3.036 N/A LYS 39.A NZ PRO 26.A O no hydrogen 2.709 N/A LEU 41.A N ILE 37.A O no hydrogen 3.468 N/A ALA 42.A N SER 38.A O no hydrogen 3.085 N/A GLU 43.A N LYS 39.A O no hydrogen 3.395 N/A GLN 44.A N PRO 40.A O no hydrogen 3.061 N/A ARG 49.A NH1 ASP 5.A OD1 no hydrogen 2.691 N/A ARG 49.A NH1 PRO 258.A O no hydrogen 3.232 N/A ARG 49.A NH2 GLU 255.A O no hydrogen 2.849 N/A ARG 49.A NH2 ALA 257.A O no hydrogen 2.797 N/A LEU 50.A N GLY 46.A O no hydrogen 2.934 N/A GLN 51.A N VAL 6.A O no hydrogen 2.989 N/A TYR 53.A N MET 8.A O no hydrogen 2.803 N/A THR 54.A N PRO 23.A O no hydrogen 2.732 N/A THR 55.A N SER 10.A O no hydrogen 3.101 N/A THR 55.A OG1 SER 10.A O no hydrogen 3.503 N/A THR 55.A OG1 THR 84.A OG1 no hydrogen 3.137 N/A TYR 57.A N SER 17.A OG no hydrogen 3.120 N/A TYR 57.A OH PRO 12.A O no hydrogen 2.606 N/A THR 58.A N GLU 79.A OE2 no hydrogen 2.614 N/A THR 58.A OG1 GLU 79.A OE1 no hydrogen 2.673 N/A THR 58.A OG1 GLU 79.A OE2 no hydrogen 2.774 N/A GLN 60.A N SER 76.A OG no hydrogen 3.048 N/A PHE 61.A N GLN 70.A OE1 no hydrogen 3.229 N/A HIS 62.A N MET 71.A O no hydrogen 3.041 N/A ASN 63.A N ASP 68.A OD2 no hydrogen 2.994 N/A PHE 65.A N ASN 63.A OD1 no hydrogen 2.640 N/A ALA 66.A N ASN 63.A OD1 no hydrogen 3.184 N/A MET 71.A N GLN 60.A OE1 no hydrogen 2.807 N/A TYR 73.A OH GLU 160.A OE1 no hydrogen 2.770 N/A ASN 74.A N GLY 173.A O no hydrogen 3.044 N/A ASP 75.A N ASP 75.A OD1 no hydrogen 2.299 N/A SER 76.A N SER 72.A O no hydrogen 2.992 N/A SER 76.A OG GLN 60.A O no hydrogen 3.215 N/A ARG 77.A N TYR 73.A O no hydrogen 2.913 N/A ARG 77.A NH2 GLU 160.A OE1 no hydrogen 2.913 N/A ARG 77.A NH2 THR 175.A O no hydrogen 3.054 N/A ALA 78.A N ASN 74.A O no hydrogen 2.966 N/A GLU 79.A N ASP 75.A O no hydrogen 2.603 N/A GLY 80.A N SER 76.A O no hydrogen 2.942 N/A MET 81.A N ARG 77.A O no hydrogen 3.110 N/A ARG 82.A N ALA 78.A O no hydrogen 3.030 N/A THR 83.A N GLU 79.A O no hydrogen 2.867 N/A THR 83.A OG1 GLU 79.A O no hydrogen 3.279 N/A THR 84.A N GLY 80.A O no hydrogen 3.155 N/A THR 84.A OG1 THR 55.A OG1 no hydrogen 3.137 N/A THR 84.A OG1 GLY 80.A O no hydrogen 2.710 N/A VAL 85.A N MET 81.A O no hydrogen 2.908 N/A LYS 86.A N ARG 82.A O no hydrogen 3.045 N/A ALA 87.A N THR 83.A O no hydrogen 3.118 N/A MET 88.A N THR 84.A O no hydrogen 2.884 N/A THR 89.A N VAL 85.A O no hydrogen 2.629 N/A THR 89.A OG1 VAL 85.A O no hydrogen 3.013 N/A ASP 90.A N LYS 86.A O no hydrogen 2.967 N/A MET 91.A N ALA 87.A O no hydrogen 3.289 N/A ASN 92.A N MET 88.A O no hydrogen 3.138 N/A ASP 93.A N THR 89.A O no hydrogen 3.047 N/A ARG 94.A N ASP 90.A O no hydrogen 2.938 N/A CYS 95.A N MET 91.A O no hydrogen 2.775 N/A THR 98.A N CYS 95.A O no hydrogen 3.101 N/A THR 98.A OG1 PRO 4.A O no hydrogen 2.715 N/A SER 99.A N ASP 5.A O no hydrogen 3.227 N/A SER 99.A OG LEU 130.A O no hydrogen 3.395 N/A TYR 100.A N LEU 130.A O no hydrogen 2.793 N/A VAL 101.A N MET 7.A O no hydrogen 2.921 N/A ILE 102.A N GLY 133.A O no hydrogen 3.388 N/A ALA 103.A N VAL 9.A O no hydrogen 2.933 N/A GLY 104.A N THR 135.A O no hydrogen 3.186 N/A PHE 105.A N ILE 11.A O no hydrogen 3.152 N/A SER 106.A N ILE 137.A O no hydrogen 2.958 N/A SER 106.A OG PHE 105.A O no hydrogen 3.458 N/A GLN 107.A N SER 106.A OG no hydrogen 2.401 N/A GLN 107.A NE2 SER 76.A OG no hydrogen 2.593 N/A VAL 110.A N SER 106.A O no hydrogen 3.022 N/A ILE 111.A N GLN 107.A O no hydrogen 3.074 N/A ALA 112.A N GLY 108.A O no hydrogen 2.752 N/A GLY 113.A N ALA 109.A O no hydrogen 2.925 N/A ASP 114.A N VAL 110.A O no hydrogen 2.959 N/A ILE 115.A N ILE 111.A O no hydrogen 3.074 N/A ALA 116.A N ALA 112.A O no hydrogen 3.021 N/A SER 117.A N GLY 113.A O no hydrogen 2.846 N/A SER 117.A OG GLY 183.A O no hydrogen 2.816 N/A ASP 118.A N ASP 114.A O no hydrogen 3.214 N/A ILE 119.A N ILE 115.A O no hydrogen 2.960 N/A GLY 120.A N ALA 116.A O no hydrogen 2.795 N/A ASN 121.A N ASP 118.A O no hydrogen 2.926 N/A ASN 121.A ND2 SER 117.A O no hydrogen 2.864 N/A ASN 121.A ND2 GLY 182.A O no hydrogen 3.326 N/A ASN 121.A ND2 GLY 183.A O no hydrogen 3.561 N/A GLY 122.A N ILE 119.A O no hydrogen 3.145 N/A ARG 123.A N ASP 118.A O no hydrogen 2.754 N/A ARG 123.A NE ASP 118.A OD2 no hydrogen 3.068 N/A ARG 123.A NH2 ASP 118.A OD2 no hydrogen 3.159 N/A ARG 123.A NH2 PRO 181.A O no hydrogen 3.291 N/A ASP 129.A N ASP 129.A OD1 no hydrogen 2.602 N/A LEU 130.A N ASP 127.A O no hydrogen 3.076 N/A VAL 131.A N GLU 128.A O no hydrogen 3.050 N/A LEU 132.A N TYR 100.A O no hydrogen 2.846 N/A VAL 134.A N ARG 190.A O no hydrogen 2.946 N/A THR 135.A N ILE 102.A O no hydrogen 2.984 N/A LEU 136.A N ASN 192.A O no hydrogen 2.896 N/A ILE 137.A N GLY 104.A O no hydrogen 2.815 N/A ALA 138.A N ILE 194.A O no hydrogen 3.063 N/A ARG 141.A N ASP 139.A OD1 no hydrogen 2.983 N/A ARG 141.A NH1 GLY 178.A O no hydrogen 2.739 N/A ARG 142.A N ASP 139.A O no hydrogen 2.887 N/A ARG 142.A NE CYS 202.A O no hydrogen 2.854 N/A ARG 142.A NH1 PRO 154.A O no hydrogen 2.919 N/A ARG 142.A NH2 PRO 154.A O no hydrogen 2.707 N/A ARG 142.A NH2 CYS 202.A O no hydrogen 3.143 N/A GLY 147.A N ASP 188.A OD2 no hydrogen 3.126 N/A GLN 148.A N THR 191.A O no hydrogen 2.677 N/A VAL 150.A N GLN 193.A O no hydrogen 3.074 N/A ASN 153.A ND2 ASP 149.A OD1 no hydrogen 2.871 N/A ASN 153.A ND2 GLN 193.A O no hydrogen 2.862 N/A GLY 158.A N ARG 142.A O no hydrogen 2.846 N/A ALA 159.A N ILE 201.A O no hydrogen 2.813 N/A GLU 160.A N GLY 140.A O no hydrogen 2.798 N/A ILE 161.A N GLY 158.A O no hydrogen 2.787 N/A THR 162.A N GLY 158.A O no hydrogen 3.106 N/A LEU 163.A N ALA 159.A O no hydrogen 2.957 N/A HIS 164.A N ILE 161.A O no hydrogen 3.242 N/A VAL 166.A N LEU 163.A O no hydrogen 3.233 N/A ALA 171.A N PRO 167.A O no hydrogen 3.254 N/A LEU 172.A N ALA 168.A O no hydrogen 2.763 N/A LEU 172.A N LEU 169.A O no hydrogen 3.151 N/A GLY 173.A N SER 170.A O no hydrogen 2.787 N/A LEU 174.A N LEU 169.A O no hydrogen 2.996 N/A THR 175.A N ASN 74.A OD1 no hydrogen 2.915 N/A THR 177.A N GLU 160.A OE2 no hydrogen 3.084 N/A THR 177.A OG1 GLU 160.A OE2 no hydrogen 2.671 N/A GLY 178.A N GLU 160.A O no hydrogen 2.823 N/A ARG 180.A NH1 ASP 114.A OD1 no hydrogen 3.168 N/A ARG 180.A NH2 ASP 139.A OD2 no hydrogen 2.183 N/A GLY 183.A N ARG 180.A O no hydrogen 3.051 N/A GLY 185.A N GLY 182.A O no hydrogen 3.243 N/A ALA 186.A N GLY 120.A O no hydrogen 2.927 N/A LEU 187.A N PHE 184.A O no hydrogen 2.923 N/A ASP 188.A N GLY 185.A O no hydrogen 3.196 N/A ARG 190.A N LEU 187.A O no hydrogen 2.944 N/A ARG 190.A NE VAL 131.A O no hydrogen 3.046 N/A ARG 190.A NH1 GLU 128.A OE1 no hydrogen 3.042 N/A ARG 190.A NH2 GLU 128.A OE1 no hydrogen 2.709 N/A ARG 190.A NH2 VAL 131.A O no hydrogen 3.357 N/A THR 191.A OG1 LEU 187.A O no hydrogen 2.724 N/A ASN 192.A N VAL 134.A O no hydrogen 2.600 N/A ASN 192.A ND2 THR 135.A OG1 no hydrogen 3.153 N/A GLN 193.A N GLN 148.A O no hydrogen 2.765 N/A ILE 194.A N LEU 136.A O no hydrogen 3.023 N/A CYS 195.A N ASN 153.A OD1 no hydrogen 2.743 N/A GLY 196.A N TYR 229.A OH no hydrogen 2.568 N/A ASP 199.A N GLY 196.A O no hydrogen 2.825 N/A ILE 201.A N ASP 199.A OD1 no hydrogen 3.185 N/A CYS 202.A SG ASP 199.A OD2 no hydrogen 3.601 N/A CYS 202.A SG TYR 229.A OH no hydrogen 3.891 N/A SER 203.A N ASP 199.A O no hydrogen 2.900 N/A ALA 204.A N GLN 157.A O no hydrogen 2.787 N/A ALA 208.A N PRO 205.A O no hydrogen 2.991 N/A PHE 209.A N GLU 206.A O no hydrogen 3.408 N/A PHE 212.A N SER 210.A OG no hydrogen 3.135 N/A ASN 213.A N SER 210.A O no hydrogen 3.403 N/A THR 217.A N LEU 214.A O no hydrogen 3.040 N/A THR 217.A OG1 SER 210.A O no hydrogen 3.112 N/A THR 217.A OG1 ASN 213.A O no hydrogen 2.657 N/A LEU 218.A N LEU 214.A O no hydrogen 2.956 N/A GLU 219.A N PRO 215.A O no hydrogen 2.965 N/A THR 220.A N LYS 216.A O no hydrogen 3.214 N/A THR 220.A OG1 LYS 216.A O no hydrogen 2.861 N/A LEU 221.A N THR 217.A O no hydrogen 2.842 N/A SER 222.A N LEU 218.A O no hydrogen 2.743 N/A SER 222.A OG LEU 218.A O no hydrogen 3.092 N/A SER 222.A OG GLU 219.A O no hydrogen 2.962 N/A GLY 223.A N GLU 219.A O no hydrogen 3.061 N/A LEU 228.A N PRO 224.A O no hydrogen 2.984 N/A TYR 229.A OH ASP 199.A OD2 no hydrogen 2.920 N/A TRP 235.A NE1 VAL 150.A O no hydrogen 3.097 N/A GLU 237.A N GLN 240.A O no hydrogen 3.268 N/A GLN 240.A N GLU 237.A O no hydrogen 3.519 N/A THR 241.A N GLN 244.A OE1 no hydrogen 2.759 N/A TRP 245.A N THR 241.A O no hydrogen 2.665 N/A THR 246.A N ALA 242.A O no hydrogen 3.258 N/A LEU 247.A N THR 243.A O no hydrogen 3.008 N/A GLU 248.A N GLN 244.A O no hydrogen 3.058 N/A TRP 249.A N TRP 245.A O no hydrogen 2.890 N/A ALA 250.A N THR 246.A O no hydrogen 3.244 N/A ARG 251.A N LEU 247.A O no hydrogen 2.760 N/A ARG 251.A NH2 GLU 248.A OE2 no hydrogen 3.155 N/A ASN 252.A N GLU 248.A O no hydrogen 2.990 N/A LEU 253.A N TRP 249.A O no hydrogen 3.060 N/A VAL 254.A N ALA 250.A O no hydrogen 2.816 N/A GLU 255.A N ARG 251.A O no hydrogen 3.435 N/A ASN 256.A N ASN 252.A O no hydrogen 3.302 N/A ALA 257.A N VAL 254.A O no hydrogen 3.252 N/A