Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jyi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N GLU 33.A OE1 no hydrogen 2.866 N/A GLU 3.A N HIS 1.A ND1 no hydrogen 3.024 N/A THR 4.A N HIS 1.A O no hydrogen 2.863 N/A LEU 5.A N HIS 1.A O no hydrogen 3.187 N/A VAL 6.A N PRO 2.A O no hydrogen 3.043 N/A LYS 7.A N GLU 3.A O no hydrogen 3.154 N/A LYS 7.A NZ ASP 10.A OD2 no hydrogen 3.098 N/A LYS 7.A NZ GLN 251.A OE1 no hydrogen 2.864 N/A LYS 7.A NZ GLU 254.A OE1 no hydrogen 2.983 N/A VAL 8.A N THR 4.A O no hydrogen 2.897 N/A LYS 9.A N LEU 5.A O no hydrogen 3.018 N/A ASP 10.A N VAL 6.A O no hydrogen 2.978 N/A ALA 11.A N LYS 7.A O no hydrogen 2.903 N/A GLU 12.A N VAL 8.A O no hydrogen 3.157 N/A ASP 13.A N LYS 9.A O no hydrogen 3.333 N/A GLN 14.A N ASP 10.A O no hydrogen 3.024 N/A GLN 14.A NE2 ASP 10.A OD1 no hydrogen 2.899 N/A LEU 15.A N ALA 11.A O no hydrogen 3.139 N/A LEU 15.A N GLU 12.A O no hydrogen 3.267 N/A GLY 16.A N GLU 12.A O no hydrogen 2.738 N/A ALA 17.A N GLU 12.A O no hydrogen 3.414 N/A ARG 18.A NH1 GLU 39.A OE1 no hydrogen 2.923 N/A ARG 18.A NH1 ARG 40.A O no hydrogen 3.348 N/A ARG 18.A NH2 ARG 40.A O no hydrogen 3.216 N/A VAL 19.A N GLU 12.A OE2 no hydrogen 3.089 N/A GLY 20.A N TYR 237.A O no hydrogen 2.722 N/A TYR 21.A N PHE 35.A O no hydrogen 2.935 N/A TYR 21.A OH GLU 23.A OE1 no hydrogen 2.647 N/A ILE 22.A N VAL 235.A O no hydrogen 3.090 N/A GLU 23.A N GLU 33.A O no hydrogen 2.945 N/A LEU 24.A N ILE 233.A O no hydrogen 2.718 N/A ASP 25.A N LYS 30.A O no hydrogen 2.971 N/A LEU 26.A N SER 231.A O no hydrogen 2.983 N/A ASN 27.A N ASP 25.A OD2 no hydrogen 3.109 N/A SER 28.A N ASP 25.A OD2 no hydrogen 2.970 N/A SER 28.A OG ASP 25.A OD2 no hydrogen 3.036 N/A GLY 29.A N ASP 25.A O no hydrogen 2.645 N/A LYS 30.A N SER 28.A OG no hydrogen 3.300 N/A LEU 32.A N GLU 23.A O no hydrogen 2.842 N/A PHE 35.A N TYR 21.A O no hydrogen 2.842 N/A ARG 36.A NE GLU 12.A OE2 no hydrogen 2.554 N/A ARG 36.A NH1 GLU 39.A OE1 no hydrogen 3.474 N/A ARG 36.A NH1 GLU 39.A OE2 no hydrogen 2.816 N/A ARG 36.A NH2 GLU 12.A OE1 no hydrogen 3.216 N/A ARG 36.A NH2 GLU 12.A OE2 no hydrogen 3.038 N/A GLU 39.A N ARG 36.A O no hydrogen 3.480 N/A ARG 40.A NH1 VAL 134.A O no hydrogen 3.052 N/A ARG 40.A NH1 THR 155.A OG1 no hydrogen 3.019 N/A ARG 40.A NH2 VAL 134.A O no hydrogen 3.546 N/A PHE 41.A N THR 156.A O no hydrogen 2.958 N/A MET 43.A N ASP 154.A O no hydrogen 3.015 N/A SER 45.A OG SER 105.A OG no hydrogen 2.932 N/A THR 46.A N MET 43.A O no hydrogen 3.230 N/A PHE 47.A N MET 44.A O no hydrogen 3.174 N/A LYS 48.A N SER 45.A O no hydrogen 3.087 N/A LYS 48.A NZ SER 45.A OG no hydrogen 3.144 N/A LYS 48.A NZ SER 105.A O no hydrogen 3.109 N/A LYS 48.A NZ GLU 141.A OE2 no hydrogen 3.248 N/A LEU 51.A N PHE 47.A O no hydrogen 2.809 N/A CYS 52.A N LYS 48.A O no hydrogen 3.147 N/A CYS 52.A SG LYS 48.A O no hydrogen 3.824 N/A GLY 53.A N VAL 49.A O no hydrogen 3.042 N/A ALA 54.A N LEU 50.A O no hydrogen 3.049 N/A VAL 55.A N LEU 51.A O no hydrogen 2.948 N/A LEU 56.A N CYS 52.A O no hydrogen 2.979 N/A SER 57.A N GLY 53.A O no hydrogen 3.012 N/A ARG 58.A N ALA 54.A O no hydrogen 3.221 N/A ARG 58.A N VAL 55.A O no hydrogen 3.133 N/A VAL 59.A N VAL 55.A O no hydrogen 3.063 N/A ASP 60.A N LEU 56.A O no hydrogen 2.967 N/A ALA 61.A N ARG 58.A O no hydrogen 2.740 N/A GLY 62.A N VAL 59.A O no hydrogen 3.241 N/A GLN 63.A N ARG 58.A O no hydrogen 2.985 N/A GLN 65.A N GLU 64.A OE1 no hydrogen 2.950 N/A ARG 68.A N GLN 65.A O no hydrogen 2.960 N/A ARG 68.A NE GLU 64.A OE1 no hydrogen 2.767 N/A ARG 68.A NH2 GLU 64.A OE1 no hydrogen 3.474 N/A ARG 68.A NH2 GLU 64.A OE2 no hydrogen 2.950 N/A ARG 69.A NH1 ASP 90.A O no hydrogen 2.935 N/A ILE 70.A N MET 92.A O no hydrogen 2.757 N/A TYR 72.A OH THR 84.A O no hydrogen 2.664 N/A SER 73.A N ASP 76.A OD2 no hydrogen 2.941 N/A ASN 75.A N SER 73.A OG no hydrogen 3.354 N/A ASP 76.A N SER 73.A O no hydrogen 2.764 N/A VAL 78.A N THR 108.A OG1 no hydrogen 2.981 N/A TYR 80.A OH MET 104.A O no hydrogen 2.761 N/A SER 81.A OG VAL 78.A O no hydrogen 2.999 N/A SER 81.A OG THR 108.A OG1 no hydrogen 2.645 N/A VAL 83.A N ASP 106.A OD1 no hydrogen 2.882 N/A THR 84.A N ASP 106.A OD1 no hydrogen 2.916 N/A THR 84.A OG1 ASP 106.A OD1 no hydrogen 3.186 N/A THR 84.A OG1 ASP 106.A OD2 no hydrogen 2.888 N/A GLU 85.A N SER 81.A O no hydrogen 3.027 N/A LYS 86.A N VAL 83.A O no hydrogen 3.115 N/A HIS 87.A N THR 84.A O no hydrogen 3.163 N/A HIS 87.A ND1 VAL 83.A O no hydrogen 3.215 N/A GLY 91.A N HIS 87.A O no hydrogen 2.992 N/A MET 92.A N ILE 70.A O no hydrogen 2.970 N/A THR 93.A N GLU 96.A OE1 no hydrogen 2.975 N/A VAL 94.A N ARG 68.A O no hydrogen 2.969 N/A ARG 95.A N LEU 66.A O no hydrogen 2.970 N/A GLU 96.A N THR 93.A OG1 no hydrogen 3.108 N/A LEU 97.A N THR 93.A O no hydrogen 2.941 N/A LEU 97.A N VAL 94.A O no hydrogen 3.197 N/A CYS 98.A N VAL 94.A O no hydrogen 2.981 N/A SER 99.A N ARG 95.A O no hydrogen 3.004 N/A ALA 100.A N GLU 96.A O no hydrogen 2.975 N/A ALA 101.A N LEU 97.A O no hydrogen 2.807 N/A ILE 102.A N CYS 98.A O no hydrogen 3.090 N/A THR 103.A N SER 99.A O no hydrogen 2.830 N/A THR 103.A OG1 TRP 185.A O no hydrogen 3.432 N/A THR 103.A OG1 ALA 188.A O no hydrogen 3.367 N/A MET 104.A N ALA 100.A O no hydrogen 3.120 N/A SER 105.A OG SER 45.A OG no hydrogen 2.932 N/A ASP 106.A N ALA 100.A O no hydrogen 3.033 N/A ASN 107.A N TYR 80.A O no hydrogen 3.111 N/A ASN 107.A ND2 GLU 79.A O no hydrogen 2.743 N/A ASN 107.A ND2 TYR 80.A O no hydrogen 3.428 N/A THR 108.A OG1 SER 81.A OG no hydrogen 2.645 N/A ALA 109.A N ASP 106.A OD2 no hydrogen 2.991 N/A ALA 110.A N ASP 106.A O no hydrogen 3.343 N/A ASN 111.A N ASN 107.A O no hydrogen 3.059 N/A ASN 111.A ND2 GLU 141.A O no hydrogen 3.174 N/A LEU 112.A N THR 108.A O no hydrogen 2.869 N/A LEU 113.A N ALA 109.A O no hydrogen 3.162 N/A LEU 114.A N ALA 110.A O no hydrogen 2.888 N/A THR 115.A N ASN 111.A O no hydrogen 2.948 N/A THR 115.A OG1 ASN 111.A O no hydrogen 3.396 N/A THR 116.A N LEU 112.A O no hydrogen 3.164 N/A ILE 117.A N LEU 114.A O no hydrogen 3.019 N/A GLY 118.A N THR 115.A O no hydrogen 3.184 N/A GLY 119.A N LEU 114.A O no hydrogen 2.708 N/A GLU 122.A N GLY 119.A O no hydrogen 2.900 N/A LEU 123.A N GLY 119.A O no hydrogen 3.364 N/A THR 124.A N PRO 120.A O no hydrogen 3.057 N/A THR 124.A OG1 PRO 120.A O no hydrogen 3.138 N/A THR 124.A OG1 LEU 137.A O no hydrogen 2.909 N/A ALA 125.A N LYS 121.A O no hydrogen 3.046 N/A PHE 126.A N GLU 122.A O no hydrogen 2.855 N/A LEU 127.A N LEU 123.A O no hydrogen 3.050 N/A HIS 128.A N THR 124.A O no hydrogen 3.162 N/A ASN 129.A N ALA 125.A O no hydrogen 3.044 N/A MET 130.A N LEU 127.A O no hydrogen 3.199 N/A GLY 131.A N HIS 128.A O no hydrogen 3.020 N/A ASP 132.A N LEU 127.A O no hydrogen 3.059 N/A VAL 134.A N ASP 132.A OD1 no hydrogen 2.851 N/A THR 135.A N ASP 132.A OD1 no hydrogen 2.932 N/A THR 135.A OG1 ASP 132.A OD1 no hydrogen 3.380 N/A THR 135.A OG1 ASP 132.A OD2 no hydrogen 2.511 N/A THR 135.A OG1 THR 156.A OG1 no hydrogen 2.795 N/A ARG 136.A N THR 155.A O no hydrogen 3.215 N/A ARG 136.A NE ASP 138.A OD2 no hydrogen 2.836 N/A ARG 136.A NH2 ASP 138.A OD1 no hydrogen 2.876 N/A ARG 136.A NH2 ASP 138.A OD2 no hydrogen 3.035 N/A LEU 137.A N THR 124.A OG1 no hydrogen 2.910 N/A ASP 138.A N ASP 154.A OD1 no hydrogen 2.752 N/A ARG 139.A N ASP 154.A OD1 no hydrogen 3.120 N/A ARG 139.A NE ASP 154.A OD2 no hydrogen 2.953 N/A ARG 139.A NH1 GLU 146.A OE2 no hydrogen 2.979 N/A ARG 139.A NH2 ASP 154.A OD2 no hydrogen 3.144 N/A GLU 141.A N ASN 111.A OD1 no hydrogen 3.070 N/A LEU 144.A N TRP 140.A O no hydrogen 3.057 N/A GLY 145.A N PRO 142.A O no hydrogen 3.466 N/A ASP 151.A N ILE 148.A O no hydrogen 2.985 N/A ARG 153.A N ASP 151.A OD1 no hydrogen 3.001 N/A ARG 153.A NE ASP 151.A OD1 no hydrogen 3.302 N/A ARG 153.A NE ASP 151.A OD2 no hydrogen 3.048 N/A ARG 153.A NH2 ASP 151.A OD2 no hydrogen 2.955 N/A ASP 154.A N ASP 138.A OD2 no hydrogen 3.042 N/A THR 155.A OG1 GLU 152.A O no hydrogen 2.832 N/A THR 156.A N PHE 41.A O no hydrogen 3.013 N/A THR 156.A OG1 THR 135.A OG1 no hydrogen 2.795 N/A THR 156.A OG1 MET 157.A O no hydrogen 3.284 N/A ALA 159.A N PRO 37.A O no hydrogen 2.939 N/A MET 161.A N MET 157.A O no hydrogen 3.019 N/A ALA 162.A N PRO 158.A O no hydrogen 3.204 N/A THR 163.A N ALA 159.A O no hydrogen 3.112 N/A THR 163.A OG1 ALA 159.A O no hydrogen 3.078 N/A THR 164.A N ALA 160.A O no hydrogen 2.737 N/A THR 164.A OG1 ASP 132.A OD2 no hydrogen 2.862 N/A THR 164.A OG1 ALA 160.A O no hydrogen 3.193 N/A LEU 165.A N MET 161.A O no hydrogen 2.732 N/A ARG 166.A N ALA 162.A O no hydrogen 2.971 N/A ARG 166.A NE LEU 26.A O no hydrogen 3.020 N/A ARG 166.A NH2 ASN 27.A O no hydrogen 2.770 N/A LYS 167.A N THR 163.A O no hydrogen 3.172 N/A LYS 167.A NZ MET 130.A O no hydrogen 3.045 N/A LEU 168.A N THR 164.A O no hydrogen 3.074 N/A LEU 169.A N LEU 165.A O no hydrogen 2.927 N/A GLY 171.A N LYS 167.A O no hydrogen 2.895 N/A THR 175.A N ASP 60.A OD2 no hydrogen 3.117 N/A THR 175.A OG1 ASP 60.A OD1 no hydrogen 3.052 N/A THR 175.A OG1 ASP 60.A OD2 no hydrogen 3.510 N/A SER 178.A N THR 175.A OG1 no hydrogen 3.389 N/A SER 178.A OG ASP 60.A OD1 no hydrogen 2.827 N/A SER 178.A OG ASP 60.A OD2 no hydrogen 3.450 N/A ARG 179.A N THR 175.A O no hydrogen 2.823 N/A ARG 179.A NH1 GLU 172.A OE1 no hydrogen 3.112 N/A GLN 180.A N LEU 176.A O no hydrogen 2.904 N/A GLN 181.A N ALA 177.A O no hydrogen 3.080 N/A LEU 182.A N SER 178.A O no hydrogen 2.942 N/A ILE 183.A N ARG 179.A O no hydrogen 3.127 N/A ASP 184.A N GLN 180.A O no hydrogen 2.824 N/A TRP 185.A N GLN 181.A O no hydrogen 3.028 N/A TRP 185.A N LEU 182.A O no hydrogen 3.139 N/A MET 186.A N LEU 182.A O no hydrogen 3.173 N/A GLU 187.A N ILE 183.A O no hydrogen 2.871 N/A ALA 188.A N ASP 184.A O no hydrogen 3.247 N/A ALA 188.A N TRP 185.A O no hydrogen 3.154 N/A ASP 189.A N MET 186.A O no hydrogen 2.899 N/A LYS 190.A N THR 103.A O no hydrogen 3.031 N/A LYS 190.A NZ ALA 188.A O no hydrogen 3.020 N/A VAL 191.A N ASP 189.A OD2 no hydrogen 3.040 N/A LEU 195.A N ALA 192.A O no hydrogen 3.125 N/A ARG 197.A NE ASP 208.A OD1 no hydrogen 3.127 N/A ARG 197.A NE ASP 208.A OD2 no hydrogen 3.175 N/A ARG 197.A NH2 GLU 187.A O no hydrogen 3.157 N/A ARG 197.A NH2 ASP 208.A OD1 no hydrogen 3.038 N/A SER 198.A N LEU 195.A O no hydrogen 3.184 N/A SER 198.A OG PRO 194.A O no hydrogen 3.531 N/A SER 198.A OG LEU 195.A O no hydrogen 2.945 N/A ALA 199.A N LEU 196.A O no hydrogen 3.157 N/A LEU 200.A N ARG 197.A O no hydrogen 3.135 N/A PHE 205.A N GLY 225.A O no hydrogen 2.684 N/A ALA 207.A N ALA 223.A O no hydrogen 2.782 N/A ASP 208.A N MET 186.A O no hydrogen 3.388 N/A LYS 209.A N ILE 221.A O no hydrogen 3.009 N/A LYS 209.A NZ SER 105.A OG no hydrogen 2.800 N/A LYS 209.A NZ SER 210.A O no hydrogen 2.992 N/A GLY 211.A N GLY 219.A O no hydrogen 2.838 N/A GLY 213.A N SER 217.A O no hydrogen 3.050 N/A GLU 214.A N GLY 145.A O no hydrogen 2.918 N/A SER 217.A N GLU 214.A O no hydrogen 3.229 N/A SER 217.A OG GLU 214.A O no hydrogen 2.767 N/A SER 217.A OG THR 239.A OG1 no hydrogen 2.698 N/A ARG 218.A N THR 238.A O no hydrogen 2.883 N/A ARG 218.A NE ASN 249.A OD1 no hydrogen 3.206 N/A ARG 218.A NH1 GLY 211.A O no hydrogen 3.097 N/A ARG 218.A NH2 ASN 249.A OD1 no hydrogen 3.198 N/A GLY 219.A N GLY 211.A O no hydrogen 2.944 N/A ILE 220.A N ILE 236.A O no hydrogen 2.830 N/A ILE 221.A N LYS 209.A O no hydrogen 2.993 N/A ALA 222.A N VAL 234.A O no hydrogen 3.008 N/A ALA 223.A N ALA 207.A O no hydrogen 2.816 N/A LEU 224.A N ARG 232.A O no hydrogen 3.076 N/A GLY 225.A N PHE 205.A O no hydrogen 2.956 N/A GLY 228.A N GLY 203.A O no hydrogen 2.603 N/A LYS 229.A N PRO 226.A O no hydrogen 3.425 N/A SER 231.A N LEU 224.A O no hydrogen 2.936 N/A ARG 232.A N LEU 224.A O no hydrogen 3.152 N/A ARG 232.A NH2 TRP 263.A O no hydrogen 3.063 N/A ILE 233.A N LEU 24.A O no hydrogen 2.863 N/A VAL 234.A N ALA 222.A O no hydrogen 2.956 N/A VAL 235.A N ILE 22.A O no hydrogen 3.091 N/A ILE 236.A N ILE 220.A O no hydrogen 2.942 N/A TYR 237.A N GLY 20.A O no hydrogen 3.061 N/A THR 238.A N ARG 218.A O no hydrogen 2.819 N/A THR 238.A OG1 ARG 18.A O no hydrogen 2.830 N/A THR 239.A OG1 SER 217.A OG no hydrogen 2.698 N/A GLY 240.A N ARG 215.A O no hydrogen 2.892 N/A SER 241.A OG LEU 15.A O no hydrogen 2.858 N/A ALA 243.A N SER 241.A OG no hydrogen 2.905 N/A THR 244.A N GLU 247.A OE1 no hydrogen 3.006 N/A THR 244.A OG1 GLU 247.A OE1 no hydrogen 3.041 N/A ARG 248.A N THR 244.A O no hydrogen 2.993 N/A ARG 248.A NE ALA 243.A O no hydrogen 3.149 N/A ARG 248.A NE THR 244.A O no hydrogen 3.267 N/A ASN 249.A N MET 245.A O no hydrogen 2.874 N/A ARG 250.A N ASP 246.A O no hydrogen 2.962 N/A GLN 251.A N GLU 247.A O no hydrogen 3.284 N/A ILE 252.A N ARG 248.A O no hydrogen 3.271 N/A ALA 253.A N ASN 249.A O no hydrogen 2.902 N/A GLU 254.A N ARG 250.A O no hydrogen 2.946 N/A ILE 255.A N GLN 251.A O no hydrogen 3.262 N/A GLY 256.A N ILE 252.A O no hydrogen 3.088 N/A ALA 257.A N ALA 253.A O no hydrogen 2.838 N/A SER 258.A N GLU 254.A O no hydrogen 3.143 N/A LEU 259.A N ILE 255.A O no hydrogen 2.990 N/A ILE 260.A N GLY 256.A O no hydrogen 2.886 N/A LYS 261.A N ALA 257.A O no hydrogen 2.920 N/A HIS 262.A N SER 258.A O no hydrogen 2.899 N/A TRP 263.A N ILE 260.A O no hydrogen 3.061 N/A