Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bgq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N VAL 1.A O no hydrogen 2.912 N/A GLU 6.A N ARG 23.A O no hydrogen 2.801 N/A LEU 8.A N LYS 21.A O no hydrogen 2.703 N/A GLY 9.A N LYS 21.A O no hydrogen 3.253 N/A VAL 11.A N VAL 19.A O no hydrogen 2.757 N/A GLY 12.A N VAL 19.A O no hydrogen 3.239 N/A GLY 14.A N GLY 17.A O no hydrogen 2.723 N/A GLY 17.A N GLY 14.A O no hydrogen 3.147 N/A VAL 18.A N LYS 35.A O no hydrogen 3.371 N/A VAL 19.A N GLY 12.A O no hydrogen 2.818 N/A LEU 20.A N ILE 33.A O no hydrogen 2.792 N/A LYS 21.A N GLY 9.A O no hydrogen 2.803 N/A CYS 22.A N VAL 31.A O no hydrogen 2.933 N/A ARG 23.A N GLU 6.A O no hydrogen 2.856 N/A ARG 23.A NH2 GLU 6.A OE1 no hydrogen 2.774 N/A HIS 24.A N GLU 29.A O no hydrogen 2.926 N/A LYS 25.A N LYS 4.A O no hydrogen 2.785 N/A GLU 26.A N HIS 24.A ND1 no hydrogen 3.254 N/A THR 27.A N HIS 24.A ND1 no hydrogen 3.277 N/A HIS 28.A N HIS 24.A O no hydrogen 2.792 N/A GLU 29.A N THR 27.A OG1 no hydrogen 3.342 N/A VAL 31.A N CYS 22.A O no hydrogen 2.867 N/A ALA 32.A N PHE 74.A O no hydrogen 2.885 N/A ILE 33.A N LEU 20.A O no hydrogen 2.739 N/A LYS 34.A N LEU 72.A O no hydrogen 2.791 N/A LYS 35.A N VAL 18.A O no hydrogen 2.896 N/A THR 41.A OG1 GLY 140.A O no hydrogen 3.185 N/A LEU 43.A N LYS 39.A O no hydrogen 3.346 N/A ARG 44.A N GLU 40.A O no hydrogen 2.918 N/A ARG 44.A NH2 ALA 142.A O no hydrogen 2.909 N/A GLU 45.A N THR 41.A O no hydrogen 2.988 N/A LEU 46.A N THR 42.A O no hydrogen 3.067 N/A LYS 47.A N LEU 43.A O no hydrogen 3.310 N/A MET 48.A N ARG 44.A O no hydrogen 3.156 N/A LEU 49.A N GLU 45.A O no hydrogen 2.867 N/A ARG 50.A N LEU 46.A O no hydrogen 3.155 N/A THR 51.A N LYS 47.A O no hydrogen 3.131 N/A THR 51.A OG1 LYS 47.A O no hydrogen 3.398 N/A LEU 52.A N MET 48.A O no hydrogen 2.853 N/A LYS 53.A N ARG 50.A O no hydrogen 3.486 N/A GLN 54.A NE2 ASN 56.A OD1 no hydrogen 2.993 N/A ILE 57.A N GLN 54.A O no hydrogen 3.082 N/A VAL 58.A N LEU 136.A O no hydrogen 2.919 N/A GLU 59.A N GLU 75.A OE1 no hydrogen 3.046 N/A LYS 61.A N VAL 73.A O no hydrogen 2.681 N/A LYS 61.A NZ GLU 29.A OE2 no hydrogen 2.957 N/A GLU 62.A N VAL 73.A O no hydrogen 3.295 N/A PHE 64.A N TYR 71.A O no hydrogen 2.891 N/A ARG 66.A N LYS 69.A O no hydrogen 3.131 N/A LYS 69.A N ARG 66.A O no hydrogen 3.121 N/A TYR 71.A N PHE 64.A O no hydrogen 2.825 N/A LEU 72.A N LYS 34.A O no hydrogen 2.968 N/A VAL 73.A N GLU 62.A O no hydrogen 2.829 N/A PHE 74.A N ALA 32.A O no hydrogen 2.808 N/A GLU 75.A N GLU 59.A O no hydrogen 2.861 N/A LYS 79.A NZ GLU 78.A OE2 no hydrogen 2.776 N/A LYS 79.A NZ ILE 128.A O no hydrogen 3.028 N/A ASN 80.A ND2 GLU 124.A O no hydrogen 2.942 N/A MET 81.A N LEU 126.A O no hydrogen 2.873 N/A GLU 83.A N ASN 80.A OD1 no hydrogen 2.948 N/A LEU 84.A N ASN 80.A O no hydrogen 3.124 N/A LEU 85.A N MET 81.A O no hydrogen 2.925 N/A GLU 86.A N LEU 82.A O no hydrogen 3.121 N/A GLU 87.A N GLU 83.A O no hydrogen 3.019 N/A MET 88.A N LEU 84.A O no hydrogen 2.927 N/A GLY 91.A N MET 88.A O no hydrogen 3.035 N/A VAL 92.A N LEU 178.A O no hydrogen 2.842 N/A LYS 96.A NZ ASP 132.A OD2 no hydrogen 2.689 N/A VAL 97.A N PRO 93.A O no hydrogen 3.045 N/A LYS 98.A N PRO 94.A O no hydrogen 3.022 N/A SER 99.A N GLU 95.A O no hydrogen 3.063 N/A TYR 100.A N LYS 96.A O no hydrogen 2.909 N/A TYR 100.A OH ASP 132.A OD1 no hydrogen 2.592 N/A ILE 101.A N VAL 97.A O no hydrogen 3.006 N/A TYR 102.A N LYS 98.A O no hydrogen 2.815 N/A GLN 103.A N SER 99.A O no hydrogen 3.013 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.573 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 3.118 N/A GLN 103.A NE2 ASP 132.A O no hydrogen 2.888 N/A LEU 104.A N TYR 100.A O no hydrogen 2.847 N/A ILE 105.A N ILE 101.A O no hydrogen 2.898 N/A LYS 106.A N TYR 102.A O no hydrogen 2.964 N/A LYS 106.A NZ TYR 102.A OH no hydrogen 2.963 N/A ALA 107.A N GLN 103.A O no hydrogen 2.955 N/A ILE 108.A N LEU 104.A O no hydrogen 2.891 N/A HIS 109.A N ILE 105.A O no hydrogen 2.843 N/A HIS 109.A ND1 THR 262.A OG1 no hydrogen 2.766 N/A TRP 110.A N LYS 106.A O no hydrogen 3.139 N/A TRP 110.A NE1 LEU 52.A O no hydrogen 2.786 N/A CYS 111.A N ALA 107.A O no hydrogen 3.136 N/A CYS 111.A SG ALA 107.A O no hydrogen 3.517 N/A HIS 112.A N ILE 108.A O no hydrogen 2.881 N/A HIS 112.A NE2 ASP 167.A OD2 no hydrogen 2.885 N/A LYS 113.A N HIS 109.A O no hydrogen 2.971 N/A ASN 114.A N TRP 110.A O no hydrogen 3.234 N/A ASN 114.A ND2 TRP 110.A O no hydrogen 2.838 N/A ASP 115.A N HIS 112.A O no hydrogen 2.927 N/A ILE 116.A N CYS 111.A O no hydrogen 3.003 N/A VAL 117.A N ARG 143.A O no hydrogen 2.955 N/A HIS 118.A N ASP 167.A OD2 no hydrogen 2.956 N/A HIS 118.A NE2 CYS 137.A O no hydrogen 2.969 N/A ARG 119.A N ASP 167.A OD1 no hydrogen 2.863 N/A ARG 119.A NH1 PHE 141.A O no hydrogen 2.648 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 3.120 N/A LYS 122.A N ASN 125.A OD1 no hydrogen 3.177 N/A ASN 125.A N LYS 122.A O no hydrogen 3.020 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 2.894 N/A ASN 125.A ND2 ASP 138.A OD2 no hydrogen 3.401 N/A LEU 126.A N PRO 123.A O no hydrogen 3.220 N/A LEU 127.A N LYS 135.A O no hydrogen 2.909 N/A ILE 128.A N LYS 79.A O no hydrogen 2.891 N/A SER 129.A N VAL 133.A O no hydrogen 2.876 N/A ASP 132.A N SER 129.A O no hydrogen 2.939 N/A VAL 133.A N SER 129.A OG no hydrogen 3.086 N/A LEU 134.A N GLN 103.A OE1 no hydrogen 2.832 N/A LYS 135.A N LEU 127.A O no hydrogen 2.778 N/A LYS 135.A NZ GLU 55.A O no hydrogen 2.712 N/A LYS 135.A NZ GLU 75.A OE2 no hydrogen 2.913 N/A LEU 136.A N ASN 56.A O no hydrogen 2.943 N/A CYS 137.A N ASN 125.A O no hydrogen 3.311 N/A CYS 137.A SG ASN 125.A O no hydrogen 3.492 N/A PHE 139.A N GLU 45.A OE2 no hydrogen 2.940 N/A ALA 142.A N PHE 139.A O no hydrogen 3.204 N/A ARG 143.A N VAL 117.A O no hydrogen 2.958 N/A ARG 143.A NH1 ALA 142.A O no hydrogen 3.061 N/A LEU 145.A N ASP 115.A O no hydrogen 2.819 N/A SER 146.A N ASN 144.A OD1 no hydrogen 3.038 N/A SER 146.A OG ASN 144.A OD1 no hydrogen 2.729 N/A GLU 147.A N ASN 144.A O no hydrogen 3.263 N/A TRP 150.A NE1 GLY 187.A O no hydrogen 2.872 N/A TYR 151.A OH GLU 177.A OE1 no hydrogen 2.619 N/A TYR 151.A OH GLU 177.A OE2 no hydrogen 3.282 N/A ARG 152.A N ARG 149.A O no hydrogen 3.296 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.815 N/A LEU 157.A N SER 153.A O no hydrogen 2.999 N/A LEU 158.A N PRO 154.A O no hydrogen 2.952 N/A GLY 159.A N LEU 156.A O no hydrogen 3.175 N/A ALA 160.A N GLU 155.A O no hydrogen 2.843 N/A LYS 164.A NZ HIS 112.A O no hydrogen 3.297 N/A VAL 166.A N GLY 163.A O no hydrogen 3.095 N/A ASP 167.A N LYS 164.A O no hydrogen 3.267 N/A MET 168.A N SER 165.A O no hydrogen 3.139 N/A TRP 169.A N SER 165.A O no hydrogen 3.400 N/A SER 170.A OG TYR 151.A O no hydrogen 2.931 N/A VAL 171.A N ASP 167.A O no hydrogen 3.255 N/A GLY 172.A N MET 168.A O no hydrogen 3.187 N/A CYS 173.A N TRP 169.A O no hydrogen 3.147 N/A CYS 173.A SG TRP 169.A O no hydrogen 3.563 N/A ILE 174.A N SER 170.A O no hydrogen 3.013 N/A LEU 175.A N VAL 171.A O no hydrogen 2.898 N/A GLY 176.A N GLY 172.A O no hydrogen 3.288 N/A GLU 177.A N CYS 173.A O no hydrogen 3.112 N/A LEU 178.A N ILE 174.A O no hydrogen 2.841 N/A SER 179.A N LEU 175.A O no hydrogen 3.303 N/A SER 179.A N GLY 176.A O no hydrogen 2.938 N/A SER 179.A OG LEU 175.A O no hydrogen 2.912 N/A ASP 180.A N GLY 176.A O no hydrogen 3.307 N/A GLY 181.A N GLU 177.A O no hydrogen 2.776 N/A GLN 182.A N ASP 180.A OD1 no hydrogen 2.897 N/A GLN 182.A NE2 ASP 180.A O no hydrogen 2.953 N/A GLY 187.A N PHE 185.A O no hydrogen 3.006 N/A GLY 187.A N GLN 193.A OE1 no hydrogen 2.890 N/A GLU 188.A N ASP 192.A OD2 no hydrogen 2.841 N/A ASP 192.A N SER 189.A OG no hydrogen 3.075 N/A GLN 193.A N SER 189.A O no hydrogen 2.831 N/A GLN 193.A NE2 PHE 185.A O no hydrogen 2.897 N/A LEU 194.A N GLU 190.A O no hydrogen 3.267 N/A PHE 195.A N ILE 191.A O no hydrogen 3.037 N/A THR 196.A N ASP 192.A O no hydrogen 2.856 N/A THR 196.A OG1 ASP 192.A O no hydrogen 2.719 N/A ILE 197.A N GLN 193.A O no hydrogen 3.047 N/A GLN 198.A N LEU 194.A O no hydrogen 3.212 N/A GLN 198.A NE2 LEU 194.A O no hydrogen 3.178 N/A GLN 198.A NE2 PRO 224.A O no hydrogen 3.065 N/A LYS 199.A N PHE 195.A O no hydrogen 2.919 N/A VAL 200.A N ILE 197.A O no hydrogen 3.154 N/A LEU 201.A N ILE 197.A O no hydrogen 2.931 N/A GLY 202.A N GLN 198.A O no hydrogen 2.758 N/A LEU 204.A N GLN 198.A OE1 no hydrogen 3.131 N/A GLN 208.A NE2 LEU 254.A O no hydrogen 2.809 N/A MET 209.A N PRO 205.A O no hydrogen 3.088 N/A LYS 210.A N SER 206.A O no hydrogen 2.998 N/A LEU 211.A N GLU 207.A O no hydrogen 3.139 N/A PHE 212.A N GLN 208.A O no hydrogen 3.083 N/A TYR 213.A N LYS 210.A O no hydrogen 3.046 N/A SER 214.A N LYS 210.A O no hydrogen 2.930 N/A SER 214.A OG LYS 210.A O no hydrogen 3.420 N/A ASN 215.A N LEU 211.A O no hydrogen 2.895 N/A ASN 215.A ND2 LEU 158.A O no hydrogen 2.800 N/A ARG 217.A N ASN 215.A OD1 no hydrogen 3.063 N/A ARG 217.A NE GLU 190.A OE1 no hydrogen 2.830 N/A ARG 217.A NE GLU 190.A OE2 no hydrogen 3.388 N/A ARG 217.A NH2 GLU 190.A OE1 no hydrogen 3.014 N/A PHE 218.A N ASN 215.A O no hydrogen 3.129 N/A HIS 219.A N PRO 216.A O no hydrogen 3.113 N/A LEU 221.A N PHE 218.A O no hydrogen 2.989 N/A ALA 225.A N PHE 223.A O no hydrogen 2.879 N/A GLN 230.A N LYS 199.A O no hydrogen 2.787 N/A SER 231.A N VAL 200.A O no hydrogen 2.835 N/A SER 231.A OG GLN 230.A O no hydrogen 2.687 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.760 N/A ARG 234.A N SER 231.A OG no hydrogen 3.086 N/A ARG 235.A N SER 231.A O no hydrogen 2.920 N/A ARG 235.A NH1 ASP 180.A OD2 no hydrogen 2.944 N/A ARG 235.A NH1 ARG 235.A O no hydrogen 3.186 N/A ARG 235.A NH2 ASP 180.A OD2 no hydrogen 3.204 N/A TYR 236.A N LEU 232.A O no hydrogen 2.839 N/A ILE 239.A N TYR 236.A O no hydrogen 2.902 N/A LEU 240.A N TYR 236.A O no hydrogen 3.035 N/A LEU 244.A N ASN 241.A OD1 no hydrogen 2.773 N/A LEU 245.A N ASN 241.A O no hydrogen 2.929 N/A ASP 246.A N SER 242.A O no hydrogen 3.019 N/A LEU 247.A N VAL 243.A O no hydrogen 3.137 N/A MET 248.A N LEU 244.A O no hydrogen 2.878 N/A LYS 249.A N LEU 245.A O no hydrogen 2.992 N/A LYS 249.A NZ GLU 233.A OE2 no hydrogen 2.822 N/A ASN 250.A N ASP 246.A O no hydrogen 3.366 N/A ASN 250.A N LEU 247.A O no hydrogen 3.056 N/A ASN 250.A ND2 ASP 246.A O no hydrogen 2.919 N/A LEU 251.A N LEU 247.A O no hydrogen 3.037 N/A LEU 251.A N MET 248.A O no hydrogen 3.158 N/A LEU 252.A N MET 248.A O no hydrogen 2.951 N/A ALA 257.A N ASP 255.A OD1 no hydrogen 3.177 N/A ASP 258.A N ASP 255.A O no hydrogen 2.957 N/A ARG 259.A N PRO 256.A O no hydrogen 3.193 N/A ARG 259.A NE LYS 253.A O no hydrogen 2.849 N/A ARG 259.A NH1 GLU 155.A OE1 no hydrogen 3.543 N/A ARG 259.A NH1 GLU 155.A OE2 no hydrogen 2.708 N/A ARG 259.A NH1 SER 165.A O no hydrogen 3.046 N/A ARG 259.A NH2 GLU 155.A OE1 no hydrogen 2.855 N/A ARG 259.A NH2 GLU 155.A OE2 no hydrogen 3.553 N/A ARG 259.A NH2 LYS 253.A O no hydrogen 3.198 N/A ARG 259.A NH2 LEU 254.A O no hydrogen 3.137 N/A TYR 260.A N ASN 250.A O no hydrogen 3.016 N/A THR 262.A OG1 HIS 109.A ND1 no hydrogen 2.766 N/A CYS 265.A N LEU 261.A O no hydrogen 3.102 N/A CYS 265.A SG LEU 261.A O no hydrogen 3.484 N/A LEU 266.A N THR 262.A O no hydrogen 2.991 N/A ASN 267.A N GLU 263.A O no hydrogen 3.210 N/A ASN 267.A N GLN 264.A O no hydrogen 3.135 N/A HIS 268.A N CYS 265.A O no hydrogen 2.957 N/A HIS 268.A ND1 THR 270.A OG1 no hydrogen 2.975 N/A HIS 268.A NE2 ASP 246.A OD2 no hydrogen 3.275 N/A THR 270.A N HIS 268.A ND1 no hydrogen 3.146 N/A THR 270.A OG1 HIS 268.A ND1 no hydrogen 2.975 N/A PHE 271.A N HIS 268.A O no hydrogen 3.027 N/A GLN 272.A N HIS 268.A O no hydrogen 3.134 N/A GLN 272.A NE2 LEU 266.A O no hydrogen 3.096 N/A THR 273.A N PRO 269.A O no hydrogen 3.068 N/A THR 273.A OG1 PRO 269.A O no hydrogen 2.835 N/A