Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jq3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 5.A OE1 no hydrogen 2.993 N/A THR 2.A OG1 GLU 5.A OE1 no hydrogen 3.301 N/A LEU 6.A N LEU 3.A O no hydrogen 3.023 N/A GLU 7.A N LEU 3.A O no hydrogen 3.173 N/A GLU 7.A N LYS 4.A O no hydrogen 3.250 N/A ARG 8.A NH1 GLU 5.A O no hydrogen 2.948 N/A ARG 8.A NH1 GLU 7.A O no hydrogen 2.966 N/A HIS 15.A N HIS 15.A ND1 no hydrogen 2.793 N/A TRP 17.A NE1 GLN 14.A O no hydrogen 2.782 N/A TYR 18.A N MET 31.A O no hydrogen 2.897 N/A TYR 18.A OH THR 65.A OG1 no hydrogen 2.865 N/A GLU 20.A N LEU 29.A O no hydrogen 2.748 N/A TYR 22.A N VAL 27.A O no hydrogen 2.944 N/A THR 23.A OG1 ASP 210.A OD2 no hydrogen 2.598 N/A ASN 25.A N TYR 22.A O no hydrogen 2.854 N/A LEU 29.A N GLU 20.A O no hydrogen 2.838 N/A MET 31.A N TYR 18.A O no hydrogen 2.834 N/A MET 33.A N LEU 16.A O no hydrogen 2.944 N/A ASN 34.A N GLU 51.A O no hydrogen 2.759 N/A ASN 34.A ND2 LEU 10.A O no hydrogen 3.047 N/A ASN 34.A ND2 GLU 51.A OE1 no hydrogen 2.851 N/A ARG 35.A NH1 GLU 51.A OE2 no hydrogen 3.148 N/A ILE 37.A N ILE 49.A O no hydrogen 2.764 N/A TYR 38.A N ILE 49.A O no hydrogen 3.074 N/A SER 39.A OG ASP 48.A OD1 no hydrogen 2.750 N/A GLY 40.A N ILE 47.A O no hydrogen 2.860 N/A SER 42.A N GLN 45.A O no hydrogen 2.981 N/A SER 42.A OG GLN 45.A O no hydrogen 3.266 N/A SER 42.A OG ASP 122.A OD1 no hydrogen 3.362 N/A SER 42.A OG ASP 122.A OD2 no hydrogen 2.673 N/A ILE 44.A N SER 42.A OG no hydrogen 2.948 N/A GLN 45.A N SER 42.A OG no hydrogen 3.067 N/A ARG 46.A N ASP 62.A OD1 no hydrogen 2.883 N/A ARG 46.A NE ASP 48.A OD1 no hydrogen 3.474 N/A ARG 46.A NE ASP 48.A OD2 no hydrogen 2.800 N/A ARG 46.A NH2 ASP 48.A OD1 no hydrogen 2.910 N/A ILE 47.A N GLY 40.A O no hydrogen 2.706 N/A ASP 48.A N ALA 60.A O no hydrogen 2.994 N/A ILE 49.A N TYR 38.A O no hydrogen 2.752 N/A PHE 50.A N VAL 58.A O no hydrogen 2.914 N/A GLU 51.A N ARG 35.A O no hydrogen 2.837 N/A ASN 52.A N GLY 56.A O no hydrogen 2.850 N/A ASN 52.A ND2 LYS 32.A O no hydrogen 2.815 N/A ASP 54.A N ASN 52.A OD1 no hydrogen 2.959 N/A LEU 55.A N ASN 52.A OD1 no hydrogen 2.840 N/A GLY 56.A N ASN 52.A O no hydrogen 2.883 N/A VAL 57.A N GLU 69.A OE1 no hydrogen 3.090 N/A VAL 58.A N PHE 50.A O no hydrogen 2.722 N/A PHE 59.A N THR 67.A O no hydrogen 2.922 N/A ALA 60.A N ASP 48.A O no hydrogen 2.845 N/A LEU 61.A N ILE 64.A O no hydrogen 2.905 N/A ASP 62.A N ARG 46.A O no hydrogen 2.915 N/A ILE 64.A N LEU 61.A O no hydrogen 2.961 N/A THR 65.A N GLU 20.A OE2 no hydrogen 3.162 N/A THR 65.A OG1 TYR 18.A OH no hydrogen 2.865 N/A THR 65.A OG1 GLU 20.A OE1 no hydrogen 2.720 N/A MET 66.A N PHE 59.A O no hydrogen 2.782 N/A THR 67.A N PHE 59.A O no hydrogen 3.220 N/A THR 68.A OG1 ASP 71.A OD1 no hydrogen 2.570 N/A GLU 69.A N VAL 57.A O no hydrogen 2.944 N/A LYS 70.A N LEU 55.A O no hydrogen 3.094 N/A ASP 71.A N THR 68.A O no hydrogen 3.349 N/A GLU 72.A N THR 68.A O no hydrogen 3.005 N/A MET 74.A N ASP 71.A O no hydrogen 3.008 N/A TYR 75.A OH ASP 169.A OD1 no hydrogen 2.706 N/A HIS 76.A N GLU 72.A O no hydrogen 3.063 N/A HIS 76.A ND1 GLU 72.A OE1 no hydrogen 2.715 N/A GLU 77.A N PHE 73.A O no hydrogen 2.885 N/A MET 78.A N MET 74.A O no hydrogen 3.448 N/A LEU 79.A N TYR 75.A O no hydrogen 2.919 N/A ALA 80.A N HIS 76.A O no hydrogen 3.082 N/A HIS 81.A N GLU 77.A O no hydrogen 2.945 N/A HIS 81.A ND1 HIS 110.A NE2 no hydrogen 2.953 N/A HIS 81.A NE2 GLU 106.A OE1 no hydrogen 2.624 N/A MET 84.A N ALA 80.A O no hydrogen 3.138 N/A PHE 85.A N HIS 81.A O no hydrogen 2.942 N/A LEU 86.A N VAL 82.A O no hydrogen 3.213 N/A HIS 87.A N PRO 83.A O no hydrogen 3.035 N/A ASN 89.A N HIS 87.A ND1 no hydrogen 3.010 N/A LYS 91.A N ASP 164.A OD2 no hydrogen 2.891 N/A LYS 92.A N ASP 164.A OD2 no hydrogen 2.975 N/A LYS 92.A NZ GLU 162.A OE2 no hydrogen 2.660 N/A VAL 93.A N LYS 115.A O no hydrogen 2.863 N/A LEU 94.A N VAL 165.A O no hydrogen 2.941 N/A ILE 95.A N ILE 117.A O no hydrogen 2.786 N/A ILE 96.A N ILE 167.A O no hydrogen 2.823 N/A GLY 97.A N CYS 119.A O no hydrogen 2.875 N/A GLY 98.A N ASP 169.A O no hydrogen 2.893 N/A GLY 101.A N GLY 98.A O no hydrogen 2.853 N/A GLY 102.A N ASP 100.A OD1 no hydrogen 2.839 N/A THR 103.A OG1 ASP 169.A OD2 no hydrogen 2.674 N/A ARG 105.A N GLY 101.A O no hydrogen 2.883 N/A ARG 105.A NE GLU 106.A OE2 no hydrogen 2.944 N/A ARG 105.A NH1 GLU 72.A OE1 no hydrogen 3.534 N/A ARG 105.A NH1 GLU 72.A OE2 no hydrogen 2.849 N/A ARG 105.A NH1 GLN 135.A O no hydrogen 2.989 N/A ARG 105.A NH2 GLU 72.A OE1 no hydrogen 2.916 N/A ARG 105.A NH2 GLU 72.A OE2 no hydrogen 3.374 N/A ARG 105.A NH2 GLU 106.A OE2 no hydrogen 2.816 N/A GLU 106.A N GLY 102.A O no hydrogen 3.136 N/A VAL 107.A N THR 103.A O no hydrogen 2.863 N/A LEU 108.A N LEU 104.A O no hydrogen 2.885 N/A LYS 109.A N GLU 106.A O no hydrogen 3.126 N/A LYS 109.A NZ GLU 106.A OE1 no hydrogen 2.827 N/A LYS 109.A NZ GLU 106.A OE2 no hydrogen 3.228 N/A LYS 109.A NZ GLU 269.A O no hydrogen 2.934 N/A HIS 110.A N VAL 107.A O no hydrogen 3.070 N/A HIS 110.A NE2 HIS 81.A ND1 no hydrogen 2.953 N/A SER 112.A OG PRO 90.A O no hydrogen 2.748 N/A VAL 113.A N HIS 110.A O no hydrogen 3.093 N/A GLU 114.A N LYS 91.A O no hydrogen 2.779 N/A LYS 115.A N LYS 91.A O no hydrogen 3.029 N/A LYS 115.A NZ GLU 146.A OE1 no hydrogen 3.523 N/A ALA 116.A N ARG 144.A O no hydrogen 2.967 N/A ILE 117.A N VAL 93.A O no hydrogen 2.799 N/A LEU 118.A N GLU 146.A O no hydrogen 2.850 N/A CYS 119.A N ILE 95.A O no hydrogen 2.875 N/A CYS 119.A SG ALA 150.A O no hydrogen 3.579 N/A GLU 120.A N VAL 148.A O no hydrogen 2.978 N/A ASP 122.A N GLU 120.A OE2 no hydrogen 2.911 N/A LEU 124.A N ASP 122.A OD1 no hydrogen 3.031 N/A VAL 125.A N ASP 122.A O no hydrogen 2.965 N/A ILE 126.A N ASP 122.A O no hydrogen 3.464 N/A GLU 127.A N GLY 123.A O no hydrogen 3.047 N/A ALA 128.A N LEU 124.A O no hydrogen 2.875 N/A ALA 129.A N VAL 125.A O no hydrogen 2.793 N/A ARG 130.A N ILE 126.A O no hydrogen 2.910 N/A LYS 131.A N GLU 127.A O no hydrogen 3.209 N/A TYR 132.A N ALA 128.A O no hydrogen 2.815 N/A LEU 133.A N ALA 129.A O no hydrogen 2.983 N/A LYS 134.A NZ LYS 131.A O no hydrogen 2.617 N/A GLN 135.A NE2 GLU 69.A O no hydrogen 3.039 N/A THR 136.A N LEU 133.A O no hydrogen 3.031 N/A THR 136.A OG1 ASP 100.A O no hydrogen 2.742 N/A THR 136.A OG1 LEU 133.A O no hydrogen 3.152 N/A SER 137.A N LEU 133.A O no hydrogen 2.962 N/A SER 137.A OG ALA 129.A O no hydrogen 2.838 N/A SER 137.A OG LEU 133.A O no hydrogen 3.074 N/A CYS 138.A SG GLN 135.A O no hydrogen 3.600 N/A PHE 140.A N SER 137.A O no hydrogen 3.110 N/A ASP 142.A N GLY 139.A O no hydrogen 2.936 N/A ARG 144.A N ASP 142.A OD1 no hydrogen 2.892 N/A ARG 144.A NE ASP 142.A OD1 no hydrogen 2.914 N/A ARG 144.A NH1 HIS 110.A O no hydrogen 3.492 N/A ARG 144.A NH1 VAL 113.A O no hydrogen 3.114 N/A ARG 144.A NH2 LEU 108.A O no hydrogen 2.951 N/A ARG 144.A NH2 ASP 142.A OD2 no hydrogen 2.893 N/A ALA 145.A N ASP 142.A O no hydrogen 2.993 N/A GLU 146.A N ALA 116.A O no hydrogen 2.892 N/A VAL 148.A N LEU 118.A O no hydrogen 2.754 N/A ALA 150.A N GLU 120.A O no hydrogen 3.016 N/A ALA 153.A N ASN 151.A OD1 no hydrogen 3.090 N/A GLU 154.A N ASN 151.A O no hydrogen 2.978 N/A TYR 155.A N ASN 151.A O no hydrogen 2.852 N/A VAL 156.A N GLY 152.A O no hydrogen 3.033 N/A LYS 158.A N TYR 155.A O no hydrogen 3.231 N/A PHE 159.A N VAL 156.A O no hydrogen 3.101 N/A LYS 160.A NZ ASP 192.A OD2 no hydrogen 3.508 N/A ASN 161.A N ASP 192.A O no hydrogen 2.992 N/A GLU 162.A N ALA 193.A O no hydrogen 2.857 N/A PHE 163.A N ALA 193.A O no hydrogen 2.987 N/A ASP 164.A N LYS 92.A O no hydrogen 2.834 N/A VAL 165.A N LYS 92.A O no hydrogen 3.428 N/A ILE 166.A N VAL 199.A O no hydrogen 3.202 N/A ILE 167.A N LEU 94.A O no hydrogen 2.886 N/A ILE 168.A N SER 201.A O no hydrogen 2.800 N/A ASP 169.A N ILE 96.A O no hydrogen 2.711 N/A SER 170.A OG THR 171.A O no hydrogen 3.337 N/A SER 170.A OG GLU 203.A OE1 no hydrogen 3.392 N/A THR 171.A OG1 ALA 175.A O no hydrogen 2.959 N/A ALA 175.A N ASP 172.A O no hydrogen 2.683 N/A GLY 178.A N ALA 175.A O no hydrogen 2.996 N/A PHE 182.A N GLY 179.A O no hydrogen 3.174 N/A TYR 187.A N THR 183.A O no hydrogen 3.057 N/A GLN 188.A N GLU 184.A O no hydrogen 2.943 N/A GLN 188.A NE2 GLN 188.A O no hydrogen 3.542 N/A GLN 188.A NE2 ASP 192.A OD1 no hydrogen 3.236 N/A ALA 189.A N GLU 185.A O no hydrogen 2.907 N/A CYS 190.A N PHE 186.A O no hydrogen 2.969 N/A CYS 190.A SG PHE 186.A O no hydrogen 3.465 N/A TYR 191.A N TYR 187.A O no hydrogen 2.917 N/A ASP 192.A N GLN 188.A O no hydrogen 2.815 N/A ALA 193.A N ALA 189.A O no hydrogen 2.987 N/A ALA 193.A N CYS 190.A O no hydrogen 3.147 N/A LEU 194.A N CYS 190.A O no hydrogen 3.127 N/A LEU 194.A N TYR 191.A O no hydrogen 3.263 N/A LYS 195.A N PHE 163.A O no hydrogen 2.884 N/A GLY 198.A N LYS 195.A O no hydrogen 3.264 N/A VAL 199.A N ASP 164.A O no hydrogen 2.894 N/A PHE 200.A N ALA 248.A O no hydrogen 2.769 N/A SER 201.A N ILE 166.A O no hydrogen 3.127 N/A SER 201.A OG LEU 79.A O no hydrogen 2.805 N/A ALA 202.A N THR 246.A O no hydrogen 3.069 N/A GLU 203.A N ILE 168.A O no hydrogen 3.115 N/A THR 204.A N SER 244.A O no hydrogen 2.931 N/A THR 204.A OG1 SER 244.A OG no hydrogen 2.784 N/A THR 204.A OG1 THR 246.A OG1 no hydrogen 3.102 N/A GLU 205.A N GLU 203.A OE2 no hydrogen 2.942 N/A TYR 209.A N ASP 206.A OD2 no hydrogen 2.801 N/A ASP 210.A N ASP 206.A OD2 no hydrogen 3.264 N/A PHE 214.A N ASP 210.A O no hydrogen 3.093 N/A LYS 215.A N ILE 211.A O no hydrogen 3.040 N/A LEU 216.A N GLY 212.A O no hydrogen 3.117 N/A ALA 217.A N TRP 213.A O no hydrogen 2.830 N/A TYR 218.A N PHE 214.A O no hydrogen 3.117 N/A ARG 219.A N LYS 215.A O no hydrogen 2.991 N/A ARG 220.A N LEU 216.A O no hydrogen 3.065 N/A ARG 220.A NH1 PHE 182.A O no hydrogen 2.914 N/A ILE 221.A N ALA 217.A O no hydrogen 3.052 N/A SER 222.A N TYR 218.A O no hydrogen 2.967 N/A SER 222.A OG TYR 218.A O no hydrogen 2.887 N/A SER 222.A OG ARG 219.A O no hydrogen 2.725 N/A LYS 223.A N ARG 219.A O no hydrogen 3.103 N/A VAL 224.A N ILE 221.A O no hydrogen 2.989 N/A PHE 225.A N ILE 221.A O no hydrogen 2.966 N/A ILE 227.A N SER 249.A O no hydrogen 3.316 N/A THR 228.A OG1 ILE 221.A O no hydrogen 3.521 N/A THR 228.A OG1 PHE 225.A O no hydrogen 3.346 N/A ARG 229.A N PHE 247.A O no hydrogen 2.796 N/A TYR 231.A N TYR 245.A O no hydrogen 2.850 N/A TYR 231.A OH MET 78.A O no hydrogen 2.777 N/A LEU 232.A N SER 281.A O no hydrogen 2.839 N/A GLY 233.A N TRP 243.A O no hydrogen 2.901 N/A PHE 234.A N TYR 272.A OH no hydrogen 3.184 N/A MET 235.A N GLY 241.A O no hydrogen 3.356 N/A THR 236.A OG1 ASP 71.A OD2 no hydrogen 2.602 N/A THR 237.A OG1 ASP 71.A OD1 no hydrogen 3.176 N/A THR 237.A OG1 ASP 71.A OD2 no hydrogen 2.752 N/A TYR 238.A N MET 235.A O no hydrogen 3.226 N/A TYR 238.A OH MET 66.A O no hydrogen 2.576 N/A SER 240.A OG PRO 239.A O no hydrogen 2.620 N/A GLY 241.A N TYR 238.A O no hydrogen 2.900 N/A MET 242.A N SER 240.A OG no hydrogen 3.251 N/A TRP 243.A N GLY 233.A O no hydrogen 2.999 N/A TRP 243.A NE1 GLU 203.A OE2 no hydrogen 3.109 N/A SER 244.A N GLU 205.A O no hydrogen 3.182 N/A SER 244.A OG THR 204.A OG1 no hydrogen 2.784 N/A SER 244.A OG GLU 205.A O no hydrogen 2.625 N/A TYR 245.A N TYR 231.A O no hydrogen 2.844 N/A THR 246.A N ALA 202.A O no hydrogen 2.832 N/A THR 246.A OG1 THR 204.A OG1 no hydrogen 3.102 N/A PHE 247.A N ARG 229.A O no hydrogen 2.767 N/A ALA 248.A N PHE 200.A O no hydrogen 2.908 N/A SER 249.A N ILE 227.A O no hydrogen 2.946 N/A SER 249.A OG ILE 252.A O no hydrogen 2.590 N/A LYS 250.A NZ TYR 191.A O no hydrogen 2.985 N/A LYS 250.A NZ LEU 194.A O no hydrogen 2.927 N/A LYS 250.A NZ LYS 195.A O no hydrogen 2.717 N/A GLY 251.A N SER 249.A OG no hydrogen 3.256 N/A ASP 253.A N ASP 257.A OD2 no hydrogen 2.795 N/A ILE 255.A N ASP 253.A OD1 no hydrogen 2.936 N/A LYS 256.A N ASP 253.A OD1 no hydrogen 2.800 N/A ASP 257.A N ASP 253.A O no hydrogen 2.970 N/A PHE 258.A N ILE 255.A O no hydrogen 3.333 N/A GLU 261.A N ASP 259.A OD1 no hydrogen 2.930 N/A LYS 262.A N ASP 259.A O no hydrogen 2.945 N/A LYS 262.A NZ PHE 85.A O no hydrogen 2.793 N/A LYS 262.A NZ HIS 87.A O no hydrogen 2.904 N/A VAL 263.A N PRO 260.A O no hydrogen 3.039 N/A ARG 264.A N PRO 260.A O no hydrogen 2.977 N/A ARG 264.A NH1 GLU 275.A OE1 no hydrogen 2.958 N/A LYS 265.A N GLU 261.A O no hydrogen 2.951 N/A LYS 265.A NZ GLU 261.A OE1 no hydrogen 3.098 N/A PHE 266.A N VAL 263.A O no hydrogen 3.177 N/A ASN 267.A ND2 ASP 111.A OD2 no hydrogen 3.049 N/A LYS 268.A NZ LYS 109.A O no hydrogen 3.484 N/A LYS 271.A N GLU 77.A OE2 no hydrogen 2.786 N/A TYR 272.A N GLU 77.A OE1 no hydrogen 2.801 N/A TYR 273.A N GLU 77.A OE1 no hydrogen 2.897 N/A VAL 277.A N ASN 274.A OD1 no hydrogen 2.819 N/A HIS 278.A N ASN 274.A O no hydrogen 2.983 N/A ALA 280.A N GLU 276.A O no hydrogen 2.921 N/A SER 281.A N VAL 277.A O no hydrogen 2.767 N/A SER 281.A OG VAL 277.A O no hydrogen 3.446 N/A SER 281.A OG HIS 278.A O no hydrogen 2.832 N/A PHE 282.A N VAL 279.A O no hydrogen 3.291 N/A ALA 283.A N ALA 280.A O no hydrogen 3.017 N/A VAL 288.A N PRO 285.A O no hydrogen 3.085 N/A LYS 289.A N PRO 285.A O no hydrogen 3.102 N/A LYS 290.A N ASN 286.A O no hydrogen 2.832 N/A GLU 291.A N PHE 287.A O no hydrogen 3.161 N/A LEU 292.A N VAL 288.A O no hydrogen 3.136 N/A GLY 293.A N LYS 290.A O no hydrogen 3.209 N/A LEU 294.A N LYS 289.A O no hydrogen 2.825 N/A MET 295.A N LYS 289.A O no hydrogen 3.487 N/A