Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mal_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1.A no hydrogen 2.746 N/A ILE 3.A N TRP 123.A O no hydrogen 2.799 N/A THR 4.A N SER 7.A OG.B no hydrogen 3.322 N/A THR 4.A OG1 SER 7.A OG.B no hydrogen 2.933 N/A THR 4.A OG1 LEU 177.A O no hydrogen 2.682 N/A TYR 5.A N ASP 63.A O no hydrogen 2.925 N/A GLY 6.A N VAL 51.A O no hydrogen 2.832 N/A SER 7.A N THR 4.A O no hydrogen 3.137 N/A SER 7.A OG.A THR 4.A O no hydrogen 3.274 N/A SER 7.A OG.B THR 4.A O no hydrogen 2.731 N/A ALA 8.A N VAL 175.A O no hydrogen 2.984 N/A ILE 9.A N TRP 49.A O no hydrogen 2.886 N/A LYS 10.A N ALA 172.A O no hydrogen 3.027 N/A LYS 10.A NZ GLU 173.A OE1 no hydrogen 3.057 N/A MET 12.A N LEU 170.A O no hydrogen 2.757 N/A HIS 13.A N PHE 18.A O no hydrogen 2.931 N/A GLU 14.A N ILE 168.A O no hydrogen 2.966 N/A THR 16.A OG1 GLN 155.A OE1 no hydrogen 3.102 N/A LYS 17.A N HIS 13.A O no hydrogen 2.827 N/A LYS 17.A NZ GLU 14.A O no hydrogen 2.787 N/A PHE 18.A N THR 16.A OG1 no hydrogen 3.306 N/A ARG 19.A N PHE 39.A O no hydrogen 2.795 N/A ARG 19.A NH1 LYS 17.A O no hydrogen 2.864 N/A LEU 20.A N LEU 11.A O no hydrogen 2.919 N/A HIS 21.A N THR 37.A O no hydrogen 2.890 N/A HIS 21.A ND1 THR 37.A OG1 no hydrogen 3.059 N/A SER 22.A N ASN 46.A O no hydrogen 3.228 N/A SER 22.A OG GLN 34.A OE1 no hydrogen 2.933 N/A SER 22.A OG SER 35.A O no hydrogen 2.754 N/A HIS 23.A NE2 SER 35.A OG no hydrogen 2.950 N/A VAL 25.A N HIS 23.A O no hydrogen 3.022 N/A TYR 27.A N GLN 33.A O no hydrogen 2.879 N/A TYR 27.A OH VAL 36.A O no hydrogen 3.162 N/A TYR 27.A OH VAL 97.A O no hydrogen 2.549 N/A SER 31.A N GLU 96.A OE2 no hydrogen 3.073 N/A SER 31.A OG HIS 85.A NE2 no hydrogen 3.396 N/A SER 31.A OG GLU 96.A OE1 no hydrogen 2.473 N/A SER 31.A OG GLU 96.A OE2 no hydrogen 3.446 N/A GLY 32.A N SER 29.A O no hydrogen 2.894 N/A GLN 33.A N SER 31.A OG no hydrogen 3.074 N/A SER 35.A N VAL 25.A O no hydrogen 2.956 N/A SER 35.A OG HIS 23.A NE2 no hydrogen 2.950 N/A SER 35.A OG VAL 25.A O no hydrogen 2.920 N/A VAL 36.A N TYR 27.A OH no hydrogen 3.324 N/A THR 37.A N HIS 21.A O no hydrogen 2.900 N/A THR 37.A OG1 HIS 21.A ND1 no hydrogen 3.059 N/A THR 37.A OG1 GLN 154.A OE1 no hydrogen 2.607 N/A GLY 38.A N GLN 155.A O no hydrogen 2.834 N/A PHE 39.A N ARG 19.A O no hydrogen 2.779 N/A SER 47.A N ASP 44.A O no hydrogen 3.035 N/A SER 47.A OG ASP 44.A OD1 no hydrogen 2.744 N/A TYR 48.A N SER 45.A O no hydrogen 3.139 N/A TYR 48.A OH GLU 173.A O no hydrogen 2.869 N/A TRP 49.A N ILE 9.A O no hydrogen 2.962 N/A TRP 49.A NE1 LEU 20.A O no hydrogen 2.971 N/A ILE 50.A N GLN 74.A O no hydrogen 2.712 N/A VAL 51.A N SER 7.A O no hydrogen 3.027 N/A LYS 52.A N ARG 72.A O no hydrogen 2.886 N/A LYS 52.A NZ GLN 74.A OE1 no hydrogen 2.720 N/A THR 57.A N VAL 54.A O no hydrogen 3.353 N/A THR 57.A OG1 VAL 54.A O no hydrogen 2.649 N/A GLU 59.A N GLU 59.A OE2 no hydrogen 2.852 N/A LYS 60.A N ASP 63.A OD2 no hydrogen 3.011 N/A LYS 60.A NZ ASP 63.A OD1 no hydrogen 2.985 N/A LYS 60.A NZ ASP 63.A OD2 no hydrogen 3.518 N/A GLY 62.A N TYR 5.A O no hydrogen 2.900 N/A ASP 63.A N LYS 60.A O no hydrogen 2.916 N/A VAL 65.A N ILE 3.A O no hydrogen 3.138 N/A SER 67.A N LYS 121.A O no hydrogen 2.876 N/A GLY 68.A N LEU 114.A O no hydrogen 2.668 N/A ALA 69.A N LYS 66.A O no hydrogen 3.013 N/A ILE 71.A N TRP 112.A O no hydrogen 2.768 N/A ARG 72.A N LYS 52.A O no hydrogen 2.794 N/A ARG 72.A NE PRO 53.A O no hydrogen 2.938 N/A ARG 72.A NH1 SER 106.A OG no hydrogen 2.962 N/A ARG 72.A NH2 PRO 53.A O no hydrogen 3.164 N/A GLN 74.A N ILE 50.A O no hydrogen 2.971 N/A GLN 74.A NE2 ARG 79.A O no hydrogen 2.863 N/A GLN 74.A NE2 ASP 103.A OD2 no hydrogen 3.102 N/A HIS 75.A N LYS 80.A O no hydrogen 2.891 N/A HIS 75.A ND1 THR 78.A OG1 no hydrogen 2.945 N/A HIS 75.A NE2 ASN 46.A O no hydrogen 2.763 N/A MET 76.A N TYR 48.A O no hydrogen 3.110 N/A LYS 77.A NZ SER 45.A OG no hydrogen 2.921 N/A LYS 77.A NZ ASN 46.A OD1 no hydrogen 3.034 N/A THR 78.A N HIS 75.A ND1 no hydrogen 3.368 N/A THR 78.A OG1 GLN 34.A OE1 no hydrogen 2.968 N/A THR 78.A OG1 HIS 75.A ND1 no hydrogen 2.945 N/A ARG 79.A N HIS 75.A O no hydrogen 2.806 N/A ARG 79.A NH1 ASP 103.A OD1 no hydrogen 3.337 N/A ARG 79.A NH1 ASP 103.A OD2 no hydrogen 2.889 N/A LYS 80.A NZ GLY 101.A O no hydrogen 2.929 N/A TRP 81.A N PHE 100.A O no hydrogen 2.818 N/A TRP 81.A NE1 ASP 102.A O no hydrogen 2.896 N/A LEU 82.A N LEU 73.A O no hydrogen 2.916 N/A HIS 83.A N SER 98.A O no hydrogen 2.781 N/A HIS 83.A ND1 ASP 110.A OD1 no hydrogen 2.590 N/A SER 84.A N GLY 109.A O no hydrogen 3.215 N/A SER 84.A OG GLU 96.A O no hydrogen 2.715 N/A HIS 85.A N SER 84.A OG no hydrogen 2.846 N/A SER 89.A N ASN 94.A O no hydrogen 2.706 N/A SER 89.A OG ASN 94.A O no hydrogen 3.346 N/A SER 89.A OG GLU 156.A OE2 no hydrogen 2.771 N/A ILE 91.A N GLU 156.A OE2 no hydrogen 2.797 N/A SER 92.A N GLU 156.A OE2 no hydrogen 2.883 N/A SER 92.A OG GLU 156.A OE1 no hydrogen 2.652 N/A SER 92.A OG GLU 156.A OE2 no hydrogen 3.326 N/A GLY 93.A N SER 89.A O no hydrogen 3.317 N/A ASN 94.A N SER 89.A OG no hydrogen 2.931 N/A ASN 94.A ND2 SER 92.A OG no hydrogen 2.847 N/A LEU 95.A N GLY 159.A O no hydrogen 2.991 N/A GLU 96.A N HIS 87.A O no hydrogen 2.744 N/A SER 98.A N HIS 83.A O no hydrogen 2.847 N/A SER 98.A OG GLN 33.A OE1 no hydrogen 2.677 N/A CYS 99.A N GLN 34.A O no hydrogen 2.795 N/A CYS 99.A SG SER 22.A OG no hydrogen 3.537 N/A PHE 100.A N TRP 81.A O no hydrogen 2.893 N/A ASP 102.A N ASN 105.A O no hydrogen 3.040 N/A THR 104.A N ASP 102.A OD1 no hydrogen 2.552 N/A THR 104.A OG1 ASP 102.A OD1 no hydrogen 2.634 N/A ASN 105.A N ASP 102.A O no hydrogen 3.110 N/A SER 106.A OG ASP 110.A OD2 no hydrogen 2.706 N/A ASP 107.A N ASP 110.A OD2 no hydrogen 3.062 N/A THR 108.A OG1 ASP 135.A OD2 no hydrogen 2.627 N/A GLY 109.A N ASP 107.A OD1 no hydrogen 2.795 N/A ASP 110.A N ASP 107.A O no hydrogen 2.917 N/A HIS 111.A N THR 108.A O no hydrogen 2.969 N/A TRP 112.A N ILE 71.A O no hydrogen 2.986 N/A TRP 112.A NE1 LEU 82.A O no hydrogen 2.970 N/A LYS 113.A N GLN 132.A O no hydrogen 2.692 N/A LEU 114.A N ALA 69.A O no hydrogen 2.935 N/A ILE 115.A N ARG 130.A O no hydrogen 2.977 N/A ILE 116.A N SER 67.A OG no hydrogen 3.230 N/A GLU 117.A N ARG 128.A O no hydrogen 3.021 N/A TRP 123.A N VAL 65.A O no hydrogen 2.808 N/A LYS 124.A NZ THR 122.A O no hydrogen 3.131 N/A GLN 125.A N VAL 1.A O no hydrogen 2.918 N/A GLN 125.A NE2 ASP 126.A OD1 no hydrogen 3.320 N/A ASP 126.A N ALA 171.A O no hydrogen 2.821 N/A GLN 127.A N LYS 124.A O no hydrogen 3.309 N/A GLN 127.A NE2 THR 122.A O no hydrogen 3.585 N/A ARG 128.A NE GLU 14.A OE2 no hydrogen 2.871 N/A ARG 128.A NH2 GLU 14.A OE1 no hydrogen 2.840 N/A VAL 129.A N TRP 169.A O no hydrogen 2.882 N/A ARG 130.A N ILE 115.A O no hydrogen 2.880 N/A ARG 130.A NE GLU 117.A OE2 no hydrogen 2.937 N/A ARG 130.A NH1 LYS 164.A O no hydrogen 2.736 N/A ARG 130.A NH1 ASN 167.A OD1 no hydrogen 2.806 N/A GLN 132.A N LYS 113.A O no hydrogen 2.902 N/A GLN 132.A NE2 SER 137.A O no hydrogen 3.080 N/A HIS 133.A N GLY 138.A O no hydrogen 2.690 N/A HIS 133.A ND1 THR 136.A OG1 no hydrogen 2.679 N/A HIS 133.A NE2 GLY 109.A O no hydrogen 2.725 N/A ILE 134.A N HIS 111.A O no hydrogen 3.038 N/A THR 136.A N HIS 133.A ND1 no hydrogen 3.258 N/A THR 136.A OG1 HIS 133.A ND1 no hydrogen 2.679 N/A SER 137.A N HIS 133.A O no hydrogen 2.811 N/A GLY 138.A N THR 136.A OG1 no hydrogen 3.264 N/A TYR 139.A N ILE 160.A O no hydrogen 2.810 N/A LEU 140.A N LEU 131.A O no hydrogen 2.888 N/A HIS 141.A N CYS 158.A O no hydrogen 2.754 N/A SER 142.A N ASP 166.A O no hydrogen 3.236 N/A SER 142.A OG GLN 155.A OE1 no hydrogen 3.304 N/A SER 142.A OG GLU 156.A O no hydrogen 2.718 N/A HIS 143.A NE2 GLU 156.A OE1 no hydrogen 2.834 N/A LYS 145.A N HIS 143.A O no hydrogen 2.762 N/A LYS 146.A NZ ASP 144.A OD1 no hydrogen 3.371 N/A TYR 147.A N GLN 154.A O no hydrogen 2.941 N/A GLY 153.A N TYR 147.A O no hydrogen 3.003 N/A GLN 154.A N ALA 151.A O no hydrogen 3.097 N/A GLN 155.A N GLY 38.A O no hydrogen 2.925 N/A GLU 156.A N LYS 145.A O no hydrogen 2.859 N/A CYS 158.A N HIS 141.A O no hydrogen 2.945 N/A CYS 158.A SG HIS 141.A ND1 no hydrogen 4.026 N/A CYS 158.A SG GLU 156.A OE1 no hydrogen 3.802 N/A GLY 159.A N LEU 95.A O no hydrogen 2.926 N/A ILE 160.A N TYR 139.A O no hydrogen 3.188 N/A LYS 164.A N ASN 167.A OD1 no hydrogen 2.877 N/A ASN 167.A N LYS 164.A O no hydrogen 3.028 N/A ASN 167.A ND2 GLU 162.A O no hydrogen 2.867 N/A ILE 168.A N ALA 165.A O no hydrogen 3.376 N/A TRP 169.A N VAL 129.A O no hydrogen 2.800 N/A TRP 169.A NE1 LEU 140.A O no hydrogen 2.878 N/A LEU 170.A N MET 12.A O no hydrogen 2.809 N/A ALA 172.A N LYS 10.A O no hydrogen 2.889 N/A GLY 174.A N TYR 176.A OH no hydrogen 3.286 N/A VAL 175.A N ALA 8.A O no hydrogen 2.692 N/A TYR 176.A OH GLN 125.A OE1 no hydrogen 2.435 N/A LEU 177.A N SER 7.A OG.B no hydrogen 3.083 N/A ASN 180.A N GLY 62.A O no hydrogen 2.930 N/A ASN 180.A ND2 GLN 61.A O no hydrogen 2.925 N/A ASN 180.A ND2 ASP 63.A OD1 no hydrogen 2.941 N/A