Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ak4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N GLY 1.A O no hydrogen 3.384 N/A LEU 5.A N ALA 30.A O no hydrogen 2.946 N/A SER 6.A N ASP 4.A OD1 no hydrogen 2.972 N/A SER 6.A OG ASP 4.A OD1 no hydrogen 2.634 N/A SER 6.A OG ASP 4.A OD2 no hydrogen 3.329 N/A ARG 8.A N LEU 5.A O no hydrogen 3.077 N/A ARG 8.A NH1 ASP 239.A OD1 no hydrogen 2.958 N/A ARG 8.A NH2 ASP 239.A OD1 no hydrogen 3.263 N/A ARG 8.A NH2 ASP 239.A OD2 no hydrogen 2.924 N/A LYS 9.A N ASP 83.A OD2 no hydrogen 2.756 N/A ALA 10.A N THR 33.A O no hydrogen 2.994 N/A ILE 11.A N LEU 84.A O no hydrogen 2.800 N/A VAL 12.A N ALA 35.A O no hydrogen 2.842 N/A THR 13.A N CYS 86.A O no hydrogen 2.934 N/A GLY 14.A N ALA 37.A O no hydrogen 2.904 N/A SER 16.A N ASP 38.A OD2 no hydrogen 3.094 N/A SER 16.A OG ASP 40.A O no hydrogen 2.675 N/A LYS 17.A NZ ASP 40.A OD2 no hydrogen 2.952 N/A ALA 21.A N LYS 17.A O no hydrogen 3.143 N/A ALA 22.A N GLY 18.A O no hydrogen 3.137 N/A ILE 23.A N ILE 19.A O no hydrogen 2.836 N/A ALA 24.A N GLY 20.A O no hydrogen 2.947 N/A ARG 25.A N ALA 21.A O no hydrogen 3.086 N/A ALA 26.A N ALA 22.A O no hydrogen 2.978 N/A LEU 27.A N ILE 23.A O no hydrogen 3.014 N/A ASP 28.A N ALA 24.A O no hydrogen 3.136 N/A LYS 29.A N ARG 25.A O no hydrogen 3.021 N/A ALA 30.A N ALA 26.A O no hydrogen 3.062 N/A ALA 30.A N LEU 27.A O no hydrogen 3.103 N/A GLY 31.A N ASP 28.A O no hydrogen 2.936 N/A ALA 32.A N LEU 27.A O no hydrogen 3.036 N/A THR 33.A N ARG 8.A O no hydrogen 2.983 N/A THR 33.A OG1 ASN 53.A O no hydrogen 3.354 N/A ALA 35.A N ALA 10.A O no hydrogen 2.872 N/A ILE 36.A N PHE 56.A O no hydrogen 2.859 N/A ALA 37.A N VAL 12.A O no hydrogen 2.946 N/A ASP 38.A N VAL 58.A O no hydrogen 3.155 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.805 N/A ALA 43.A N ASP 40.A OD1 no hydrogen 3.027 N/A ALA 44.A N ASP 40.A O no hydrogen 3.157 N/A GLN 45.A N VAL 41.A O no hydrogen 2.825 N/A GLN 45.A NE2 GLN 45.A O no hydrogen 3.205 N/A ALA 46.A N MET 42.A O no hydrogen 3.247 N/A VAL 47.A N ALA 43.A O no hydrogen 3.092 N/A VAL 48.A N ALA 44.A O no hydrogen 2.965 N/A ALA 49.A N GLN 45.A O no hydrogen 2.980 N/A GLY 50.A N VAL 47.A O no hydrogen 3.140 N/A LEU 51.A N VAL 48.A O no hydrogen 3.002 N/A GLU 52.A N ASP 28.A OD2 no hydrogen 2.760 N/A ASN 53.A N ASP 28.A OD1 no hydrogen 2.898 N/A PHE 56.A N VAL 34.A O no hydrogen 3.283 N/A VAL 58.A N ILE 36.A O no hydrogen 2.888 N/A VAL 60.A N ASP 38.A O no hydrogen 3.032 N/A ASP 61.A N SER 67.A OG no hydrogen 2.857 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.027 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.660 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.393 N/A LYS 64.A N ASP 61.A O no hydrogen 3.168 N/A LYS 64.A NZ ASP 61.A OD2 no hydrogen 3.417 N/A ARG 65.A NH1 GLN 121.A OE1 no hydrogen 2.894 N/A ARG 65.A NH2 GLN 121.A OE1 no hydrogen 3.036 N/A SER 67.A OG ASP 61.A O no hydrogen 3.483 N/A VAL 68.A N LYS 64.A O no hydrogen 3.103 N/A ASP 69.A N ARG 65.A O no hydrogen 2.906 N/A ALA 70.A N ALA 66.A O no hydrogen 3.131 N/A ALA 71.A N SER 67.A O no hydrogen 2.886 N/A MET 72.A N VAL 68.A O no hydrogen 2.976 N/A GLN 73.A N ASP 69.A O no hydrogen 3.163 N/A LYS 74.A N ALA 70.A O no hydrogen 3.050 N/A ALA 75.A N ALA 71.A O no hydrogen 3.016 N/A ILE 76.A N MET 72.A O no hydrogen 2.937 N/A ASP 77.A N GLN 73.A O no hydrogen 2.903 N/A ALA 78.A N LYS 74.A O no hydrogen 2.998 N/A LEU 79.A N ALA 75.A O no hydrogen 2.876 N/A GLY 80.A N ILE 76.A O no hydrogen 2.948 N/A GLY 81.A N ILE 76.A O no hydrogen 3.349 N/A ASP 83.A N LYS 9.A O no hydrogen 2.780 N/A LEU 84.A N LYS 9.A O no hydrogen 3.112 N/A LEU 85.A N VAL 135.A O no hydrogen 2.925 N/A CYS 86.A N ILE 11.A O no hydrogen 2.802 N/A ALA 87.A N VAL 137.A O no hydrogen 3.057 N/A ASN 88.A N THR 13.A O no hydrogen 3.123 N/A ASN 88.A N THR 13.A OG1 no hydrogen 3.184 N/A ASN 88.A ND2 THR 139.A OG1 no hydrogen 2.848 N/A VAL 91.A N ASN 112.A OD1 no hydrogen 2.860 N/A SER 92.A OG GLU 195.A OE2 no hydrogen 2.786 N/A THR 93.A OG1 GLU 104.A OE1 no hydrogen 2.749 N/A THR 93.A OG1 HIS 153.A NE2 no hydrogen 2.902 N/A ARG 95.A N LEU 150.A O no hydrogen 3.002 N/A ASP 99.A N PRO 96.A O no hydrogen 2.914 N/A ILE 100.A N ALA 97.A O no hydrogen 3.462 N/A THR 101.A N GLU 104.A OE2 no hydrogen 2.893 N/A THR 101.A OG1 GLU 104.A OE2 no hydrogen 3.526 N/A GLU 104.A N THR 101.A OG1 no hydrogen 3.181 N/A TRP 105.A N THR 101.A O no hydrogen 3.080 N/A ASP 106.A N ASP 102.A O no hydrogen 2.930 N/A PHE 107.A N GLU 103.A O no hydrogen 2.822 N/A ASN 108.A N GLU 104.A O no hydrogen 3.050 N/A ASN 108.A ND2 GLU 104.A O no hydrogen 2.954 N/A PHE 109.A N TRP 105.A O no hydrogen 2.987 N/A ASP 110.A N ASP 106.A O no hydrogen 2.843 N/A VAL 111.A N PHE 107.A O no hydrogen 3.278 N/A ASN 112.A N ASN 108.A O no hydrogen 2.898 N/A ASN 112.A ND2 VAL 91.A O no hydrogen 3.045 N/A ASN 112.A ND2 SER 157.A OG no hydrogen 3.003 N/A ALA 113.A N PHE 109.A O no hydrogen 2.992 N/A ARG 114.A N PHE 109.A O no hydrogen 2.886 N/A ARG 114.A NE ASP 110.A OD1 no hydrogen 3.180 N/A ARG 114.A NH2 ASP 110.A OD1 no hydrogen 2.981 N/A PHE 117.A N ALA 113.A O no hydrogen 3.004 N/A LEU 118.A N ARG 114.A O no hydrogen 2.873 N/A ALA 119.A N GLY 115.A O no hydrogen 3.114 N/A ASN 120.A N VAL 116.A O no hydrogen 2.918 N/A GLN 121.A N PHE 117.A O no hydrogen 2.842 N/A ILE 122.A N LEU 118.A O no hydrogen 3.122 N/A ALA 123.A N ALA 119.A O no hydrogen 3.012 N/A CYS 124.A N ASN 120.A O no hydrogen 2.955 N/A CYS 124.A SG ASN 120.A O no hydrogen 3.399 N/A ARG 125.A N GLN 121.A O no hydrogen 3.162 N/A HIS 126.A N ILE 122.A O no hydrogen 3.044 N/A PHE 127.A N ALA 123.A O no hydrogen 2.927 N/A LEU 128.A N CYS 124.A O no hydrogen 2.858 N/A ALA 129.A N ARG 125.A O no hydrogen 3.172 N/A SER 130.A N HIS 126.A O no hydrogen 3.185 N/A SER 130.A OG HIS 126.A O no hydrogen 3.343 N/A SER 130.A OG THR 132.A OG1 no hydrogen 2.476 N/A ASN 131.A N LEU 128.A O no hydrogen 3.251 N/A THR 132.A N PHE 127.A O no hydrogen 2.932 N/A THR 132.A OG1 SER 130.A OG no hydrogen 2.476 N/A LYS 133.A NZ ASP 239.A OD1 no hydrogen 3.165 N/A LYS 133.A NZ ASP 239.A OD2 no hydrogen 3.266 N/A VAL 135.A N ASP 83.A O no hydrogen 3.096 N/A ILE 136.A N ARG 178.A O no hydrogen 2.796 N/A VAL 137.A N LEU 85.A O no hydrogen 2.925 N/A ASN 138.A N ASN 180.A O no hydrogen 2.820 N/A ASN 138.A ND2 THR 165.A OG1 no hydrogen 3.035 N/A THR 139.A N ALA 87.A O no hydrogen 3.011 N/A ALA 140.A N VAL 182.A O no hydrogen 2.809 N/A LEU 142.A N PRO 184.A O no hydrogen 2.960 N/A ALA 143.A N SER 141.A OG no hydrogen 2.975 N/A ALA 144.A N SER 141.A O no hydrogen 2.955 N/A LYS 145.A N LEU 142.A O no hydrogen 2.851 N/A LYS 145.A NZ GLY 248.A O no hydrogen 2.704 N/A LYS 145.A NZ ASN 250.A OD1 no hydrogen 2.790 N/A LYS 145.A NZ ASP 258.A OD2 no hydrogen 3.150 N/A VAL 146.A N LEU 142.A O no hydrogen 3.169 N/A ALA 148.A N SER 155.A OG no hydrogen 3.060 N/A LEU 151.A N ALA 148.A O no hydrogen 3.111 N/A HIS 153.A NE2 THR 93.A OG1 no hydrogen 2.902 N/A SER 155.A N LEU 151.A O no hydrogen 2.700 N/A SER 155.A OG LEU 151.A O no hydrogen 2.908 N/A ALA 156.A N ALA 152.A O no hydrogen 3.087 N/A SER 157.A N HIS 153.A O no hydrogen 3.142 N/A SER 157.A OG TYR 154.A O no hydrogen 2.866 N/A LYS 158.A N TYR 154.A O no hydrogen 3.073 N/A LYS 158.A N SER 155.A O no hydrogen 3.218 N/A LYS 158.A NZ THR 139.A O no hydrogen 3.205 N/A LYS 158.A NZ ALA 140.A O no hydrogen 3.454 N/A PHE 159.A N SER 155.A O no hydrogen 2.871 N/A ALA 160.A N ALA 156.A O no hydrogen 3.131 N/A VAL 161.A N SER 157.A O no hydrogen 3.291 N/A PHE 162.A N LYS 158.A O no hydrogen 3.231 N/A GLY 163.A N PHE 159.A O no hydrogen 2.930 N/A TRP 164.A N ALA 160.A O no hydrogen 2.961 N/A THR 165.A N VAL 161.A O no hydrogen 2.884 N/A THR 165.A OG1 VAL 161.A O no hydrogen 2.775 N/A GLN 166.A N PHE 162.A O no hydrogen 3.133 N/A ALA 167.A N GLY 163.A O no hydrogen 3.134 N/A LEU 168.A N TRP 164.A O no hydrogen 2.921 N/A ALA 169.A N THR 165.A O no hydrogen 2.948 N/A ARG 170.A N GLN 166.A O no hydrogen 3.055 N/A GLU 171.A N ALA 167.A O no hydrogen 3.213 N/A MET 172.A N LEU 168.A O no hydrogen 2.871 N/A ALA 173.A N ALA 169.A O no hydrogen 3.035 N/A LYS 175.A N MET 172.A O no hydrogen 2.866 N/A ASN 176.A N ALA 173.A O no hydrogen 3.312 N/A ILE 177.A N MET 172.A O no hydrogen 3.398 N/A ARG 178.A N GLY 134.A O no hydrogen 2.994 N/A ARG 178.A NH1 LEU 236.A O no hydrogen 3.214 N/A ARG 178.A NH1 MET 244.A O no hydrogen 3.182 N/A ARG 178.A NH2 LEU 236.A O no hydrogen 3.063 N/A VAL 179.A N THR 245.A OG1 no hydrogen 2.989 N/A ASN 180.A N ILE 136.A O no hydrogen 3.078 N/A ASN 180.A ND2 MET 244.A O no hydrogen 3.014 N/A CYS 181.A N GLN 247.A O no hydrogen 2.797 N/A CYS 181.A SG GLN 247.A O no hydrogen 3.535 N/A VAL 182.A N ASN 138.A O no hydrogen 2.946 N/A CYS 183.A N ILE 249.A O no hydrogen 2.796 N/A CYS 183.A SG SER 141.A O no hydrogen 3.388 N/A GLY 185.A N GLU 224.A OE1 no hydrogen 2.841 N/A GLY 185.A N VAL 251.A O no hydrogen 3.076 N/A LYS 188.A N GLU 224.A O no hydrogen 2.872 N/A LYS 188.A NZ GLU 225.A OE2 no hydrogen 3.116 N/A MET 191.A N THR 189.A OG1 no hydrogen 2.990 N/A GLU 193.A N THR 189.A O no hydrogen 3.246 N/A ARG 194.A N ALA 190.A O no hydrogen 3.128 N/A GLU 195.A N MET 191.A O no hydrogen 2.928 N/A ILE 196.A N GLN 192.A O no hydrogen 2.829 N/A TRP 198.A N ARG 194.A O no hydrogen 3.072 N/A GLU 199.A N GLU 195.A O no hydrogen 2.802 N/A ALA 200.A N ILE 196.A O no hydrogen 2.971 N/A GLU 201.A N ILE 197.A O no hydrogen 3.100 N/A LEU 202.A N TRP 198.A O no hydrogen 2.964 N/A ARG 203.A N GLU 199.A O no hydrogen 2.844 N/A ARG 203.A NH1 GLU 199.A OE2 no hydrogen 3.088 N/A ARG 203.A NH1 GLU 213.A OE1 no hydrogen 3.525 N/A ARG 203.A NH1 GLU 213.A OE2 no hydrogen 2.872 N/A ARG 203.A NH2 GLU 213.A OE1 no hydrogen 3.071 N/A ARG 203.A NH2 GLU 213.A OE2 no hydrogen 3.261 N/A MET 205.A N ALA 200.A O no hydrogen 2.911 N/A ALA 209.A N THR 206.A OG1 no hydrogen 3.132 N/A VAL 210.A N THR 206.A O no hydrogen 3.134 N/A ARG 211.A N PRO 207.A O no hydrogen 3.038 N/A ARG 211.A NE GLU 208.A OE1 no hydrogen 2.806 N/A ARG 211.A NH1 GLU 193.A OE2 no hydrogen 3.003 N/A ARG 211.A NH2 GLU 193.A OE1 no hydrogen 3.044 N/A ARG 211.A NH2 GLU 208.A OE2 no hydrogen 2.767 N/A ALA 212.A N GLU 208.A O no hydrogen 2.900 N/A GLU 213.A N ALA 209.A O no hydrogen 3.054 N/A TYR 214.A N VAL 210.A O no hydrogen 3.196 N/A TYR 214.A OH GLU 199.A OE1 no hydrogen 2.495 N/A VAL 215.A N ARG 211.A O no hydrogen 3.146 N/A SER 216.A N ALA 212.A O no hydrogen 2.969 N/A SER 216.A OG GLU 213.A O no hydrogen 3.054 N/A LEU 217.A N GLU 213.A O no hydrogen 2.954 N/A THR 218.A N VAL 215.A O no hydrogen 2.988 N/A THR 218.A OG1 TYR 214.A O no hydrogen 2.783 N/A LEU 220.A N GLY 253.A O no hydrogen 3.070 N/A GLY 221.A N THR 218.A O no hydrogen 2.810 N/A ARG 222.A NH1 ILE 223.A O no hydrogen 3.260 N/A ARG 222.A NH1 ASP 228.A OD2 no hydrogen 2.840 N/A ARG 222.A NH2 ASP 228.A OD1 no hydrogen 2.938 N/A ARG 222.A NH2 ASP 228.A OD2 no hydrogen 3.484 N/A GLU 224.A N PHE 186.A O no hydrogen 3.151 N/A GLU 225.A N ASP 228.A OD2 no hydrogen 2.781 N/A ASP 228.A N GLU 225.A O no hydrogen 3.078 N/A VAL 229.A N PRO 226.A O no hydrogen 3.167 N/A ALA 230.A N PRO 226.A O no hydrogen 3.088 N/A ASP 231.A N GLU 227.A O no hydrogen 3.250 N/A VAL 233.A N VAL 229.A O no hydrogen 3.133 N/A VAL 234.A N ALA 230.A O no hydrogen 3.067 N/A PHE 235.A N ASP 231.A O no hydrogen 3.268 N/A LEU 236.A N VAL 232.A O no hydrogen 2.984 N/A ALA 237.A N VAL 233.A O no hydrogen 2.919 N/A SER 238.A N VAL 234.A O no hydrogen 3.072 N/A SER 238.A N PHE 235.A O no hydrogen 2.955 N/A SER 238.A OG PHE 235.A O no hydrogen 2.683 N/A ALA 240.A N SER 238.A OG no hydrogen 3.249 N/A ALA 241.A N SER 238.A O no hydrogen 3.113 N/A ARG 242.A N ASP 239.A O no hydrogen 3.187 N/A ARG 242.A NH1 ASP 239.A O no hydrogen 2.900 N/A MET 244.A N ALA 241.A O no hydrogen 3.020 N/A THR 245.A OG1 VAL 179.A O no hydrogen 3.472 N/A GLY 246.A N VAL 179.A O no hydrogen 2.729 N/A GLN 247.A N ASN 180.A OD1 no hydrogen 2.958 N/A GLN 247.A NE2 THR 245.A O no hydrogen 3.018 N/A ILE 249.A N CYS 181.A O no hydrogen 2.906 N/A ASN 250.A ND2 ASP 258.A OD2 no hydrogen 2.865 N/A VAL 251.A N CYS 183.A O no hydrogen 2.917 N/A ARG 256.A N THR 252.A OG1 no hydrogen 3.156 N/A ARG 256.A NE ASP 258.A OD1 no hydrogen 3.266 N/A ARG 256.A NE ASP 258.A OD2 no hydrogen 2.878 N/A ARG 256.A NH2 ASP 258.A OD1 no hydrogen 3.059 N/A