Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jag_gg.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N THR 312.A O no hydrogen 2.928 N/A GLN 3.A NE2 ASP 267.A OD1 no hydrogen 3.293 N/A LEU 10.A N VAL 306.A O no hydrogen 2.718 N/A HIS 13.A N LYS 11.A O no hydrogen 2.768 N/A HIS 13.A ND1 SER 34.A OG no hydrogen 2.794 N/A HIS 13.A NE2 SER 32.A OG no hydrogen 2.736 N/A ASN 14.A N ASP 36.A OD2 no hydrogen 3.405 N/A THR 18.A OG1 VAL 65.A O no hydrogen 2.454 N/A GLN 19.A NE2 ASP 67.A OD1 no hydrogen 3.529 N/A GLN 19.A NE2 ASP 67.A OD2 no hydrogen 3.173 N/A ILE 20.A N GLN 19.A OE1 no hydrogen 2.710 N/A ALA 21.A N LEU 31.A O no hydrogen 2.738 N/A THR 22.A OG1 TRP 290.A O no hydrogen 2.993 N/A LEU 31.A N ALA 21.A O no hydrogen 3.042 N/A SER 32.A N ILE 40.A O no hydrogen 2.877 N/A SER 32.A OG HIS 13.A NE2 no hydrogen 2.736 N/A ALA 33.A N GLN 19.A O no hydrogen 2.764 N/A SER 34.A OG HIS 13.A ND1 no hydrogen 2.794 N/A SER 34.A OG TRP 16.A O no hydrogen 3.467 N/A SER 34.A OG ASP 36.A OD1 no hydrogen 2.638 N/A ARG 35.A N TRP 16.A O no hydrogen 2.699 N/A THR 38.A OG1 ASP 36.A OD1 no hydrogen 2.831 N/A THR 38.A OG1 ASP 36.A OD2 no hydrogen 3.435 N/A ILE 39.A N LEU 58.A O no hydrogen 2.990 N/A ILE 40.A N SER 32.A O no hydrogen 2.755 N/A MET 41.A N ARG 56.A O no hydrogen 2.718 N/A TRP 42.A N ILE 30.A O no hydrogen 2.879 N/A TRP 42.A NE1 SER 32.A OG no hydrogen 2.748 N/A LYS 43.A N ILE 53.A O no hydrogen 2.722 N/A LYS 43.A NZ GLN 55.A OE1 no hydrogen 3.430 N/A THR 45.A OG1 ASN 50.A O no hydrogen 3.457 N/A ARG 46.A N TYR 51.A O no hydrogen 3.035 N/A THR 49.A OG1 ASP 47.A OD2 no hydrogen 3.179 N/A THR 49.A OG1 ASN 50.A OD1 no hydrogen 2.942 N/A ILE 53.A N LYS 43.A O no hydrogen 2.859 N/A GLN 55.A N MET 41.A O no hydrogen 2.756 N/A ARG 56.A N MET 41.A O no hydrogen 3.064 N/A LEU 58.A N ILE 39.A O no hydrogen 2.920 N/A HIS 61.A N ARG 59.A O no hydrogen 2.834 N/A HIS 61.A ND1 ASP 83.A OD2 no hydrogen 2.746 N/A HIS 61.A NE2 SER 79.A OG no hydrogen 2.741 N/A VAL 65.A N SER 34.A O no hydrogen 2.743 N/A SER 66.A OG GLY 80.A O no hydrogen 3.156 N/A SER 66.A OG VAL 107.A O no hydrogen 2.783 N/A SER 66.A OG LEU 108.A O no hydrogen 2.782 N/A ASP 67.A N GLY 80.A O no hydrogen 3.053 N/A VAL 69.A N LEU 78.A O no hydrogen 2.758 N/A SER 71.A N PHE 76.A O no hydrogen 3.078 N/A SER 71.A OG PHE 76.A O no hydrogen 2.678 N/A SER 72.A N ASN 116.A OD1 no hydrogen 3.086 N/A GLY 74.A N SER 71.A O no hydrogen 3.115 N/A ALA 77.A N TRP 89.A O no hydrogen 2.718 N/A LEU 78.A N VAL 69.A O no hydrogen 2.745 N/A SER 79.A N ARG 87.A O no hydrogen 2.986 N/A SER 79.A OG HIS 61.A NE2 no hydrogen 2.741 N/A SER 79.A OG ARG 87.A O no hydrogen 3.526 N/A GLY 80.A N ASP 67.A O no hydrogen 2.685 N/A SER 81.A N THR 85.A O no hydrogen 3.347 N/A SER 81.A OG HIS 63.A O no hydrogen 2.968 N/A SER 81.A OG PHE 64.A O no hydrogen 2.880 N/A TRP 82.A N PHE 64.A O no hydrogen 3.208 N/A ASP 83.A N SER 81.A OG no hydrogen 3.378 N/A GLY 84.A N SER 81.A O no hydrogen 3.395 N/A THR 85.A N ASP 83.A OD1 no hydrogen 2.840 N/A THR 85.A OG1 ASP 83.A OD2 no hydrogen 2.759 N/A LEU 86.A N PHE 100.A O no hydrogen 3.298 N/A ARG 87.A N SER 79.A O no hydrogen 2.967 N/A LEU 88.A N ARG 98.A O no hydrogen 2.864 N/A TRP 89.A N ALA 77.A O no hydrogen 2.580 N/A TRP 89.A NE1 SER 79.A OG no hydrogen 2.712 N/A ASP 90.A N THR 95.A O no hydrogen 3.167 N/A LEU 91.A N GLN 75.A O no hydrogen 2.835 N/A THR 92.A OG1 ASP 90.A OD1 no hydrogen 3.016 N/A THR 92.A OG1 ASP 90.A OD2 no hydrogen 2.699 N/A THR 93.A OG1 ASP 90.A O no hydrogen 3.338 N/A THR 93.A OG1 ASP 90.A OD2 no hydrogen 2.799 N/A GLY 94.A N ASP 90.A O no hydrogen 3.054 N/A THR 97.A N LEU 88.A O no hydrogen 3.267 N/A THR 97.A OG1 LEU 88.A O no hydrogen 2.668 N/A ARG 98.A NE LEU 134.A O no hydrogen 2.885 N/A PHE 100.A N LEU 86.A O no hydrogen 2.857 N/A HIS 103.A ND1 ASP 125.A OD2 no hydrogen 2.817 N/A HIS 103.A NE2 SER 121.A OG no hydrogen 2.759 N/A VAL 107.A N SER 81.A O no hydrogen 3.174 N/A LEU 108.A N GLY 122.A O no hydrogen 2.896 N/A SER 109.A N GLY 122.A O no hydrogen 3.490 N/A SER 109.A OG ASP 67.A OD2 no hydrogen 3.230 N/A ALA 111.A N VAL 120.A O no hydrogen 2.495 N/A SER 113.A N GLN 118.A O no hydrogen 3.158 N/A ASN 116.A N SER 113.A O no hydrogen 3.368 N/A ARG 117.A NE ARG 117.A O no hydrogen 3.389 N/A GLN 118.A NE2 TRP 131.A O no hydrogen 3.016 N/A ILE 119.A N TRP 131.A O no hydrogen 2.976 N/A VAL 120.A N ALA 111.A O no hydrogen 2.840 N/A SER 121.A N LYS 129.A O no hydrogen 2.880 N/A SER 121.A OG HIS 103.A NE2 no hydrogen 2.759 N/A GLY 122.A N SER 109.A O no hydrogen 2.796 N/A SER 123.A OG ASP 106.A O no hydrogen 2.656 N/A ARG 124.A N ASP 106.A O no hydrogen 3.002 N/A ASP 125.A N SER 123.A OG no hydrogen 3.336 N/A LYS 126.A N SER 123.A O no hydrogen 3.252 N/A THR 127.A N ASP 125.A OD1 no hydrogen 2.862 N/A THR 127.A OG1 ASP 125.A OD1 no hydrogen 2.940 N/A THR 127.A OG1 ASP 125.A OD2 no hydrogen 2.861 N/A LYS 129.A N SER 121.A O no hydrogen 2.905 N/A LEU 130.A N TYR 139.A O no hydrogen 2.889 N/A TRP 131.A N ILE 119.A O no hydrogen 2.647 N/A TRP 131.A NE1 SER 121.A OG no hydrogen 2.663 N/A ASN 132.A N VAL 136.A O no hydrogen 3.169 N/A GLY 135.A N ASN 132.A O no hydrogen 3.427 N/A CYS 137.A SG LEU 130.A O no hydrogen 3.923 N/A CYS 137.A SG THR 140.A OG1 no hydrogen 3.640 N/A LYS 138.A N LEU 130.A O no hydrogen 2.701 N/A TYR 139.A N LEU 130.A O no hydrogen 3.151 N/A VAL 141.A N ILE 128.A O no hydrogen 2.751 N/A HIS 146.A ND1 ASP 170.A OD1 no hydrogen 3.130 N/A HIS 146.A NE2 SER 166.A OG no hydrogen 3.049 N/A SER 147.A N ASP 170.A OD2 no hydrogen 3.084 N/A SER 147.A OG ASP 170.A OD2 no hydrogen 3.274 N/A VAL 150.A N SER 123.A O no hydrogen 3.094 N/A SER 151.A OG LEU 194.A O no hydrogen 2.603 N/A SER 151.A OG ASN 195.A O no hydrogen 3.188 N/A CYS 152.A SG VAL 197.A O no hydrogen 3.324 N/A ARG 154.A N VAL 165.A O no hydrogen 2.783 N/A SER 156.A N ILE 163.A O no hydrogen 3.266 N/A SER 156.A OG ILE 163.A O no hydrogen 2.644 N/A SER 160.A N ASN 158.A O no hydrogen 2.717 N/A ILE 164.A N TRP 176.A O no hydrogen 2.755 N/A VAL 165.A N ARG 154.A O no hydrogen 2.916 N/A SER 166.A N LYS 174.A O no hydrogen 2.891 N/A SER 166.A OG HIS 146.A NE2 no hydrogen 3.049 N/A SER 166.A OG LYS 174.A O no hydrogen 3.404 N/A CYS 167.A N CYS 152.A O no hydrogen 3.003 N/A CYS 167.A SG SER 151.A OG no hydrogen 2.863 N/A CYS 167.A SG CYS 152.A O no hydrogen 3.733 N/A CYS 167.A SG LEU 194.A O no hydrogen 3.694 N/A TRP 169.A N TRP 149.A O no hydrogen 2.744 N/A VAL 173.A N HIS 187.A O no hydrogen 3.266 N/A LYS 174.A NZ SER 145.A O no hydrogen 3.119 N/A VAL 175.A N THR 185.A O no hydrogen 2.752 N/A TRP 176.A N ILE 164.A O no hydrogen 2.809 N/A TRP 176.A NE1 SER 166.A OG no hydrogen 2.760 N/A ASN 177.A N LYS 182.A O no hydrogen 3.154 N/A ASN 177.A ND2 ASN 161.A OD1 no hydrogen 2.749 N/A LEU 178.A N PRO 162.A O no hydrogen 2.880 N/A CYS 181.A N ASN 177.A O no hydrogen 2.962 N/A CYS 181.A SG LEU 178.A O no hydrogen 3.310 N/A CYS 181.A SG ALA 179.A O no hydrogen 4.048 N/A LYS 184.A N VAL 175.A O no hydrogen 2.753 N/A THR 185.A N VAL 175.A O no hydrogen 3.375 N/A THR 185.A OG1 ASN 186.A O no hydrogen 3.074 N/A THR 185.A OG1 HIS 187.A NE2 no hydrogen 3.355 N/A HIS 187.A N VAL 173.A O no hydrogen 2.881 N/A HIS 190.A NE2 SER 208.A OG no hydrogen 2.740 N/A LEU 194.A N GLY 168.A O no hydrogen 3.375 N/A THR 196.A N GLY 209.A O no hydrogen 3.222 N/A THR 198.A N ALA 207.A O no hydrogen 3.007 N/A SER 200.A N LEU 205.A O no hydrogen 2.853 N/A SER 200.A OG LEU 205.A O no hydrogen 3.209 N/A GLY 203.A N SER 200.A OG no hydrogen 3.102 N/A SER 204.A N SER 200.A OG no hydrogen 2.991 N/A CYS 206.A N TRP 218.A O no hydrogen 2.787 N/A CYS 206.A SG SER 204.A O no hydrogen 3.818 N/A ALA 207.A N THR 198.A O no hydrogen 2.846 N/A SER 208.A OG HIS 190.A NE2 no hydrogen 2.740 N/A SER 208.A OG MET 216.A O no hydrogen 2.995 N/A GLY 209.A N THR 196.A O no hydrogen 2.997 N/A LYS 211.A N TYR 193.A O no hydrogen 2.990 N/A GLN 214.A NE2 ASP 212.A OD2 no hydrogen 3.423 N/A ALA 215.A N LEU 229.A O no hydrogen 2.762 N/A LEU 217.A N TYR 227.A O no hydrogen 2.932 N/A TRP 218.A N CYS 206.A O no hydrogen 2.833 N/A TRP 218.A NE1 SER 208.A OG no hydrogen 2.722 N/A ASP 219.A N LYS 224.A O no hydrogen 2.725 N/A LEU 220.A N SER 204.A O no hydrogen 2.783 N/A GLU 222.A N ASP 219.A OD2 no hydrogen 3.018 N/A HIS 225.A NE2 THR 228.A OG1 no hydrogen 2.952 N/A LEU 226.A N LEU 217.A O no hydrogen 2.992 N/A THR 228.A OG1 HIS 225.A NE2 no hydrogen 2.952 N/A LEU 229.A N ALA 215.A O no hydrogen 3.318 N/A ASP 230.A N ASP 230.A OD1 no hydrogen 2.678 N/A GLY 231.A N GLY 213.A O no hydrogen 2.747 N/A ILE 235.A N GLY 210.A O no hydrogen 2.852 N/A ASN 236.A N ALA 250.A O no hydrogen 3.002 N/A ASN 236.A ND2 GLN 284.A OE1 no hydrogen 3.073 N/A ASN 236.A ND2 CYS 285.A O no hydrogen 3.050 N/A CYS 239.A N CYS 248.A O no hydrogen 2.728 N/A CYS 239.A SG PHE 240.A O no hydrogen 3.926 N/A SER 241.A N TRP 246.A O no hydrogen 3.228 N/A SER 241.A OG ASN 243.A OD1 no hydrogen 3.166 N/A ARG 244.A NE GLU 2.A OE2 no hydrogen 2.839 N/A ARG 244.A NH1 GLY 294.A O no hydrogen 2.749 N/A LEU 247.A N TRP 258.A O no hydrogen 2.966 N/A CYS 248.A N CYS 239.A O no hydrogen 2.733 N/A CYS 248.A SG LYS 256.A O no hydrogen 3.752 N/A ALA 249.A N LYS 256.A O no hydrogen 2.661 N/A ALA 250.A N ALA 237.A O no hydrogen 2.883 N/A THR 251.A N SER 254.A O no hydrogen 2.842 N/A THR 251.A OG1 SER 254.A O no hydrogen 2.575 N/A SER 254.A OG THR 251.A OG1 no hydrogen 3.407 N/A SER 254.A OG GLU 268.A OE2 no hydrogen 2.791 N/A LYS 256.A N ALA 249.A O no hydrogen 2.715 N/A LYS 256.A NZ GLY 231.A O no hydrogen 2.755 N/A ILE 257.A N ASP 267.A O no hydrogen 3.251 N/A TRP 258.A N LEU 247.A O no hydrogen 3.120 N/A ASP 259.A N ILE 264.A O no hydrogen 3.045 N/A LEU 260.A N TYR 245.A O no hydrogen 3.017 N/A VAL 266.A N ILE 257.A O no hydrogen 2.840 N/A LEU 269.A N ILE 255.A O no hydrogen 2.838 N/A SER 275.A OG ILE 274.A O no hydrogen 2.600 N/A THR 276.A N ILE 274.A O no hydrogen 2.765 N/A LYS 279.A N SER 277.A O no hydrogen 3.276 N/A CYS 285.A SG SER 287.A O no hydrogen 3.779 N/A CYS 285.A SG GLY 300.A O no hydrogen 3.145 N/A THR 286.A N GLY 300.A O no hydrogen 2.870 N/A SER 287.A N GLY 300.A O no hydrogen 3.355 N/A SER 287.A OG VAL 17.A O no hydrogen 3.011 N/A ALA 289.A N PHE 298.A O no hydrogen 2.793 N/A SER 291.A N THR 296.A O no hydrogen 2.740 N/A GLY 294.A N SER 291.A O no hydrogen 3.054 N/A LEU 297.A N TRP 309.A O no hydrogen 2.912 N/A PHE 298.A N ALA 289.A O no hydrogen 2.751 N/A ALA 299.A N ARG 307.A O no hydrogen 2.724 N/A GLY 300.A N SER 287.A O no hydrogen 2.615 N/A TYR 301.A N LEU 305.A O no hydrogen 2.938 N/A TYR 301.A OH GLN 271.A OE1 no hydrogen 2.964 N/A THR 302.A N GLN 284.A O no hydrogen 2.837 N/A THR 302.A OG1 GLN 284.A O no hydrogen 2.549 N/A VAL 306.A N LEU 10.A O no hydrogen 3.191 N/A ARG 307.A N ALA 299.A O no hydrogen 2.867 N/A ARG 307.A NH2 ASP 303.A OD2 no hydrogen 3.434 N/A VAL 308.A N GLY 8.A O no hydrogen 3.432 N/A TRP 309.A N LEU 297.A O no hydrogen 2.774 N/A GLN 310.A N THR 5.A O no hydrogen 3.333 N/A VAL 311.A N GLN 295.A O no hydrogen 2.898 N/A THR 312.A N GLN 3.A O no hydrogen 3.311 N/A THR 312.A OG1 GLN 3.A O no hydrogen 2.679 N/A