Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pt1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A N GLU 77.A OE1 no hydrogen 2.937 N/A THR 6.A N GLU 77.A OE2 no hydrogen 3.230 N/A THR 6.A OG1 GLU 77.A OE2 no hydrogen 2.646 N/A ARG 8.A NE ASN 73.A OD1 no hydrogen 2.617 N/A ARG 8.A NH2 GLU 69.A O no hydrogen 3.268 N/A ARG 8.A NH2 GLU 69.A OE1 no hydrogen 2.841 N/A ARG 8.A NH2 ASN 73.A OD1 no hydrogen 2.870 N/A ASP 11.A N GLY 7.A O no hydrogen 2.893 N/A ALA 12.A N ARG 8.A O no hydrogen 3.127 N/A ALA 13.A N MET 10.A O no hydrogen 3.323 N/A VAL 16.A N ALA 12.A O no hydrogen 2.920 N/A ASP 17.A N ALA 13.A O no hydrogen 2.880 N/A HIS 18.A N LYS 14.A O no hydrogen 2.920 N/A THR 19.A N GLU 15.A O no hydrogen 3.236 N/A THR 19.A OG1 VAL 16.A O no hydrogen 3.089 N/A CYS 20.A N VAL 16.A O no hydrogen 2.923 N/A CYS 20.A SG VAL 16.A O no hydrogen 3.422 N/A ARG 21.A N ASP 17.A O no hydrogen 2.819 N/A ARG 21.A NE ASP 17.A OD1 no hydrogen 3.073 N/A ARG 21.A NE ASP 17.A OD2 no hydrogen 3.128 N/A ARG 21.A NH2 ASP 17.A OD2 no hydrogen 3.292 N/A SER 22.A N HIS 18.A O no hydrogen 3.277 N/A SER 22.A OG HIS 18.A O no hydrogen 3.360 N/A SER 22.A OG THR 19.A O no hydrogen 3.048 N/A SER 23.A N THR 19.A O no hydrogen 3.077 N/A THR 24.A N CYS 20.A O no hydrogen 3.053 N/A THR 24.A OG1 CYS 20.A O no hydrogen 2.664 N/A GLY 25.A N ARG 21.A O no hydrogen 3.033 N/A HIS 32.A N ARG 28.A O no hydrogen 3.243 N/A HIS 32.A ND1.B ASP 124.A OD2 no hydrogen 2.657 N/A HIS 32.A NE2.A ASP 129.A OD1 no hydrogen 3.180 N/A TYR 34.A N MET 30.A O no hydrogen 2.818 N/A TYR 34.A OH GLN 106.A OE1 no hydrogen 3.160 N/A TYR 34.A OH TYR 116.A OH no hydrogen 2.557 N/A ALA 35.A N LEU 31.A O no hydrogen 2.788 N/A GLU 36.A N HIS 32.A O no hydrogen 2.812 N/A GLY 37.A N TYR 34.A O no hydrogen 3.035 N/A GLN 38.A N ARG 33.A O no hydrogen 2.848 N/A PHE 45.A N ASP 42.A OD2 no hydrogen 3.206 N/A LYS 46.A N ASP 42.A O no hydrogen 3.137 N/A LYS 46.A NZ GLU 99.A OE1 no hydrogen 2.630 N/A LYS 46.A NZ GLU 99.A OE2 no hydrogen 3.553 N/A CYS 47.A N ASP 43.A O no hydrogen 3.258 N/A CYS 47.A SG ASP 43.A O no hydrogen 3.676 N/A TYR 48.A N ASP 44.A O no hydrogen 2.928 N/A TYR 48.A OH ASP 17.A OD1 no hydrogen 2.674 N/A LEU 49.A N PHE 45.A O no hydrogen 3.047 N/A LYS 50.A N LYS 46.A O no hydrogen 2.975 N/A LYS 50.A NZ ASP 61.A O no hydrogen 3.330 N/A LYS 50.A NZ ASP 61.A OD1 no hydrogen 2.650 N/A CYS 51.A N CYS 47.A O no hydrogen 2.807 N/A ILE 52.A N TYR 48.A O no hydrogen 3.040 N/A MET 53.A N LEU 49.A O no hydrogen 3.051 N/A VAL 54.A N LYS 50.A O no hydrogen 2.928 N/A GLU 55.A N CYS 51.A O no hydrogen 2.964 N/A PHE 56.A N ILE 52.A O no hydrogen 3.004 N/A ASN 57.A N VAL 54.A O no hydrogen 3.180 N/A SER 58.A N MET 53.A O no hydrogen 3.000 N/A SER 58.A OG MET 53.A O no hydrogen 3.297 N/A SER 58.A OG GLU 70.A OE1 no hydrogen 2.855 N/A LEU 59.A N MET 53.A O no hydrogen 3.363 N/A SER 60.A N VAL 64.A O no hydrogen 2.921 N/A SER 60.A OG ASP 62.A OD1 no hydrogen 2.617 N/A GLY 63.A N SER 60.A O no hydrogen 2.854 N/A VAL 64.A N SER 60.A OG no hydrogen 2.544 N/A VAL 66.A N SER 58.A O no hydrogen 2.869 N/A GLU 70.A N VAL 66.A O no hydrogen 3.197 N/A LEU 71.A N LEU 67.A O no hydrogen 2.988 N/A GLU 72.A N GLU 68.A O no hydrogen 3.174 N/A ASN 73.A N GLU 69.A O no hydrogen 2.980 N/A ASN 73.A ND2 PHE 56.A O no hydrogen 2.988 N/A ASN 73.A ND2 GLU 70.A OE1 no hydrogen 3.059 N/A VAL 74.A N LEU 71.A O no hydrogen 3.287 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.802 N/A ILE 78.A N PRO 75.A O no hydrogen 3.095 N/A LYS 79.A N PRO 76.A O no hydrogen 3.485 N/A LYS 79.A NZ LEU 71.A O no hydrogen 2.877 N/A LYS 79.A NZ GLU 72.A O no hydrogen 3.395 N/A LYS 79.A NZ VAL 74.A O no hydrogen 3.062 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.750 N/A GLY 82.A N ILE 78.A O no hydrogen 2.758 N/A HIS 83.A N LYS 79.A O no hydrogen 2.866 N/A ARG 84.A N GLU 80.A O no hydrogen 3.156 N/A VAL 85.A N GLU 81.A O no hydrogen 3.196 N/A VAL 86.A N GLY 82.A O no hydrogen 2.942 N/A HIS 87.A N HIS 83.A O no hydrogen 2.917 N/A SER 88.A N ARG 84.A O no hydrogen 3.065 N/A SER 88.A OG VAL 85.A O no hydrogen 2.834 N/A SER 88.A OG SER 111.A OG no hydrogen 2.899 N/A CYS 89.A N VAL 86.A O no hydrogen 3.107 N/A CYS 89.A SG VAL 85.A O no hydrogen 3.480 N/A CYS 89.A SG SER 88.A OG no hydrogen 3.569 N/A LYS 90.A NZ HIS 87.A ND1 no hydrogen 2.898 N/A ILE 92.A N CYS 89.A O no hydrogen 3.467 N/A ASN 93.A ND2 GLY 63.A O no hydrogen 3.565 N/A HIS 94.A N THR 100.A OG1 no hydrogen 2.726 N/A CYS 98.A N GLU 96.A OE1 no hydrogen 2.726 N/A GLU 99.A N GLU 96.A OE2 no hydrogen 3.063 N/A THR 100.A N GLU 96.A O no hydrogen 2.965 N/A THR 100.A OG1 GLU 96.A O no hydrogen 3.336 N/A ALA 101.A N ALA 97.A O no hydrogen 3.148 N/A TYR 102.A N CYS 98.A O no hydrogen 3.019 N/A GLN 103.A N GLU 99.A O no hydrogen 2.930 N/A GLN 103.A NE2 GLU 99.A OE2 no hydrogen 2.987 N/A ILE 104.A N THR 100.A O no hydrogen 2.823 N/A HIS 105.A N ALA 101.A O no hydrogen 3.025 N/A HIS 105.A ND1 TYR 116.A OH no hydrogen 2.662 N/A GLN 106.A N TYR 102.A O no hydrogen 2.863 N/A CYS 107.A N GLN 103.A O no hydrogen 2.887 N/A CYS 107.A SG SER 88.A O no hydrogen 4.037 N/A TYR 108.A N ILE 104.A O no hydrogen 2.903 N/A TYR 108.A OH GLU 70.A OE2 no hydrogen 2.597 N/A LYS 109.A N HIS 105.A O no hydrogen 3.010 N/A GLN 110.A N GLN 106.A O no hydrogen 2.899 N/A SER 111.A N CYS 107.A O no hydrogen 2.875 N/A SER 111.A OG SER 88.A OG no hydrogen 2.899 N/A ASP 112.A N TYR 108.A O no hydrogen 3.128 N/A LEU 115.A N ASP 112.A OD1 no hydrogen 3.250 N/A TYR 116.A N ASP 112.A O no hydrogen 2.923 N/A TYR 116.A OH TYR 34.A OH no hydrogen 2.557 N/A TYR 116.A OH HIS 105.A ND1 no hydrogen 2.662 N/A SER 117.A N PRO 113.A O no hydrogen 2.909 N/A LEU 118.A N GLU 114.A O no hydrogen 3.039 N/A VAL 119.A N LEU 115.A O no hydrogen 3.025 N/A VAL 120.A N TYR 116.A O no hydrogen 3.027 N/A ARG 121.A N SER 117.A O no hydrogen 3.096 N/A ALA 122.A N LEU 118.A O no hydrogen 3.212 N/A PHE 123.A N VAL 119.A O no hydrogen 2.987 N/A ASP 124.A N VAL 120.A O no hydrogen 3.082 N/A ALA 125.A N ARG 121.A O no hydrogen 3.162 N/A THR 126.A N PHE 123.A O no hydrogen 3.053 N/A THR 126.A OG1 ALA 122.A O no hydrogen 2.583 N/A THR 126.A OG1 PHE 123.A O no hydrogen 3.358 N/A