Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jqp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD2 no hydrogen 2.569 N/A ASP 1.A N GLN 186.A OE1 no hydrogen 3.194 N/A ASP 1.A N ASP 189.A O no hydrogen 2.620 N/A THR 2.A N GLN 66.A OE1 no hydrogen 2.740 N/A ALA 4.A N THR 2.A OG1 no hydrogen 3.086 N/A ASN 5.A N SER 92.A OG no hydrogen 3.021 N/A CYS 6.A N ASN 65.A O no hydrogen 3.021 N/A THR 7.A N ASP 10.A OD2 no hydrogen 2.689 N/A THR 7.A OG1 ASP 10.A OD2 no hydrogen 2.682 N/A TYR 8.A OH LEU 47.A O no hydrogen 2.723 N/A ASP 10.A N THR 7.A O no hydrogen 2.935 N/A LEU 11.A N TYR 8.A O no hydrogen 2.817 N/A LEU 12.A N TYR 8.A O no hydrogen 3.347 N/A GLY 13.A N LEU 44.A O no hydrogen 3.096 N/A THR 14.A OG1 HIS 43.A ND1 no hydrogen 3.002 N/A TRP 15.A N ILE 42.A O no hydrogen 2.880 N/A TRP 15.A NE1 LEU 11.A O no hydrogen 2.714 N/A VAL 16.A N LYS 116.A O no hydrogen 3.042 N/A PHE 17.A N VAL 40.A O no hydrogen 2.685 N/A GLN 18.A N VAL 114.A O no hydrogen 2.870 N/A GLN 18.A NE2 THR 36.A OG1 no hydrogen 2.572 N/A VAL 19.A N GLU 38.A O no hydrogen 2.800 N/A GLY 20.A N CYS 112.A O no hydrogen 2.914 N/A ARG 22.A NE ASN 109.A OD1 no hydrogen 2.837 N/A ARG 22.A NH2 ARG 108.A O no hydrogen 3.488 N/A ARG 22.A NH2 ASN 109.A OD1 no hydrogen 3.189 N/A HIS 23.A N TRP 110.A O no hydrogen 2.904 N/A HIS 23.A NE2 GLU 34.A OE1 no hydrogen 3.008 N/A ARG 25.A NH1 ASP 203.A O no hydrogen 2.921 N/A CYS 30.A SG GLY 100.A O no hydrogen 3.648 N/A SER 31.A N ASN 29.A OD1 no hydrogen 3.059 N/A SER 31.A OG ASN 29.A OD1 no hydrogen 3.118 N/A GLU 37.A N VAL 19.A O no hydrogen 2.786 N/A GLU 38.A N VAL 19.A O no hydrogen 3.147 N/A VAL 40.A N PHE 17.A O no hydrogen 2.744 N/A ILE 42.A N TRP 15.A O no hydrogen 2.984 N/A HIS 43.A N TYR 51.A O no hydrogen 2.972 N/A HIS 43.A NE2 GLU 53.A OE1 no hydrogen 2.983 N/A LEU 44.A N GLY 13.A O no hydrogen 2.922 N/A LYS 45.A N THR 49.A O no hydrogen 2.918 N/A THR 49.A N LYS 45.A O no hydrogen 3.013 N/A ALA 50.A N GLY 58.A O no hydrogen 3.010 N/A TYR 51.A N HIS 43.A O no hydrogen 3.076 N/A ASP 52.A N ASN 56.A O no hydrogen 3.138 N/A VAL 54.A N ASP 52.A OD1 no hydrogen 2.976 N/A ASN 56.A N ASP 52.A OD1 no hydrogen 2.902 N/A ASN 56.A ND2 ASP 52.A OD2 no hydrogen 2.745 N/A TYR 59.A N VAL 71.A O no hydrogen 2.919 N/A TYR 59.A OH TYR 194.A OH no hydrogen 3.336 N/A PHE 60.A N ASP 48.A O no hydrogen 3.257 N/A THR 61.A N GLU 69.A O no hydrogen 3.006 N/A THR 61.A OG1 LEU 62.A O no hydrogen 2.944 N/A ILE 63.A N GLY 67.A O no hydrogen 2.859 N/A ASN 65.A ND2 ASN 5.A OD1 no hydrogen 3.073 N/A GLN 66.A N ILE 63.A O no hydrogen 2.978 N/A GLN 66.A NE2 THR 2.A O no hydrogen 3.248 N/A GLN 66.A NE2 ASN 65.A OD1 no hydrogen 2.961 N/A PHE 68.A N ALA 79.A O no hydrogen 3.340 N/A GLU 69.A N THR 61.A O no hydrogen 3.109 N/A ILE 70.A N TRP 77.A O no hydrogen 2.753 N/A VAL 71.A N TYR 59.A O no hydrogen 2.842 N/A LEU 72.A N TYR 75.A O no hydrogen 2.964 N/A ASN 73.A ND2 ASP 52.A OD2 no hydrogen 2.977 N/A TYR 75.A N LEU 72.A O no hydrogen 2.969 N/A LYS 76.A N HIS 103.A O no hydrogen 2.775 N/A LYS 76.A NZ GLN 202.A OE1 no hydrogen 2.673 N/A LYS 76.A NZ TYR 235.A OH no hydrogen 3.202 N/A TRP 77.A N ILE 70.A O no hydrogen 2.641 N/A PHE 78.A N TRP 101.A O no hydrogen 2.983 N/A PHE 81.A N GLN 66.A O no hydrogen 2.752 N/A LYS 82.A N GLU 96.A O no hydrogen 3.204 N/A LYS 82.A NZ GLU 96.A OE2 no hydrogen 3.450 N/A GLU 84.A N ILE 91.A O no hydrogen 2.823 N/A LYS 86.A N ARG 89.A O no hydrogen 3.041 N/A LYS 86.A NZ GLU 84.A OE2 no hydrogen 3.110 N/A LYS 86.A NZ VAL 85.A O no hydrogen 2.758 N/A ARG 89.A N LYS 86.A O no hydrogen 3.209 N/A ILE 91.A N GLU 84.A O no hydrogen 2.701 N/A TYR 93.A N LYS 82.A O no hydrogen 2.742 N/A TYR 93.A OH GLU 84.A OE1 no hydrogen 2.801 N/A CYS 94.A SG ASP 10.A OD2 no hydrogen 3.852 N/A GLU 96.A N TYR 93.A O no hydrogen 3.129 N/A THR 97.A OG1 MET 98.A O no hydrogen 2.573 N/A MET 98.A N PHE 80.A O no hydrogen 2.890 N/A THR 99.A OG1 CYS 30.A O no hydrogen 2.345 N/A GLY 100.A N PHE 113.A O no hydrogen 2.597 N/A TRP 101.A N PHE 78.A O no hydrogen 2.944 N/A VAL 102.A N ALA 111.A O no hydrogen 3.080 N/A HIS 103.A N LYS 76.A O no hydrogen 3.085 N/A HIS 103.A ND1 ASP 104.A O no hydrogen 2.808 N/A HIS 103.A NE2 ASP 203.A OD2 no hydrogen 2.791 N/A ASP 104.A N ASN 109.A O no hydrogen 3.341 N/A VAL 105.A N ASP 74.A O no hydrogen 2.964 N/A LEU 106.A N ASP 104.A OD2 no hydrogen 3.020 N/A GLY 107.A N ASP 104.A O no hydrogen 2.770 N/A ARG 108.A N ASP 104.A OD2 no hydrogen 2.925 N/A ASN 109.A N ASP 104.A OD1 no hydrogen 2.776 N/A TRP 110.A N HIS 23.A O no hydrogen 3.075 N/A TRP 110.A NE1 GLY 107.A O no hydrogen 2.615 N/A ALA 111.A N VAL 102.A O no hydrogen 3.072 N/A CYS 112.A SG ASN 29.A O no hydrogen 3.586 N/A PHE 113.A N GLY 100.A O no hydrogen 2.905 N/A VAL 114.A N GLN 18.A O no hydrogen 3.094 N/A GLY 115.A N THR 97.A OG1 no hydrogen 2.998 N/A LYS 116.A N VAL 16.A O no hydrogen 3.080 N/A LYS 117.A N HIS 95.A O no hydrogen 2.640 N/A LYS 117.A NZ ASP 10.A O no hydrogen 2.615 N/A LYS 117.A NZ LEU 12.A O no hydrogen 2.671 N/A LYS 117.A NZ HIS 95.A NE2 no hydrogen 3.474 N/A MET 118.A N THR 14.A O no hydrogen 2.641 N/A TRP 125.A N TYR 297.A O no hydrogen 3.023 N/A TRP 127.A N VAL 295.A O no hydrogen 3.230 N/A TRP 127.A NE1 LEU 254.A O no hydrogen 2.885 N/A ARG 128.A N ASP 126.A OD1 no hydrogen 2.802 N/A ARG 128.A NE ASP 126.A OD1 no hydrogen 3.078 N/A ARG 128.A NH2 ASP 126.A OD2 no hydrogen 3.037 N/A ASN 129.A N ASP 126.A O no hydrogen 2.919 N/A VAL 130.A N ILE 133.A O no hydrogen 2.775 N/A ILE 133.A N VAL 130.A O no hydrogen 3.133 N/A ASN 134.A ND2 VAL 136.A O no hydrogen 3.022 N/A PHE 135.A N TRP 127.A O no hydrogen 2.881 N/A VAL 136.A N ASN 134.A OD1 no hydrogen 2.985 N/A SER 137.A OG GLU 158.A OE1 no hydrogen 2.646 N/A ARG 140.A NH1 GLU 209.A OE1 no hydrogen 2.856 N/A ARG 140.A NH2 GLU 209.A OE1 no hydrogen 3.019 N/A GLN 142.A N SER 313.A O no hydrogen 2.911 N/A GLN 142.A NE2 CYS 145.A O no hydrogen 2.882 N/A GLU 143.A N ASN 141.A OD1 no hydrogen 2.817 N/A GLY 146.A N CYS 188.A O no hydrogen 2.913 N/A SER 147.A N CYS 145.A O no hydrogen 2.681 N/A SER 147.A OG CYS 145.A O no hydrogen 3.539 N/A SER 147.A OG TYR 214.A OH no hydrogen 2.665 N/A TYR 149.A OH GLY 187.A O no hydrogen 2.717 N/A SER 150.A N SER 147.A O no hydrogen 2.813 N/A SER 150.A OG PRO 175.A O no hydrogen 3.334 N/A PHE 151.A N SER 147.A O no hydrogen 3.249 N/A ALA 152.A N CYS 148.A O no hydrogen 2.935 N/A SER 153.A N TYR 149.A O no hydrogen 3.058 N/A SER 153.A OG TYR 149.A O no hydrogen 2.845 N/A LEU 154.A N SER 150.A O no hydrogen 3.052 N/A GLY 155.A N PHE 151.A O no hydrogen 2.680 N/A MET 156.A N ALA 152.A O no hydrogen 3.137 N/A MET 156.A N SER 153.A O no hydrogen 3.207 N/A LEU 157.A N SER 153.A O no hydrogen 3.250 N/A GLU 158.A N LEU 154.A O no hydrogen 2.802 N/A ALA 159.A N GLY 155.A O no hydrogen 3.241 N/A ARG 160.A N MET 156.A O no hydrogen 2.839 N/A ARG 160.A NE PRO 259.A O no hydrogen 3.003 N/A ARG 160.A NH1 GLU 253.A OE2 no hydrogen 3.323 N/A ARG 160.A NH1 ALA 342.A O no hydrogen 2.838 N/A ARG 160.A NH2 GLU 253.A OE2 no hydrogen 2.846 N/A ARG 160.A NH2 GLY 258.A O no hydrogen 3.007 N/A ILE 161.A N LEU 157.A O no hydrogen 3.010 N/A ARG 162.A N GLU 158.A O no hydrogen 3.199 N/A ARG 162.A NE ASN 167.A OD1 no hydrogen 2.764 N/A ARG 162.A NH2 ASN 134.A O no hydrogen 3.117 N/A ARG 162.A NH2 ASN 167.A OD1 no hydrogen 3.113 N/A ILE 163.A N ALA 159.A O no hydrogen 3.023 N/A LEU 164.A N ARG 160.A O no hydrogen 3.055 N/A THR 165.A N ILE 161.A O no hydrogen 3.076 N/A THR 165.A OG1 ILE 161.A O no hydrogen 2.955 N/A THR 165.A OG1 ARG 162.A O no hydrogen 3.522 N/A THR 165.A OG1 GLN 169.A O no hydrogen 3.550 N/A ASN 166.A N ILE 163.A O no hydrogen 3.271 N/A ASN 167.A N ARG 162.A O no hydrogen 2.741 N/A ASN 167.A ND2 ASN 134.A O no hydrogen 3.273 N/A SER 168.A N THR 165.A O no hydrogen 2.895 N/A SER 168.A OG THR 165.A O no hydrogen 2.640 N/A GLN 169.A N THR 165.A OG1 no hydrogen 3.142 N/A GLN 169.A NE2 LYS 347.A O no hydrogen 2.677 N/A LEU 173.A N GLU 158.A OE2 no hydrogen 2.791 N/A SER 174.A N VAL 207.A O no hydrogen 2.718 N/A SER 174.A OG PHE 212.A O no hydrogen 2.970 N/A GLN 176.A NE2 SER 180.A OG no hydrogen 2.856 N/A GLN 176.A NE2 THR 217.A O no hydrogen 2.832 N/A GLU 177.A N SER 174.A OG no hydrogen 2.857 N/A VAL 179.A N PRO 175.A O no hydrogen 2.909 N/A SER 180.A N GLN 176.A O no hydrogen 2.809 N/A SER 180.A OG GLN 176.A O no hydrogen 3.374 N/A SER 180.A OG ALA 219.A O no hydrogen 2.617 N/A CYS 181.A N GLU 177.A O no hydrogen 2.804 N/A SER 182.A N VAL 178.A O no hydrogen 3.118 N/A TYR 184.A N SER 182.A OG no hydrogen 3.163 N/A TYR 184.A OH ASP 203.A OD2 no hydrogen 2.988 N/A GLN 186.A N GLY 190.A O no hydrogen 2.890 N/A CYS 188.A N ASP 218.A OD2 no hydrogen 2.724 N/A CYS 188.A SG ASP 218.A OD2 no hydrogen 3.749 N/A ASP 189.A N GLN 186.A O no hydrogen 2.899 N/A TYR 194.A OH TYR 59.A OH no hydrogen 3.336 N/A TYR 194.A OH GLU 69.A OE1 no hydrogen 2.552 N/A LEU 195.A N PHE 192.A O no hydrogen 2.906 N/A ILE 196.A N PHE 192.A O no hydrogen 3.170 N/A ILE 196.A N PRO 193.A O no hydrogen 2.779 N/A ALA 197.A N SER 153.A OG no hydrogen 3.283 N/A GLY 198.A N PRO 193.A O no hydrogen 3.234 N/A LYS 199.A N TYR 194.A O no hydrogen 3.023 N/A LYS 199.A NZ GLU 69.A OE2 no hydrogen 3.038 N/A TYR 200.A N LEU 195.A O no hydrogen 2.726 N/A TYR 200.A OH GLU 177.A OE2 no hydrogen 2.624 N/A ALA 201.A N ILE 196.A O no hydrogen 2.935 N/A GLN 202.A N GLY 198.A O no hydrogen 2.915 N/A GLN 202.A NE2 SER 232.A O no hydrogen 3.245 N/A ASP 203.A N LYS 199.A O no hydrogen 2.879 N/A PHE 204.A N TYR 200.A O no hydrogen 2.928 N/A GLY 205.A N TYR 200.A O no hydrogen 2.940 N/A VAL 206.A N TYR 230.A O no hydrogen 2.890 N/A GLU 209.A N ILE 172.A O no hydrogen 2.818 N/A CYS 211.A N GLU 208.A O no hydrogen 3.038 N/A CYS 211.A SG LYS 224.A O no hydrogen 3.914 N/A PHE 212.A N GLU 209.A O no hydrogen 2.705 N/A TYR 214.A N GLU 209.A OE2 no hydrogen 2.877 N/A TYR 214.A OH GLN 142.A O no hydrogen 2.641 N/A TYR 214.A OH SER 147.A OG no hydrogen 2.665 N/A THR 215.A N GLN 176.A OE1 no hydrogen 2.796 N/A THR 215.A OG1 GLN 176.A OE1 no hydrogen 3.149 N/A THR 215.A OG1 THR 217.A OG1 no hydrogen 2.578 N/A THR 217.A OG1 THR 215.A OG1 no hydrogen 2.578 N/A LYS 224.A N CYS 211.A O no hydrogen 2.978 N/A CYS 227.A SG LYS 224.A O no hydrogen 3.625 N/A ARG 229.A NE PHE 204.A O no hydrogen 2.703 N/A ARG 229.A NH2 GLU 177.A OE2 no hydrogen 3.049 N/A ARG 229.A NH2 GLY 205.A O no hydrogen 2.975 N/A TYR 230.A N VAL 206.A O no hydrogen 2.783 N/A TYR 230.A OH GLU 208.A OE2 no hydrogen 2.991 N/A SER 232.A OG ALA 197.A O no hydrogen 2.811 N/A SER 233.A N ILE 343.A O no hydrogen 2.894 N/A SER 233.A OG ILE 343.A O no hydrogen 3.479 N/A TYR 235.A N GLU 234.A OE1 no hydrogen 2.872 N/A TYR 235.A OH GLU 69.A OE2 no hydrogen 2.891 N/A TYR 236.A N ALA 341.A O no hydrogen 2.906 N/A TYR 236.A OH GLU 253.A OE1 no hydrogen 3.003 N/A TYR 236.A OH GLU 253.A OE2 no hydrogen 2.930 N/A VAL 238.A N ALA 339.A O no hydrogen 2.927 N/A GLY 240.A N TYR 237.A O no hydrogen 2.701 N/A TYR 242.A N THR 61.A OG1 no hydrogen 2.973 N/A GLY 244.A N PHE 241.A O no hydrogen 2.960 N/A CYS 245.A SG GLU 336.A O no hydrogen 3.228 N/A LEU 249.A N ASN 246.A OD1 no hydrogen 2.957 N/A MET 250.A N ASN 246.A O no hydrogen 3.113 N/A LYS 251.A N GLU 247.A O no hydrogen 2.944 N/A LEU 252.A N ALA 248.A O no hydrogen 3.089 N/A GLU 253.A N LEU 249.A O no hydrogen 2.927 N/A LEU 254.A N MET 250.A O no hydrogen 2.838 N/A VAL 255.A N LYS 251.A O no hydrogen 3.064 N/A LYS 256.A N LEU 252.A O no hydrogen 2.904 N/A HIS 257.A N GLU 253.A O no hydrogen 2.903 N/A GLY 258.A N LEU 254.A O no hydrogen 2.828 N/A MET 260.A N LEU 294.A O no hydrogen 3.227 N/A ALA 261.A N MET 340.A O no hydrogen 3.011 N/A VAL 262.A N VAL 292.A O no hydrogen 2.991 N/A PHE 264.A N HIS 290.A O no hydrogen 3.116 N/A GLU 265.A N CYS 333.A O no hydrogen 3.040 N/A VAL 266.A N ASN 289.A OD1 no hydrogen 2.736 N/A PHE 270.A N HIS 267.A O no hydrogen 3.067 N/A LEU 271.A N ASP 268.A O no hydrogen 2.967 N/A TYR 273.A N PHE 270.A O no hydrogen 3.056 N/A TYR 273.A OH GLY 276.A O no hydrogen 2.720 N/A HIS 274.A ND1 HIS 272.A O no hydrogen 2.620 N/A GLY 276.A N GLU 320.A OE2 no hydrogen 3.050 N/A TYR 278.A N ARG 325.A O no hydrogen 2.800 N/A TYR 278.A OH ASP 269.A OD1 no hydrogen 2.636 N/A HIS 279.A ND1 GLU 332.A OE2 no hydrogen 2.878 N/A HIS 280.A N GLU 332.A OE1 no hydrogen 2.965 N/A HIS 280.A ND1 ASP 269.A OD2 no hydrogen 2.686 N/A PHE 285.A N ASN 283.A OD1 no hydrogen 3.167 N/A THR 288.A N TYR 64.A OH no hydrogen 2.959 N/A ASN 289.A N PHE 264.A O no hydrogen 2.885 N/A ASN 289.A ND2 VAL 266.A O no hydrogen 3.290 N/A HIS 290.A N PHE 264.A O no hydrogen 3.235 N/A HIS 290.A NE2 ASN 312.A OD1 no hydrogen 2.886 N/A VAL 292.A N VAL 262.A O no hydrogen 2.879 N/A LEU 293.A N LYS 311.A O no hydrogen 3.223 N/A LEU 294.A N MET 260.A O no hydrogen 2.722 N/A VAL 295.A N ILE 309.A O no hydrogen 2.803 N/A GLY 296.A N ILE 309.A O no hydrogen 3.148 N/A TYR 297.A N TRP 125.A O no hydrogen 2.814 N/A TYR 297.A OH PRO 122.A O no hydrogen 2.785 N/A GLY 298.A N TYR 307.A O no hydrogen 3.217 N/A ASP 300.A N LEU 305.A O no hydrogen 3.095 N/A VAL 302.A N ASP 300.A OD2 no hydrogen 2.913 N/A LEU 305.A N THR 303.A OG1 no hydrogen 3.030 N/A TYR 307.A N GLY 298.A O no hydrogen 3.050 N/A TRP 308.A N ILE 326.A O no hydrogen 2.688 N/A TRP 308.A NE1 GLU 336.A OE2 no hydrogen 2.766 N/A ILE 309.A N GLY 296.A O no hydrogen 2.718 N/A VAL 310.A N PHE 324.A O no hydrogen 3.003 N/A LYS 311.A N LEU 293.A O no hydrogen 2.788 N/A LYS 311.A NZ SER 137.A O no hydrogen 2.647 N/A LYS 311.A NZ PRO 138.A O no hydrogen 3.245 N/A ASN 312.A N GLY 322.A O no hydrogen 3.015 N/A SER 313.A N ASN 312.A OD1 no hydrogen 2.752 N/A SER 313.A OG GLN 142.A OE1 no hydrogen 2.820 N/A GLY 315.A N ARG 140.A O no hydrogen 2.995 N/A TRP 318.A N GLY 315.A O no hydrogen 3.421 N/A TRP 318.A NE1 LEU 271.A O no hydrogen 3.347 N/A GLU 320.A N TYR 323.A O no hydrogen 2.699 N/A GLY 322.A N TRP 318.A O no hydrogen 2.767 N/A TYR 323.A N GLU 320.A O no hydrogen 3.020 N/A PHE 324.A N VAL 310.A O no hydrogen 3.003 N/A ARG 325.A N TYR 273.A OH no hydrogen 3.051 N/A ARG 325.A NE GLU 320.A OE1 no hydrogen 2.923 N/A ARG 325.A NH2 GLU 320.A OE2 no hydrogen 3.158 N/A ILE 326.A N TRP 308.A O no hydrogen 3.055 N/A ARG 327.A N TYR 278.A O no hydrogen 3.126 N/A ARG 328.A N ASP 306.A O no hydrogen 2.798 N/A ARG 328.A NE TYR 307.A O no hydrogen 2.939 N/A ARG 328.A NH1 GLU 247.A OE2 no hydrogen 2.899 N/A ARG 328.A NH2 GLY 298.A O no hydrogen 2.646 N/A GLY 329.A N GLU 336.A OE2 no hydrogen 2.728 N/A ASP 331.A N GLU 336.A OE1 no hydrogen 2.853 N/A CYS 333.A SG GLU 265.A O no hydrogen 3.850 N/A CYS 333.A SG GLU 332.A OE1 no hydrogen 3.289 N/A ALA 334.A N ASP 331.A O no hydrogen 2.820 N/A ILE 335.A N GLU 332.A O no hydrogen 3.010 N/A GLU 336.A N ASP 331.A OD1 no hydrogen 3.040 N/A SER 337.A N ALA 334.A O no hydrogen 3.147 N/A SER 337.A OG ALA 334.A O no hydrogen 2.546 N/A MET 340.A N ALA 261.A O no hydrogen 2.807 N/A ALA 341.A N TYR 236.A O no hydrogen 2.962 N/A ILE 343.A N GLU 234.A O no hydrogen 2.708 N/A ILE 345.A N TYR 231.A O no hydrogen 2.754 N/A LYS 347.A N GLN 169.A OE1 no hydrogen 2.873 N/A