Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xpy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N ASN 30.A OD1 no hydrogen 2.740 N/A THR 7.A OG1 GLU 10.A OE1 no hydrogen 2.722 N/A GLU 10.A N THR 7.A OG1 no hydrogen 3.138 N/A PHE 11.A N THR 7.A O no hydrogen 2.930 N/A GLY 12.A N ALA 8.A O no hydrogen 2.762 N/A THR 13.A N ASP 19.A OD1 no hydrogen 2.944 N/A THR 13.A OG1 ASP 19.A OD1 no hydrogen 2.879 N/A VAL 15.A N THR 13.A OG1 no hydrogen 3.030 N/A ASP 19.A N VAL 15.A O no hydrogen 2.977 N/A ASP 20.A N GLY 16.A O no hydrogen 2.991 N/A GLN 21.A N PHE 17.A O no hydrogen 2.939 N/A GLN 21.A NE2 SER 61.A OG no hydrogen 3.100 N/A HIS 22.A N ALA 18.A O no hydrogen 2.824 N/A HIS 22.A NE2 HIS 58.A NE2 no hydrogen 2.897 N/A LYS 23.A N ASP 19.A O no hydrogen 2.966 N/A THR 24.A N ASP 20.A O no hydrogen 3.029 N/A THR 24.A OG1 ASP 20.A O no hydrogen 3.409 N/A ILE 25.A N GLN 21.A O no hydrogen 2.918 N/A PHE 26.A N HIS 22.A O no hydrogen 2.909 N/A ASP 27.A N LYS 23.A O no hydrogen 3.018 N/A MET 28.A N THR 24.A O no hydrogen 2.869 N/A VAL 29.A N ILE 25.A O no hydrogen 2.806 N/A ASN 30.A N PHE 26.A O no hydrogen 2.906 N/A ASN 30.A ND2 MET 4.A O no hydrogen 2.968 N/A LYS 31.A N ASP 27.A O no hydrogen 3.090 N/A LEU 32.A N MET 28.A O no hydrogen 3.072 N/A HIS 33.A N VAL 29.A O no hydrogen 2.795 N/A HIS 33.A ND1 THR 107.A OG1 no hydrogen 2.770 N/A ASP 34.A N ASN 30.A O no hydrogen 3.120 N/A THR 35.A N LYS 31.A O no hydrogen 3.057 N/A THR 35.A OG1 LYS 31.A O no hydrogen 3.020 N/A ALA 36.A N LEU 32.A O no hydrogen 2.793 N/A ALA 37.A N ASP 34.A O no hydrogen 3.235 N/A THR 38.A N THR 35.A O no hydrogen 2.968 N/A THR 38.A OG1 THR 35.A O no hydrogen 2.729 N/A ASN 40.A N THR 38.A OG1 no hydrogen 2.988 N/A ARG 41.A NE GLU 101.A OE1 no hydrogen 2.811 N/A ARG 41.A NH1 PHE 95.A O no hydrogen 3.104 N/A ARG 41.A NH2 PHE 95.A O no hydrogen 2.888 N/A ARG 41.A NH2 GLU 101.A OE1 no hydrogen 3.432 N/A ILE 44.A N ASN 40.A O no hydrogen 2.896 N/A GLY 45.A N ARG 41.A O no hydrogen 2.869 N/A LYS 46.A N SER 42.A O no hydrogen 2.960 N/A GLN 47.A N GLU 43.A O no hydrogen 3.075 N/A GLN 47.A NE2 MET 28.A O no hydrogen 3.196 N/A LEU 48.A N ILE 44.A O no hydrogen 2.783 N/A ASP 49.A N GLY 45.A O no hydrogen 2.921 N/A ALA 50.A N LYS 46.A O no hydrogen 2.997 N/A LEU 51.A N GLN 47.A O no hydrogen 2.911 N/A ILE 52.A N LEU 48.A O no hydrogen 2.956 N/A ASP 53.A N ASP 49.A O no hydrogen 2.982 N/A TYR 54.A N ALA 50.A O no hydrogen 3.124 N/A VAL 55.A N LEU 51.A O no hydrogen 2.890 N/A VAL 56.A N ILE 52.A O no hydrogen 3.038 N/A MET 57.A N ASP 53.A O no hydrogen 3.146 N/A HIS 58.A N TYR 54.A O no hydrogen 2.825 N/A HIS 58.A ND1 GLN 21.A OE1 no hydrogen 2.703 N/A PHE 59.A N VAL 55.A O no hydrogen 2.919 N/A LYS 60.A N VAL 56.A O no hydrogen 2.952 N/A SER 61.A N MET 57.A O no hydrogen 2.906 N/A SER 61.A OG MET 57.A O no hydrogen 2.957 N/A GLU 62.A N HIS 58.A O no hydrogen 2.969 N/A GLU 63.A N PHE 59.A O no hydrogen 2.845 N/A THR 64.A N LYS 60.A O no hydrogen 2.901 N/A THR 64.A OG1 LYS 60.A O no hydrogen 2.964 N/A GLU 65.A N SER 61.A O no hydrogen 3.264 N/A MET 66.A N GLU 62.A O no hydrogen 2.872 N/A GLN 67.A N GLU 63.A O no hydrogen 2.868 N/A LYS 68.A N THR 64.A O no hydrogen 3.068 N/A LYS 69.A N GLU 65.A O no hydrogen 3.212 N/A LYS 69.A NZ LEU 129.A O no hydrogen 3.075 N/A GLY 70.A N GLN 67.A O no hydrogen 3.098 N/A TYR 71.A N MET 66.A O no hydrogen 2.927 N/A PHE 74.A N TYR 71.A O no hydrogen 3.264 N/A HIS 77.A N ASP 73.A O no hydrogen 2.964 N/A LYS 78.A N PHE 74.A O no hydrogen 2.842 N/A LYS 78.A NZ ASP 82.A OD2 no hydrogen 2.616 N/A ALA 79.A N ALA 75.A O no hydrogen 2.949 N/A GLU 80.A N ALA 76.A O no hydrogen 3.218 N/A HIS 81.A N HIS 77.A O no hydrogen 3.121 N/A HIS 81.A ND1 GLU 63.A OE2 no hydrogen 2.769 N/A ASP 82.A N LYS 78.A O no hydrogen 2.804 N/A LYS 83.A N ALA 79.A O no hydrogen 3.065 N/A LEU 84.A N GLU 80.A O no hydrogen 3.207 N/A VAL 85.A N HIS 81.A O no hydrogen 2.909 N/A GLY 86.A N ASP 82.A O no hydrogen 2.969 N/A VAL 87.A N LYS 83.A O no hydrogen 3.075 N/A CYS 88.A N LEU 84.A O no hydrogen 2.839 N/A CYS 88.A SG LEU 84.A O no hydrogen 3.480 N/A ALA 89.A N VAL 85.A O no hydrogen 2.790 N/A ASP 90.A N GLY 86.A O no hydrogen 2.985 N/A LEU 91.A N VAL 87.A O no hydrogen 2.916 N/A GLN 92.A N CYS 88.A O no hydrogen 2.870 N/A GLN 92.A NE2 ASP 49.A OD1 no hydrogen 2.973 N/A LYS 93.A N ALA 89.A O no hydrogen 2.871 N/A LYS 94.A N ASP 90.A O no hydrogen 3.001 N/A LYS 94.A NZ ASP 90.A OD1 no hydrogen 2.925 N/A PHE 95.A N LEU 91.A O no hydrogen 2.754 N/A HIS 96.A N GLN 92.A O no hydrogen 2.857 N/A HIS 96.A NE2 ASP 49.A OD1 no hydrogen 2.691 N/A ALA 97.A N LYS 93.A O no hydrogen 3.028 N/A ALA 97.A N LYS 94.A O no hydrogen 3.192 N/A GLY 98.A N PHE 95.A O no hydrogen 3.014 N/A GLU 99.A N LYS 94.A O no hydrogen 2.834 N/A ASN 103.A N THR 106.A OG1 no hydrogen 3.007 N/A GLN 104.A NE2 HIS 33.A O no hydrogen 2.802 N/A ASP 105.A N ASN 103.A OD1 no hydrogen 2.849 N/A THR 106.A N ASN 103.A OD1 no hydrogen 3.322 N/A THR 106.A OG1 ASN 103.A O no hydrogen 3.160 N/A THR 106.A OG1 ASN 103.A OD1 no hydrogen 3.507 N/A THR 107.A N ASN 103.A O no hydrogen 3.319 N/A THR 107.A OG1 HIS 33.A ND1 no hydrogen 2.770 N/A THR 107.A OG1 GLN 104.A O no hydrogen 3.238 N/A ARG 108.A N GLN 104.A O no hydrogen 2.931 N/A ARG 108.A NH2 ASP 105.A OD1 no hydrogen 2.857 N/A PHE 109.A N ASP 105.A O no hydrogen 2.919 N/A VAL 110.A N THR 106.A O no hydrogen 3.111 N/A ARG 111.A N THR 107.A O no hydrogen 2.897 N/A ARG 111.A NE ASP 112.A OD1 no hydrogen 2.789 N/A ARG 111.A NH2 ASP 112.A OD1 no hydrogen 3.323 N/A ASP 112.A N ARG 108.A O no hydrogen 2.836 N/A TRP 113.A N PHE 109.A O no hydrogen 2.891 N/A TYR 114.A N VAL 110.A O no hydrogen 2.921 N/A VAL 115.A N ARG 111.A O no hydrogen 2.843 N/A ASN 116.A N ASP 112.A O no hydrogen 3.069 N/A ASN 116.A ND2 ASP 112.A O no hydrogen 3.086 N/A HIS 117.A N TRP 113.A O no hydrogen 2.792 N/A ILE 118.A N TYR 114.A O no hydrogen 2.921 N/A LYS 120.A N ASN 116.A O no hydrogen 3.200 N/A VAL 121.A N HIS 117.A O no hydrogen 2.816 N/A ASP 122.A N HIS 117.A O no hydrogen 2.953 N/A LYS 123.A N ILE 118.A O no hydrogen 2.872 N/A LYS 123.A NZ ALA 9.A O no hydrogen 3.200 N/A LYS 123.A NZ GLU 10.A O no hydrogen 3.131 N/A LEU 124.A N VAL 121.A O no hydrogen 3.293 N/A TYR 125.A N ASP 122.A O no hydrogen 3.011 N/A TYR 125.A OH GLU 62.A OE2 no hydrogen 2.715 N/A GLY 126.A N LYS 123.A O no hydrogen 3.025 N/A LEU 129.A N TYR 125.A O no hydrogen 2.920 N/A SER 130.A N GLY 126.A O no hydrogen 2.894 N/A SER 130.A OG GLY 126.A O no hydrogen 2.725 N/A ALA 131.A N CYS 128.A O no hydrogen 3.472 N/A