Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pi1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 THR 1.A O no hydrogen 2.506 N/A LEU 3.A N THR 1.A OG1 no hydrogen 2.993 N/A THR 4.A N GLN 7.A OE1 no hydrogen 3.030 N/A LYS 8.A N THR 4.A O no hydrogen 3.051 N/A LYS 8.A NZ LEU 80.A O no hydrogen 3.110 N/A LYS 8.A NZ ASP 81.A OD1 no hydrogen 2.754 N/A ALA 9.A N ASN 5.A O no hydrogen 2.864 N/A ALA 10.A N PRO 6.A O no hydrogen 2.829 N/A ILE 11.A N GLN 7.A O no hydrogen 3.049 N/A ARG 12.A N LYS 8.A O no hydrogen 3.051 N/A SER 13.A N ALA 9.A O no hydrogen 2.986 N/A SER 14.A N ALA 10.A O no hydrogen 3.000 N/A SER 14.A OG ALA 10.A O no hydrogen 2.742 N/A SER 14.A OG ILE 11.A O no hydrogen 3.210 N/A TRP 15.A N ILE 11.A O no hydrogen 2.992 N/A TRP 15.A NE1 SER 74.A OG no hydrogen 2.903 N/A SER 16.A N ARG 12.A O no hydrogen 2.965 N/A LYS 17.A N SER 13.A O no hydrogen 3.213 N/A LYS 17.A NZ SER 13.A OG no hydrogen 3.104 N/A PHE 18.A N SER 14.A O no hydrogen 3.131 N/A MET 19.A N TRP 15.A O no hydrogen 2.887 N/A ASP 20.A N LYS 17.A O no hydrogen 3.215 N/A ASN 21.A N PHE 18.A O no hydrogen 3.239 N/A ASN 25.A N ASN 21.A O no hydrogen 2.790 N/A ASN 25.A ND2 PHE 18.A O no hydrogen 2.791 N/A GLY 26.A N GLY 22.A O no hydrogen 2.837 N/A GLN 27.A N VAL 23.A O no hydrogen 3.169 N/A GLN 27.A NE2 ASP 58.A OD1 no hydrogen 3.261 N/A GLY 28.A N SER 24.A O no hydrogen 3.101 N/A PHE 29.A N ASN 25.A O no hydrogen 2.885 N/A TYR 30.A N GLY 26.A O no hydrogen 3.050 N/A MET 31.A N GLN 27.A O no hydrogen 2.999 N/A ASP 32.A N GLY 28.A O no hydrogen 3.131 N/A LEU 33.A N PHE 29.A O no hydrogen 2.945 N/A PHE 34.A N TYR 30.A O no hydrogen 2.773 N/A LYS 35.A N MET 31.A O no hydrogen 2.980 N/A ALA 36.A N ASP 32.A O no hydrogen 2.888 N/A HIS 37.A N LEU 33.A O no hydrogen 2.882 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.630 N/A THR 40.A N HIS 37.A O no hydrogen 2.866 N/A THR 40.A OG1 HIS 37.A O no hydrogen 2.886 N/A LEU 41.A N PRO 38.A O no hydrogen 3.099 N/A THR 42.A N GLU 39.A O no hydrogen 3.140 N/A THR 42.A OG1 GLU 39.A O no hydrogen 3.424 N/A PHE 44.A N LEU 41.A O no hydrogen 2.901 N/A LYS 45.A N THR 42.A O no hydrogen 2.935 N/A PHE 48.A N PHE 44.A O no hydrogen 2.660 N/A GLY 49.A N LYS 45.A O no hydrogen 2.881 N/A LEU 51.A N PHE 48.A O no hydrogen 3.041 N/A THR 52.A N GLN 55.A OE1 no hydrogen 2.922 N/A GLN 55.A N THR 52.A O no hydrogen 2.850 N/A LEU 56.A N LEU 53.A O no hydrogen 3.311 N/A ASP 58.A N GLN 27.A OE1 no hydrogen 2.655 N/A ASN 59.A N LEU 56.A O no hydrogen 2.812 N/A LYS 61.A N ASN 59.A OD1 no hydrogen 2.865 N/A LYS 63.A N ASN 59.A O no hydrogen 2.955 N/A ALA 64.A N PRO 60.A O no hydrogen 2.993 N/A GLN 65.A N LYS 61.A O no hydrogen 3.015 N/A GLN 65.A NE2 TYR 30.A OH no hydrogen 2.748 N/A SER 66.A N MET 62.A O no hydrogen 2.985 N/A SER 66.A OG VAL 23.A O no hydrogen 2.725 N/A LEU 67.A N LYS 63.A O no hydrogen 3.071 N/A VAL 68.A N ALA 64.A O no hydrogen 3.032 N/A PHE 69.A N GLN 65.A O no hydrogen 2.989 N/A CYS 70.A N SER 66.A O no hydrogen 2.945 N/A CYS 70.A SG GLY 22.A O no hydrogen 3.318 N/A CYS 70.A SG SER 66.A O no hydrogen 3.354 N/A ASN 71.A N LEU 67.A O no hydrogen 2.964 N/A GLY 72.A N VAL 68.A O no hydrogen 2.925 N/A MET 73.A N PHE 69.A O no hydrogen 2.965 N/A SER 74.A N CYS 70.A O no hydrogen 2.816 N/A SER 74.A OG CYS 70.A O no hydrogen 2.887 N/A SER 75.A N ASN 71.A O no hydrogen 3.019 N/A SER 75.A OG GLY 72.A O no hydrogen 2.695 N/A PHE 76.A N GLY 72.A O no hydrogen 3.313 N/A VAL 77.A N MET 73.A O no hydrogen 3.079 N/A ASP 78.A N SER 74.A O no hydrogen 2.850 N/A HIS 79.A N PHE 76.A O no hydrogen 3.103 N/A HIS 79.A ND1 SER 75.A O no hydrogen 2.873 N/A ASP 82.A N HIS 79.A O no hydrogen 3.151 N/A ASN 83.A ND2.A HIS 79.A O no hydrogen 3.700 N/A LEU 86.A N ASP 82.A O no hydrogen 3.025 N/A VAL 87.A N ASN 83.A O no hydrogen 2.880 N/A LEU 89.A N MET 85.A O no hydrogen 3.013 N/A ILE 90.A N LEU 86.A O no hydrogen 2.917 N/A GLN 91.A N VAL 87.A O no hydrogen 2.897 N/A LYS 92.A N VAL 88.A O no hydrogen 2.891 N/A MET 93.A N LEU 89.A O no hydrogen 3.215 N/A ALA 94.A N ILE 90.A O no hydrogen 2.908 N/A LYS 95.A N GLN 91.A O no hydrogen 3.116 N/A LEU 96.A N LYS 92.A O no hydrogen 3.369 N/A HIS 97.A N MET 93.A O no hydrogen 3.202 N/A HIS 97.A ND1 MET 93.A O no hydrogen 2.987 N/A ASN 98.A N ALA 94.A O no hydrogen 2.869 N/A ASN 99.A N LYS 95.A O no hydrogen 3.009 N/A ARG 100.A N HIS 97.A O no hydrogen 2.887 N/A GLY 101.A N ASN 98.A O no hydrogen 2.866 N/A ILE 102.A N HIS 97.A O no hydrogen 3.217 N/A ARG 103.A N ASP 106.A OD2 no hydrogen 2.864 N/A ASP 106.A N ARG 103.A O no hydrogen 2.970 N/A LEU 107.A N ARG 103.A O no hydrogen 3.301 N/A LEU 107.A N ALA 104.A O no hydrogen 3.035 N/A ARG 108.A N ALA 104.A O no hydrogen 3.060 N/A ARG 108.A NH1 ASP 112.A OD1 no hydrogen 2.665 N/A ARG 108.A NH2 GLU 133.A OE2 no hydrogen 3.522 N/A THR 109.A N SER 105.A O no hydrogen 3.134 N/A THR 109.A OG1 SER 105.A O no hydrogen 3.079 N/A ALA 110.A N ASP 106.A O no hydrogen 3.320 N/A TYR 111.A N LEU 107.A O no hydrogen 2.983 N/A ASP 112.A N ARG 108.A O no hydrogen 2.950 N/A ILE 113.A N THR 109.A O no hydrogen 3.056 N/A LEU 114.A N ALA 110.A O no hydrogen 2.932 N/A ILE 115.A N TYR 111.A O no hydrogen 2.951 N/A HIS 116.A N ASP 112.A O no hydrogen 3.029 N/A TYR 117.A N ILE 113.A O no hydrogen 2.965 N/A TYR 117.A OH ASN 25.A OD1 no hydrogen 2.693 N/A MET 118.A N LEU 114.A O no hydrogen 2.946 N/A GLU 119.A N ILE 115.A O no hydrogen 2.965 N/A ASP 120.A N HIS 116.A O no hydrogen 2.843 N/A HIS 121.A N TYR 117.A O no hydrogen 2.963 N/A HIS 121.A ND1 TYR 117.A O no hydrogen 2.981 N/A ASN 122.A N GLU 119.A O no hydrogen 3.086 N/A HIS 123.A N MET 118.A O no hydrogen 2.958 N/A VAL 125.A N HIS 123.A O no hydrogen 3.010 N/A ALA 128.A N VAL 125.A O no hydrogen 2.846 N/A ALA 131.A N GLY 127.A O no hydrogen 3.210 N/A TRP 132.A N ALA 128.A O no hydrogen 2.912 N/A TRP 132.A NE1 SER 14.A OG no hydrogen 2.848 N/A GLU 133.A N LYS 129.A O no hydrogen 3.106 N/A VAL 134.A N ASP 130.A O no hydrogen 3.144 N/A PHE 135.A N ALA 131.A O no hydrogen 2.889 N/A VAL 136.A N TRP 132.A O no hydrogen 2.852 N/A GLY 137.A N GLU 133.A O no hydrogen 3.146 N/A PHE 138.A N VAL 134.A O no hydrogen 3.053 N/A ILE 139.A N PHE 135.A O no hydrogen 2.933 N/A CYS 140.A N VAL 136.A O no hydrogen 2.972 N/A CYS 140.A SG VAL 136.A O no hydrogen 3.259 N/A LYS 141.A N GLY 137.A O no hydrogen 3.054 N/A THR 142.A N PHE 138.A O no hydrogen 3.142 N/A THR 142.A OG1 PHE 138.A O no hydrogen 2.951 N/A LEU 143.A N ILE 139.A O no hydrogen 2.884 N/A GLY 144.A N CYS 140.A O no hydrogen 2.809 N/A ASP 145.A N LYS 141.A O no hydrogen 3.141 N/A TYR 146.A N THR 142.A O no hydrogen 3.167 N/A MET 147.A N LEU 143.A O no hydrogen 2.940 N/A LYS 148.A N.A GLY 144.A O no hydrogen 3.036 N/A LYS 148.A N.B GLY 144.A O no hydrogen 3.095 N/A GLU 149.A N ASP 145.A O no hydrogen 3.468 N/A LEU 150.A N MET 147.A O no hydrogen 3.127 N/A