Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jqd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLU 240.A O no hydrogen 2.772 N/A LYS 8.A NZ ASN 243.A OD1 no hydrogen 3.165 N/A VAL 10.A N HIS 6.A O no hydrogen 3.423 N/A GLU 11.A N GLY 7.A O no hydrogen 3.297 N/A SER 12.A N LYS 8.A O no hydrogen 2.860 N/A SER 12.A OG LYS 8.A O no hydrogen 3.153 N/A SER 12.A OG LEU 233.A O no hydrogen 3.247 N/A PHE 13.A N TYR 9.A O no hydrogen 2.617 N/A ARG 14.A N VAL 10.A O no hydrogen 2.786 N/A ARG 15.A N GLU 11.A O no hydrogen 3.117 N/A PHE 16.A N SER 12.A O no hydrogen 2.804 N/A LEU 17.A N PHE 13.A O no hydrogen 2.831 N/A ASN 18.A N ARG 14.A O no hydrogen 2.996 N/A HIS 19.A N PHE 16.A O no hydrogen 3.262 N/A HIS 19.A ND1 ARG 15.A O no hydrogen 3.253 N/A SER 20.A N LEU 17.A O no hydrogen 3.376 N/A SER 20.A OG PHE 16.A O no hydrogen 2.718 N/A SER 20.A OG LEU 17.A O no hydrogen 3.529 N/A THR 21.A N THR 217.A O no hydrogen 2.996 N/A THR 21.A OG1 SER 216.A OG no hydrogen 3.198 N/A CYS 25.A N THR 21.A O no hydrogen 2.700 N/A CYS 25.A SG LEU 214.A O no hydrogen 3.812 N/A CYS 25.A SG LEU 215.A O no hydrogen 3.997 N/A MET 26.A N GLU 22.A O no hydrogen 3.087 N/A GLN 27.A N HIS 23.A O no hydrogen 3.097 N/A GLU 28.A N GLN 24.A O no hydrogen 2.902 N/A PHE 29.A N CYS 25.A O no hydrogen 3.004 N/A MET 30.A N MET 26.A O no hydrogen 2.935 N/A ASP 31.A N GLN 27.A O no hydrogen 3.085 N/A LYS 32.A N GLU 28.A O no hydrogen 3.049 N/A LYS 33.A N PHE 29.A O no hydrogen 2.716 N/A LEU 34.A N PHE 29.A O no hydrogen 3.000 N/A ILE 37.A N LYS 33.A O no hydrogen 3.181 N/A ILE 38.A N LEU 34.A O no hydrogen 2.887 N/A GLY 39.A N GLY 36.A O no hydrogen 3.484 N/A ILE 41.A N ILE 38.A O no hydrogen 3.467 N/A GLY 42.A N TYR 72.A OH no hydrogen 2.890 N/A ASP 43.A N ARG 40.A O no hydrogen 3.393 N/A THR 44.A OG1 ASP 43.A O no hydrogen 2.454 N/A LYS 45.A N GLY 42.A O no hydrogen 3.134 N/A LYS 45.A NZ ILE 41.A O no hydrogen 2.891 N/A LYS 45.A NZ ASP 131.A OD1 no hydrogen 2.751 N/A LYS 45.A NZ THR 158.A O no hydrogen 2.826 N/A ILE 48.A N CYS 76.A O no hydrogen 2.920 N/A LYS 49.A N ASP 131.A OD2 no hydrogen 2.615 N/A LYS 49.A NZ GLN 128.A OE1 no hydrogen 3.046 N/A LYS 49.A NZ LYS 129.A O no hydrogen 3.307 N/A ILE 50.A N ASN 78.A O no hydrogen 2.724 N/A LEU 51.A N PHE 132.A O no hydrogen 2.770 N/A SER 52.A N GLU 80.A O no hydrogen 2.819 N/A SER 52.A OG ASP 61.A OD1 no hydrogen 2.651 N/A SER 52.A OG ASP 61.A OD2 no hydrogen 3.447 N/A ILE 53.A N HIS 134.A O no hydrogen 2.949 N/A GLY 54.A N VAL 82.A O no hydrogen 2.674 N/A GLY 56.A N GLU 83.A OE1 no hydrogen 3.123 N/A GLY 58.A N GLY 55.A O no hydrogen 3.205 N/A GLU 59.A N GLU 59.A OE2 no hydrogen 2.692 N/A LEU 62.A N GLY 58.A O no hydrogen 3.199 N/A GLN 63.A N GLU 59.A O no hydrogen 3.354 N/A ILE 64.A N ILE 60.A O no hydrogen 2.979 N/A LEU 65.A N ASP 61.A O no hydrogen 2.819 N/A SER 66.A N LEU 62.A O no hydrogen 2.930 N/A SER 66.A OG GLN 63.A O no hydrogen 2.668 N/A LYS 67.A N GLN 63.A O no hydrogen 3.350 N/A LYS 67.A NZ ASP 31.A OD1 no hydrogen 3.062 N/A VAL 68.A N ILE 64.A O no hydrogen 3.163 N/A GLN 69.A N LEU 65.A O no hydrogen 2.981 N/A ALA 70.A N SER 66.A O no hydrogen 3.036 N/A GLN 71.A N LYS 67.A O no hydrogen 3.083 N/A TYR 72.A N VAL 68.A O no hydrogen 2.842 N/A TYR 72.A N GLN 69.A O no hydrogen 3.209 N/A TYR 72.A OH ASP 43.A OD1 no hydrogen 3.105 N/A VAL 75.A N TYR 72.A O no hydrogen 3.223 N/A ILE 77.A N ASN 104.A O no hydrogen 2.957 N/A ASN 78.A N ILE 48.A O no hydrogen 2.773 N/A ASN 78.A ND2 LYS 106.A O no hydrogen 3.601 N/A ASN 79.A N LYS 106.A O no hydrogen 2.919 N/A GLU 80.A N ILE 50.A O no hydrogen 2.937 N/A VAL 81.A N ALA 108.A O no hydrogen 2.818 N/A VAL 82.A N SER 52.A O no hydrogen 2.822 N/A GLU 83.A N HIS 110.A O no hydrogen 3.038 N/A SER 85.A N GLU 83.A OE2 no hydrogen 2.917 N/A GLN 88.A N SER 85.A OG no hydrogen 2.928 N/A ILE 89.A N SER 85.A O no hydrogen 3.094 N/A ALA 90.A N ALA 86.A O no hydrogen 2.996 N/A LYS 91.A N GLU 87.A O no hydrogen 3.352 N/A TYR 92.A N GLN 88.A O no hydrogen 2.908 N/A TYR 92.A OH ASP 61.A OD1 no hydrogen 2.615 N/A LYS 93.A N ILE 89.A O no hydrogen 2.848 N/A GLU 94.A N ALA 90.A O no hydrogen 2.927 N/A LEU 95.A N LYS 91.A O no hydrogen 2.934 N/A VAL 96.A N TYR 92.A O no hydrogen 3.018 N/A ALA 97.A N LYS 93.A O no hydrogen 3.008 N/A LYS 98.A N LEU 95.A O no hydrogen 3.008 N/A THR 99.A N LEU 95.A O no hydrogen 2.960 N/A THR 99.A N VAL 96.A O no hydrogen 3.153 N/A THR 99.A OG1 LEU 95.A O no hydrogen 3.016 N/A LEU 102.A N SER 100.A O no hydrogen 2.530 N/A VAL 105.A N LEU 102.A O no hydrogen 3.286 N/A LYS 106.A N ILE 77.A O no hydrogen 2.953 N/A ALA 108.A N ASN 79.A O no hydrogen 3.429 N/A HIS 110.A N VAL 81.A O no hydrogen 2.756 N/A HIS 110.A NE2 GLU 80.A OE1 no hydrogen 2.648 N/A GLU 112.A N GLU 83.A O no hydrogen 3.154 N/A THR 113.A N GLU 116.A OE1 no hydrogen 2.824 N/A GLU 116.A N THR 113.A OG1 no hydrogen 3.135 N/A TYR 117.A N THR 113.A O no hydrogen 2.870 N/A GLN 118.A N SER 114.A O no hydrogen 2.830 N/A SER 119.A N SER 115.A O no hydrogen 3.058 N/A SER 119.A OG SER 115.A O no hydrogen 3.263 N/A SER 119.A OG GLU 116.A O no hydrogen 3.064 N/A ARG 120.A N GLU 116.A O no hydrogen 2.959 N/A ARG 120.A NH1 GLU 112.A OE2 no hydrogen 3.352 N/A MET 121.A N TYR 117.A O no hydrogen 2.870 N/A LEU 122.A N GLN 118.A O no hydrogen 2.948 N/A LEU 122.A N SER 119.A O no hydrogen 3.120 N/A GLU 123.A N ARG 120.A O no hydrogen 3.199 N/A LYS 129.A NZ SER 154.A O no hydrogen 3.104 N/A TRP 130.A N LEU 155.A O no hydrogen 2.604 N/A ASP 131.A N LYS 49.A O no hydrogen 2.923 N/A PHE 132.A N LYS 49.A O no hydrogen 3.215 N/A ILE 133.A N LYS 161.A O no hydrogen 3.065 N/A HIS 134.A N LEU 51.A O no hydrogen 3.083 N/A MET 135.A N LEU 163.A O no hydrogen 2.791 N/A GLN 137.A N ILE 165.A O no hydrogen 2.814 N/A GLN 137.A NE2 GLU 22.A OE2 no hydrogen 2.904 N/A TYR 140.A OH GLN 137.A OE1 no hydrogen 2.650 N/A TYR 141.A N MET 138.A O no hydrogen 3.084 N/A VAL 142.A N LEU 139.A O no hydrogen 3.170 N/A ALA 147.A N ASP 144.A OD1 no hydrogen 3.242 N/A THR 148.A N ASP 144.A O no hydrogen 2.986 N/A THR 148.A OG1 ASP 144.A O no hydrogen 2.772 N/A LEU 149.A N ILE 145.A O no hydrogen 2.800 N/A LYS 150.A N PRO 146.A O no hydrogen 2.973 N/A PHE 151.A N ALA 147.A O no hydrogen 2.879 N/A PHE 152.A N THR 148.A O no hydrogen 2.973 N/A HIS 153.A N LEU 149.A O no hydrogen 2.940 N/A SER 154.A N LYS 150.A O no hydrogen 3.071 N/A SER 154.A N PHE 151.A O no hydrogen 2.923 N/A SER 154.A OG PHE 151.A O no hydrogen 2.535 N/A LEU 155.A N PHE 152.A O no hydrogen 2.995 N/A LEU 156.A N HIS 153.A O no hydrogen 3.287 N/A GLY 157.A N TRP 130.A O no hydrogen 2.774 N/A ALA 160.A N GLY 157.A O no hydrogen 3.063 N/A LYS 161.A N ASP 131.A O no hydrogen 3.198 N/A LYS 161.A NZ GLU 285.A OE1 no hydrogen 2.668 N/A LYS 161.A NZ GLU 285.A OE2 no hydrogen 3.310 N/A MET 162.A N ILE 284.A O no hydrogen 2.889 N/A LEU 163.A N ILE 133.A O no hydrogen 2.708 N/A ILE 164.A N ILE 282.A O no hydrogen 2.860 N/A ILE 165.A N MET 135.A O no hydrogen 3.107 N/A VAL 166.A N SER 280.A O no hydrogen 3.393 N/A VAL 167.A N TYR 140.A OH no hydrogen 2.992 N/A SER 168.A N THR 278.A O no hydrogen 2.910 N/A SER 168.A OG SER 170.A OG no hydrogen 3.064 N/A SER 168.A OG ASP 213.A OD1 no hydrogen 2.567 N/A SER 168.A OG SER 280.A OG no hydrogen 3.220 N/A GLY 169.A N SER 195.A OG no hydrogen 2.971 N/A SER 170.A N SER 168.A OG no hydrogen 3.121 N/A SER 170.A OG SER 168.A OG no hydrogen 3.064 N/A SER 170.A OG ASP 213.A OD1 no hydrogen 3.261 N/A SER 171.A N SER 168.A O no hydrogen 3.136 N/A SER 171.A OG SER 168.A O no hydrogen 2.749 N/A GLY 172.A N ASN 276.A O no hydrogen 2.734 N/A TRP 173.A NE1 ASN 277.A OD1 no hydrogen 2.774 N/A LEU 176.A N GLY 172.A O no hydrogen 2.781 N/A TRP 177.A N TRP 173.A O no hydrogen 2.779 N/A LYS 178.A N ASP 174.A O no hydrogen 3.169 N/A LYS 178.A NZ ASP 174.A OD1 no hydrogen 3.166 N/A LYS 179.A N LYS 175.A O no hydrogen 3.095 N/A LYS 179.A NZ ASP 259.A OD2 no hydrogen 3.028 N/A TYR 180.A N LEU 176.A O no hydrogen 2.868 N/A TYR 180.A OH ASP 259.A OD2 no hydrogen 2.463 N/A GLY 181.A N TRP 177.A O no hydrogen 2.855 N/A ARG 183.A N TYR 180.A O no hydrogen 2.914 N/A PHE 184.A N GLY 181.A O no hydrogen 3.201 N/A LEU 189.A N ASP 187.A OD1 no hydrogen 2.862 N/A CYS 190.A N ASP 187.A O no hydrogen 3.069 N/A GLN 191.A N TYR 140.A O no hydrogen 2.934 N/A GLN 191.A NE2 VAL 142.A O no hydrogen 2.722 N/A GLN 191.A NE2 LYS 143.A O no hydrogen 3.297 N/A THR 194.A N ASP 197.A OD2 no hydrogen 3.105 N/A THR 194.A OG1 ASP 174.A OD2 no hydrogen 3.112 N/A SER 195.A N VAL 167.A O no hydrogen 3.029 N/A SER 195.A OG SER 280.A OG no hydrogen 2.775 N/A ASP 196.A N THR 194.A OG1 no hydrogen 3.249 N/A LEU 198.A N THR 194.A O no hydrogen 3.106 N/A THR 199.A N SER 195.A O no hydrogen 2.774 N/A THR 199.A OG1 SER 195.A O no hydrogen 2.988 N/A THR 199.A OG1 ASP 196.A O no hydrogen 3.168 N/A GLN 200.A N ASP 196.A O no hydrogen 3.068 N/A MET 201.A N ASP 197.A O no hydrogen 2.972 N/A LEU 202.A N LEU 198.A O no hydrogen 2.826 N/A ASP 203.A N THR 199.A O no hydrogen 2.804 N/A ASN 204.A N GLN 200.A O no hydrogen 2.981 N/A LEU 205.A N MET 201.A O no hydrogen 2.879 N/A GLY 206.A N ASP 203.A O no hydrogen 3.005 N/A LEU 207.A N LEU 202.A O no hydrogen 3.123 N/A TYR 209.A OH ASP 203.A OD1 no hydrogen 2.895 N/A GLU 210.A N VAL 283.A O no hydrogen 3.049 N/A TYR 212.A N PHE 281.A O no hydrogen 2.804 N/A LEU 214.A N LEU 279.A O no hydrogen 2.804 N/A SER 216.A OG THR 21.A OG1 no hydrogen 3.198 N/A THR 217.A N THR 21.A OG1 no hydrogen 2.967 N/A MET 218.A N PHE 275.A O no hydrogen 2.984 N/A ASP 219.A N HIS 19.A O no hydrogen 2.705 N/A ILE 220.A N VAL 273.A O no hydrogen 3.017 N/A SER 221.A OG ASP 219.A OD1 no hydrogen 3.050 N/A CYS 223.A N ILE 220.A O no hydrogen 2.953 N/A CYS 223.A SG GLY 231.A O no hydrogen 3.218 N/A PHE 224.A N SER 221.A O no hydrogen 3.013 N/A GLY 231.A N ASN 228.A OD1 no hydrogen 2.692 N/A ASP 232.A N ASN 228.A O no hydrogen 3.251 N/A LEU 233.A N GLU 229.A O no hydrogen 2.931 N/A LEU 234.A N ASN 230.A O no hydrogen 2.869 N/A TRP 235.A N GLY 231.A O no hydrogen 2.753 N/A TRP 235.A NE1 CYS 223.A O no hydrogen 2.659 N/A ASP 236.A N ASP 232.A O no hydrogen 3.007 N/A PHE 237.A N LEU 233.A O no hydrogen 3.160 N/A LEU 238.A N LEU 234.A O no hydrogen 2.888 N/A THR 239.A N TRP 235.A O no hydrogen 3.109 N/A THR 239.A OG1 TRP 235.A O no hydrogen 2.884 N/A THR 239.A OG1 ASP 236.A O no hydrogen 3.291 N/A GLU 240.A N PHE 237.A O no hydrogen 3.187 N/A THR 241.A N ASP 236.A O no hydrogen 3.038 N/A THR 241.A OG1 THR 239.A O no hydrogen 2.820 N/A CYS 242.A N ARG 2.A O no hydrogen 2.868 N/A CYS 242.A SG ARG 2.A O no hydrogen 3.908 N/A CYS 242.A SG SER 3.A O no hydrogen 3.766 N/A ASN 243.A N ASP 236.A OD1 no hydrogen 2.895 N/A PHE 244.A N ASP 236.A OD2 no hydrogen 2.701 N/A ALA 246.A N ASN 243.A O no hydrogen 3.169 N/A THR 247.A N ASN 243.A O no hydrogen 3.222 N/A THR 247.A N PHE 244.A O no hydrogen 3.210 N/A THR 247.A OG1 CYS 242.A O no hydrogen 3.464 N/A THR 247.A OG1 ASN 243.A O no hydrogen 2.970 N/A ALA 248.A N PHE 244.A O no hydrogen 2.846 N/A LEU 252.A N PRO 249.A O no hydrogen 2.723 N/A ARG 253.A N PRO 249.A O no hydrogen 2.992 N/A ALA 254.A N PRO 250.A O no hydrogen 2.788 N/A GLU 255.A N ASP 251.A O no hydrogen 3.139 N/A LEU 256.A N LEU 252.A O no hydrogen 2.830 N/A GLY 257.A N ARG 253.A O no hydrogen 2.763 N/A LYS 258.A N ALA 254.A O no hydrogen 3.260 N/A ASP 259.A N GLU 255.A O no hydrogen 3.041 N/A LEU 260.A N LEU 256.A O no hydrogen 2.947 N/A GLN 261.A N LYS 258.A O no hydrogen 3.118 N/A GLN 261.A NE2 GLY 257.A O no hydrogen 3.595 N/A GLU 262.A N ASP 259.A O no hydrogen 2.654 N/A PHE 265.A N GLU 262.A O no hydrogen 2.956 N/A SER 266.A N GLU 262.A O no hydrogen 2.957 N/A SER 266.A OG LEU 260.A O no hydrogen 2.608 N/A ALA 267.A N LEU 274.A O no hydrogen 3.086 N/A LYS 268.A NZ GLN 261.A OE1 no hydrogen 3.119 N/A LYS 269.A N LYS 272.A O no hydrogen 3.026 N/A LYS 272.A N LYS 269.A O no hydrogen 3.075 N/A VAL 273.A N SER 221.A OG no hydrogen 2.919 N/A LEU 274.A N ALA 267.A O no hydrogen 2.876 N/A PHE 275.A N MET 218.A O no hydrogen 2.763 N/A ASN 276.A N PHE 265.A O no hydrogen 2.972 N/A ASN 277.A N SER 216.A O no hydrogen 2.752 N/A ASN 277.A ND2 GLU 22.A OE1 no hydrogen 3.014 N/A ASN 277.A ND2 SER 216.A OG no hydrogen 2.925 N/A THR 278.A N ASN 276.A OD1 no hydrogen 2.801 N/A THR 278.A OG1 ASN 276.A OD1 no hydrogen 2.499 N/A LEU 279.A N LEU 214.A O no hydrogen 2.936 N/A SER 280.A N VAL 166.A O no hydrogen 2.947 N/A SER 280.A OG SER 195.A OG no hydrogen 2.775 N/A SER 280.A OG ASP 213.A OD2 no hydrogen 2.643 N/A PHE 281.A N TYR 212.A O no hydrogen 2.661 N/A ILE 282.A N ILE 164.A O no hydrogen 2.823 N/A VAL 283.A N GLU 210.A O no hydrogen 2.984 N/A ILE 284.A N MET 162.A O no hydrogen 2.787 N/A GLU 285.A N LYS 208.A O no hydrogen 3.052 N/A