Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pi7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N GLU 115.A OE1 no hydrogen 2.962 N/A LYS 6.A NZ GLU 115.A OE2 no hydrogen 2.794 N/A LYS 6.A NZ PRO 335.A OXT no hydrogen 2.718 N/A ALA 7.A N GLY 33.A O no hydrogen 2.981 N/A LEU 8.A N TRP 113.A O no hydrogen 2.808 N/A LEU 9.A N GLU 31.A O no hydrogen 2.756 N/A LEU 10.A N ARG 74.A O no hydrogen 2.829 N/A VAL 11.A N TYR 29.A O no hydrogen 2.924 N/A GLY 14.A N ARG 70.A O no hydrogen 2.820 N/A THR 16.A N GLY 64.A O no hydrogen 2.951 N/A THR 18.A N THR 16.A OG1 no hydrogen 3.113 N/A SER 20.A N GLN 65.A OE1 no hydrogen 2.670 N/A SER 22.A OG LEU 253.A O no hydrogen 2.693 N/A GLU 25.A N GLU 25.A OE1 no hydrogen 2.674 N/A TYR 29.A OH GLU 25.A OE2 no hydrogen 2.854 N/A GLU 31.A N LEU 9.A O no hydrogen 2.901 N/A GLY 33.A N ALA 7.A O no hydrogen 2.972 N/A ARG 34.A NE GLU 5.A OE2 no hydrogen 2.833 N/A VAL 37.A N SER 4.A O no hydrogen 2.942 N/A GLY 41.A N GLN 44.A OE1 no hydrogen 2.718 N/A SER 43.A OG GLU 120.A OE1 no hydrogen 2.591 N/A GLN 44.A N GLY 41.A O no hydrogen 2.991 N/A GLN 44.A NE2 GLU 120.A OE2 no hydrogen 3.297 N/A VAL 45.A N ALA 119.A O no hydrogen 2.833 N/A LEU 46.A N ALA 86.A O no hydrogen 2.793 N/A ILE 47.A N ALA 117.A O no hydrogen 2.805 N/A LYS 48.A N THR 83.A O no hydrogen 2.809 N/A VAL 49.A N GLU 115.A O no hydrogen 2.893 N/A ASN 50.A N VAL 81.A O no hydrogen 2.746 N/A LEU 51.A N VAL 81.A O no hydrogen 3.283 N/A ALA 52.A N ILE 333.A O no hydrogen 2.800 N/A SER 53.A N GLU 79.A O no hydrogen 3.161 N/A SER 53.A OG GLU 79.A OE2 no hydrogen 3.486 N/A SER 53.A OG ALA 137.A O no hydrogen 2.557 N/A ILE 54.A N VAL 331.A O no hydrogen 3.240 N/A ASN 55.A N ASP 58.A OD2 no hydrogen 2.880 N/A ASN 55.A ND2 GLU 79.A OE2 no hydrogen 2.795 N/A ASP 58.A N ASN 55.A O no hydrogen 2.781 N/A VAL 59.A N ASN 55.A O no hydrogen 3.374 N/A ALA 60.A N PRO 56.A O no hydrogen 2.974 N/A PHE 61.A N SER 57.A O no hydrogen 2.871 N/A ILE 62.A N ASP 58.A O no hydrogen 2.917 N/A LYS 63.A N VAL 59.A O no hydrogen 3.256 N/A LYS 63.A NZ SER 20.A O no hydrogen 3.285 N/A LYS 63.A NZ SER 20.A OG no hydrogen 2.597 N/A LYS 63.A NZ GLY 21.A O no hydrogen 3.240 N/A GLY 64.A N PHE 61.A O no hydrogen 2.983 N/A GLN 65.A N ALA 60.A O no hydrogen 2.825 N/A GLN 65.A NE2 GLY 21.A O no hydrogen 2.631 N/A GLN 68.A NE2 GLY 106.A O no hydrogen 2.887 N/A ARG 70.A N GLY 14.A O no hydrogen 2.995 N/A ARG 70.A NE GLY 14.A O no hydrogen 2.935 N/A ARG 70.A NH1 ILE 62.A O no hydrogen 3.020 N/A ARG 70.A NH2 ASP 13.A O no hydrogen 3.022 N/A LYS 72.A N ASP 13.A OD1 no hydrogen 2.938 N/A LYS 72.A NZ VAL 11.A O no hydrogen 2.820 N/A GLY 73.A N LEU 10.A O no hydrogen 2.813 N/A ARG 74.A N VAL 71.A O no hydrogen 3.108 N/A ARG 74.A NH1 ASN 109.A O no hydrogen 3.058 N/A ALA 76.A N LEU 8.A O no hydrogen 3.181 N/A PHE 78.A N ASP 58.A OD1 no hydrogen 2.799 N/A GLY 80.A N PHE 103.A O no hydrogen 3.073 N/A VAL 81.A N LEU 51.A O no hydrogen 2.874 N/A GLY 82.A N VAL 101.A O no hydrogen 2.975 N/A THR 83.A N LYS 48.A O no hydrogen 3.005 N/A ILE 84.A N LYS 99.A O no hydrogen 2.888 N/A VAL 85.A N LEU 46.A O no hydrogen 2.902 N/A GLY 88.A N GLN 44.A O no hydrogen 2.813 N/A GLU 90.A N PRO 42.A O no hydrogen 3.029 N/A LYS 94.A N GLU 90.A O no hydrogen 2.965 N/A LYS 94.A NZ GLY 87.A O no hydrogen 2.907 N/A SER 95.A N PRO 91.A O no hydrogen 2.841 N/A SER 95.A OG PRO 91.A O no hydrogen 3.011 N/A LEU 96.A N ALA 93.A O no hydrogen 3.149 N/A VAL 97.A N LYS 94.A O no hydrogen 3.240 N/A GLY 98.A N ILE 84.A O no hydrogen 2.739 N/A LYS 99.A N LEU 96.A O no hydrogen 2.948 N/A LYS 99.A NZ SER 95.A O no hydrogen 2.789 N/A ARG 100.A NH1 VAL 131.A O no hydrogen 2.810 N/A ARG 100.A NH1 ASP 133.A OD1.B no hydrogen 2.750 N/A ARG 100.A NH2 VAL 131.A O no hydrogen 2.800 N/A VAL 101.A N GLY 82.A O no hydrogen 2.759 N/A ALA 102.A N ILE 125.A O no hydrogen 2.969 N/A PHE 103.A N GLY 80.A O no hydrogen 2.821 N/A ALA 104.A N ALA 123.A O no hydrogen 3.132 N/A THR 105.A N PHE 78.A O no hydrogen 2.796 N/A THR 105.A OG1 GLY 77.A O no hydrogen 2.926 N/A THR 105.A OG1 PHE 78.A O no hydrogen 3.268 N/A SER 108.A N THR 105.A O no hydrogen 2.839 N/A SER 108.A OG THR 105.A O no hydrogen 3.145 N/A SER 108.A OG TRP 110.A O no hydrogen 3.400 N/A SER 108.A OG VAL 118.A O no hydrogen 2.697 N/A TRP 110.A N SER 108.A OG no hydrogen 3.115 N/A GLY 111.A N PRO 75.A O no hydrogen 2.941 N/A SER 112.A N GLY 77.A O no hydrogen 2.889 N/A SER 112.A OG GLU 79.A O no hydrogen 2.940 N/A TRP 113.A N ALA 76.A O no hydrogen 2.876 N/A TRP 113.A NE1 SER 53.A O no hydrogen 3.047 N/A GLU 115.A N LYS 6.A O no hydrogen 3.091 N/A ALA 117.A N ILE 47.A O no hydrogen 2.857 N/A VAL 118.A N TRP 110.A O no hydrogen 3.058 N/A ALA 119.A N VAL 45.A O no hydrogen 3.106 N/A ALA 121.A N SER 43.A O no hydrogen 2.833 N/A ALA 123.A N GLU 120.A O no hydrogen 2.834 N/A CYS 124.A N ALA 121.A O no hydrogen 3.088 N/A CYS 124.A SG GLU 120.A O no hydrogen 3.562 N/A ILE 125.A N ALA 102.A O no hydrogen 2.810 N/A LEU 127.A N ARG 100.A O no hydrogen 2.895 N/A LEU 128.A N.A GLN 296.A OE1.B no hydrogen 2.745 N/A LEU 128.A N.B GLN 296.A OE1.B no hydrogen 2.744 N/A VAL 131.A N LEU 128.A O.A no hydrogen 3.026 N/A VAL 131.A N LEU 128.A O.B no hydrogen 2.947 N/A ASP 133.A O.B ARG 132.A O no hydrogen 3.456 N/A ASP 133.A OD1.B ASP 133.A OD2.B no hydrogen 2.209 N/A ASP 133.A OD2.B ASP 133.A OD1.B no hydrogen 2.209 N/A GLU 134.A N.A ASP 133.A O.B no hydrogen 2.434 N/A GLU 134.A N.A GLU 134.A OE1.A no hydrogen 2.784 N/A ASP 135.A N ARG 132.A O no hydrogen 3.263 N/A GLY 136.A N ARG 132.A O no hydrogen 3.260 N/A ALA 137.A N ASP 133.A O.B no hydrogen 3.222 N/A VAL 140.A N GLU 79.A OE1 no hydrogen 3.032 N/A LEU 143.A N ILE 139.A O no hydrogen 3.013 N/A THR 144.A N VAL 140.A O no hydrogen 3.127 N/A THR 144.A OG1 VAL 140.A O no hydrogen 2.578 N/A ALA 145.A N ASN 141.A O no hydrogen 2.809 N/A ILE 146.A N PRO 142.A O no hydrogen 3.005 N/A ALA 147.A N LEU 143.A O no hydrogen 2.945 N/A ASP 149.A N ILE 146.A O no hydrogen 2.985 N/A LYS 152.A N PHE 148.A O no hydrogen 2.868 N/A GLN 153.A N ASP 149.A O no hydrogen 2.881 N/A GLU 154.A N ILE 150.A O no hydrogen 3.027 N/A GLY 155.A N VAL 151.A O no hydrogen 3.184 N/A LYS 157.A NZ GLU 178.A O no hydrogen 3.311 N/A PHE 159.A N ARG 181.A O no hydrogen 3.251 N/A VAL 160.A N ILE 225.A O no hydrogen 2.868 N/A THR 161.A OG1 ASP 228.A OD1 no hydrogen 2.666 N/A GLY 163.A N THR 185.A O no hydrogen 2.861 N/A SER 165.A N ALA 162.A O no hydrogen 3.088 N/A SER 165.A OG ALA 162.A O no hydrogen 3.058 N/A CYS 168.A N SER 165.A OG no hydrogen 3.251 N/A CYS 168.A SG.A THR 161.A O no hydrogen 3.432 N/A CYS 168.A SG.A ALA 162.A O no hydrogen 3.128 N/A CYS 168.A SG.A SER 165.A OG no hydrogen 3.350 N/A CYS 168.A SG.A TYR 250.A OH no hydrogen 3.745 N/A CYS 168.A SG.B GLY 163.A O no hydrogen 3.070 N/A LYS 169.A N SER 165.A O no hydrogen 3.020 N/A LEU 170.A N GLN 166.A O no hydrogen 2.990 N/A ILE 171.A N LEU 167.A O no hydrogen 3.010 N/A ILE 172.A N CYS 168.A O no hydrogen 2.770 N/A GLY 173.A N LYS 169.A O no hydrogen 3.150 N/A LEU 174.A N LEU 170.A O no hydrogen 3.119 N/A ALA 175.A N ILE 171.A O no hydrogen 2.857 N/A LYS 176.A N ILE 172.A O no hydrogen 2.901 N/A LYS 176.A NZ ASP 197.A O no hydrogen 3.491 N/A GLU 177.A N GLY 173.A O no hydrogen 3.234 N/A GLU 178.A N LEU 174.A O no hydrogen 3.316 N/A GLU 178.A N ALA 175.A O no hydrogen 3.139 N/A GLY 179.A N LYS 176.A O no hydrogen 3.379 N/A PHE 180.A N ALA 175.A O no hydrogen 2.777 N/A ARG 181.A N LYS 157.A O no hydrogen 2.800 N/A ARG 181.A NE GLU 221.A OE1 no hydrogen 2.865 N/A ARG 181.A NH2 GLU 221.A OE2 no hydrogen 2.891 N/A ILE 183.A N PHE 159.A O no hydrogen 2.781 N/A VAL 184.A N HIS 202.A O no hydrogen 2.812 N/A THR 185.A OG1 GLU 206.A OE2.B no hydrogen 3.477 N/A VAL 186.A N LEU 204.A O no hydrogen 2.842 N/A GLN 191.A N ARG 188.A O no hydrogen 3.096 N/A GLN 191.A NE2 ASN 328.A OD1 no hydrogen 3.404 N/A ILE 192.A N ASP 189.A O no hydrogen 3.092 N/A LEU 195.A N GLN 191.A O no hydrogen 3.258 N/A LYS 196.A N ILE 192.A O no hydrogen 2.943 N/A ASP 197.A N ALA 193.A O no hydrogen 2.882 N/A ILE 198.A N LEU 194.A O no hydrogen 3.222 N/A GLY 199.A N LYS 196.A O no hydrogen 3.099 N/A ALA 200.A N LEU 195.A O no hydrogen 2.979 N/A ALA 201.A N PRO 182.A O no hydrogen 2.828 N/A HIS 202.A N PRO 182.A O no hydrogen 3.076 N/A HIS 202.A NE2 GLU 221.A OE2 no hydrogen 2.708 N/A LEU 204.A N VAL 184.A O no hydrogen 2.779 N/A ASN 205.A ND2 ASP 189.A OD1 no hydrogen 2.790 N/A GLU 206.A N VAL 186.A O no hydrogen 2.984 N/A LYS 207.A N ASN 205.A OD1 no hydrogen 2.986 N/A ALA 208.A N ASN 205.A O no hydrogen 3.127 N/A PHE 211.A N ALA 208.A O no hydrogen 3.180 N/A THR 214.A N ASP 210.A O no hydrogen 2.946 N/A THR 214.A OG1 ASP 210.A O no hydrogen 3.083 N/A LEU 215.A N PHE 211.A O no hydrogen 2.738 N/A ARG 216.A N GLU 212.A O no hydrogen 2.965 N/A ARG 216.A NH2.A ASN 240.A OD1 no hydrogen 2.614 N/A GLU 217.A N ALA 213.A O no hydrogen 3.132 N/A VAL 218.A N THR 214.A O no hydrogen 2.915 N/A ALA 220.A N GLU 217.A O no hydrogen 3.019 N/A GLU 221.A N VAL 218.A O no hydrogen 2.857 N/A ARG 224.A NE GLU 154.A OE2 no hydrogen 2.889 N/A ARG 224.A NH1 GLU 156.A OE1 no hydrogen 2.678 N/A ARG 224.A NH2 GLU 154.A O no hydrogen 3.088 N/A PHE 226.A N ARG 246.A O no hydrogen 2.863 N/A LEU 227.A N VAL 160.A O no hydrogen 2.777 N/A ASP 228.A N ILE 248.A O no hydrogen 2.762 N/A ALA 229.A N THR 161.A OG1 no hydrogen 3.126 N/A VAL 230.A N ASP 228.A OD1 no hydrogen 2.963 N/A THR 231.A N ASP 228.A OD1 no hydrogen 2.979 N/A THR 231.A OG1 VAL 230.A O no hydrogen 2.685 N/A THR 231.A OG1 ASP 254.A O no hydrogen 3.144 N/A THR 231.A OG1 THR 258.A OG1 no hydrogen 3.310 N/A GLY 232.A N THR 258.A OG1 no hydrogen 2.795 N/A ALA 235.A N THR 231.A O no hydrogen 3.478 N/A SER 236.A N GLY 232.A O no hydrogen 2.979 N/A SER 236.A OG.A VAL 259.A O no hydrogen 2.687 N/A SER 236.A OG.B GLY 232.A O no hydrogen 3.070 N/A SER 236.A OG.B VAL 259.A O no hydrogen 2.650 N/A ALA 237.A N PRO 233.A O no hydrogen 2.955 N/A ILE 238.A N LEU 234.A O no hydrogen 3.040 N/A PHE 239.A N ALA 235.A O no hydrogen 2.921 N/A ASN 240.A N SER 236.A O no hydrogen 3.035 N/A ALA 241.A N ALA 237.A O no hydrogen 3.107 N/A ALA 241.A N ILE 238.A O no hydrogen 3.027 N/A ARG 244.A N GLN 269.A O no hydrogen 2.715 N/A ARG 246.A N ARG 224.A O no hydrogen 2.740 N/A ARG 246.A NE GLU 274.A OE2 no hydrogen 2.914 N/A ARG 246.A NH1 GLU 154.A OE1 no hydrogen 3.310 N/A ARG 246.A NH2 GLU 274.A OE1 no hydrogen 3.037 N/A ARG 246.A NH2 GLU 274.A OE2 no hydrogen 3.325 N/A TRP 247.A N HIS 272.A O no hydrogen 2.879 N/A TRP 247.A NE1 ASP 228.A OD2 no hydrogen 2.755 N/A ILE 248.A N PHE 226.A O no hydrogen 2.728 N/A ILE 249.A N GLU 274.A O no hydrogen 2.845 N/A TYR 250.A N ASP 228.A O no hydrogen 2.862 N/A LEU 253.A N ALA 229.A O no hydrogen 2.940 N/A ASP 254.A N VAL 230.A O no hydrogen 2.818 N/A ASP 256.A N ASP 254.A OD1 no hydrogen 2.886 N/A VAL 259.A N SER 236.A OG.B no hydrogen 2.981 N/A ARG 261.A NH1.A GLU 212.A OE1 no hydrogen 3.068 N/A ARG 261.A NH1.B GLU 212.A OE1 no hydrogen 3.095 N/A ARG 261.A NH2.A GLU 212.A OE2 no hydrogen 2.892 N/A ARG 261.A NH2.B GLU 212.A OE2 no hydrogen 2.918 N/A GLN 265.A N GLU 262.A O no hydrogen 2.866 N/A GLN 265.A NE2 ASN 240.A O no hydrogen 3.168 N/A LEU 266.A N PRO 263.A O no hydrogen 2.881 N/A PHE 268.A N GLY 264.A O no hydrogen 2.821 N/A GLN 269.A N GLN 265.A O no hydrogen 3.005 N/A LYS 271.A N GLN 265.A O no hydrogen 3.350 N/A LYS 271.A NZ PHE 239.A O no hydrogen 2.754 N/A LYS 271.A NZ GLN 265.A OE1 no hydrogen 2.739 N/A HIS 272.A N ALA 245.A O no hydrogen 2.884 N/A GLU 274.A N TRP 247.A O no hydrogen 2.801 N/A PHE 276.A N ILE 249.A O no hydrogen 2.889 N/A TRP 281.A N TRP 277.A O no hydrogen 2.932 N/A ARG 282.A NE.A GLU 280.A OE1 no hydrogen 2.956 N/A ARG 282.A NH1.B GLU 280.A OE1 no hydrogen 2.856 N/A ARG 282.A NH2.A GLU 280.A OE1 no hydrogen 3.145 N/A GLN 283.A N GLU 280.A O no hydrogen 2.886 N/A GLN 283.A NE2 GLU 280.A OE2 no hydrogen 2.779 N/A PHE 284.A N TRP 281.A O no hydrogen 2.776 N/A LYS 285.A NZ ARG 282.A O no hydrogen 2.816 N/A GLU 286.A N GLU 286.A OE1 no hydrogen 2.846 N/A ARG 287.A N PHE 284.A O no hydrogen 2.719 N/A ARG 288.A N PHE 284.A O no hydrogen 3.146 N/A ARG 288.A N LYS 285.A O no hydrogen 3.214 N/A ARG 288.A NH1 ALA 122.A O no hydrogen 3.320 N/A ARG 288.A NH2 ALA 122.A O no hydrogen 2.814 N/A ALA 291.A N ARG 287.A O no hydrogen 3.021 N/A ILE 292.A N ARG 288.A O no hydrogen 2.934 N/A LEU 293.A N GLY 289.A O no hydrogen 2.874 N/A GLU 294.A N PRO 290.A O no hydrogen 2.808 N/A ALA 295.A N ALA 291.A O no hydrogen 2.834 N/A GLN 296.A N ILE 292.A O no hydrogen 3.032 N/A GLN 296.A OE1.C PRO 126.A O no hydrogen 3.201 N/A LYS 297.A N LEU 293.A O no hydrogen 2.928 N/A ARG 298.A N GLU 294.A O no hydrogen 3.004 N/A ARG 298.A NE.B GLU 294.A OE2 no hydrogen 2.637 N/A ARG 298.A NH1.A GLU 177.A OE1 no hydrogen 2.981 N/A ARG 298.A NH1.A GLU 177.A OE2 no hydrogen 3.020 N/A ARG 298.A NH1.B GLU 177.A OE1 no hydrogen 3.096 N/A ARG 298.A NH1.B GLU 177.A OE2 no hydrogen 2.854 N/A ARG 298.A NH2.A GLU 177.A OE2 no hydrogen 2.565 N/A ARG 298.A NH2.B GLU 177.A OE1 no hydrogen 2.960 N/A PHE 299.A N ALA 295.A O no hydrogen 3.142 N/A SER 300.A N GLN 296.A O no hydrogen 2.690 N/A SER 300.A OG.B GLN 296.A O no hydrogen 2.644 N/A ASP 301.A N LYS 297.A O no hydrogen 2.709 N/A ARG 303.A N ASP 301.A OD1 no hydrogen 3.310 N/A ARG 303.A NE ASP 301.A OD1 no hydrogen 2.937 N/A ARG 303.A NE ASP 301.A OD2 no hydrogen 3.361 N/A ARG 303.A NH2 ASP 301.A OD2 no hydrogen 2.774 N/A TRP 304.A N ARG 298.A O no hydrogen 2.708 N/A SER 305.A OG.B TRP 304.A O no hydrogen 2.973 N/A THR 306.A N ASP 135.A OD1 no hydrogen 3.236 N/A THR 306.A OG1 ASP 135.A OD1 no hydrogen 3.229 N/A THR 308.A N LYS 330.A O no hydrogen 2.917 N/A THR 308.A OG1 LYS 330.A O no hydrogen 3.420 N/A VAL 311.A N PHE 332.A O no hydrogen 2.732 N/A LEU 313.A N ARG 334.A O no hydrogen 2.897 N/A GLU 315.A N PRO 312.A O no hydrogen 2.874 N/A ALA 316.A N LEU 313.A O no hydrogen 3.155 N/A TRP 319.A N GLU 315.A O no hydrogen 2.907 N/A VAL 320.A N ALA 316.A O no hydrogen 2.973 N/A GLU 323.A N TRP 319.A O no hydrogen 3.156 N/A LEU 324.A N VAL 320.A O no hydrogen 2.857 N/A THR 325.A N PRO 321.A O no hydrogen 3.309 N/A THR 325.A OG1 ALA 322.A O no hydrogen 2.712 N/A LYS 326.A N GLU 323.A O no hydrogen 3.329 N/A LYS 326.A NZ GLU 323.A OE1 no hydrogen 2.952 N/A LYS 326.A NZ GLU 323.A OE2 no hydrogen 3.440 N/A LYS 330.A NZ ASN 55.A OD1 no hydrogen 2.758 N/A LYS 330.A NZ GLU 79.A OE2 no hydrogen 3.353 N/A PHE 332.A N ALA 309.A O no hydrogen 2.861 N/A ILE 333.A N ALA 52.A O no hydrogen 2.834 N/A ARG 334.A N VAL 311.A O no hydrogen 2.838 N/A