Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mdi_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 1.A OD1 no hydrogen 3.125 N/A ARG 3.A NE ASP 1.A OD1 no hydrogen 3.165 N/A ARG 3.A NE ASP 1.A OD2 no hydrogen 3.507 N/A ARG 3.A NH2 ASP 1.A OD2 no hydrogen 3.072 N/A ARG 5.A NH1 ASP 1.A OD1 no hydrogen 3.143 N/A ARG 5.A NH1 ARG 3.A O no hydrogen 2.871 N/A ARG 5.A NH2 ASP 1.A OD2 no hydrogen 2.787 N/A LEU 7.A N HIS 32.A ND1 no hydrogen 3.352 N/A GLN 9.A N PHE 30.A O no hydrogen 2.987 N/A GLN 9.A NE2 HIS 32.A O no hydrogen 2.995 N/A LYS 11.A N ARG 28.A O no hydrogen 2.919 N/A HIS 12.A ND1 ASP 27.A OD1 no hydrogen 2.556 N/A GLU 13.A N LEU 26.A O no hydrogen 2.792 N/A HIS 15.A N ARG 24.A O no hydrogen 2.754 N/A HIS 15.A NE2 GLU 13.A OE1 no hydrogen 2.780 N/A PHE 17.A N ARG 22.A O no hydrogen 2.893 N/A GLU 21.A N ASN 18.A O no hydrogen 3.139 N/A ARG 22.A N PHE 17.A O no hydrogen 3.167 N/A ARG 24.A N HIS 15.A O no hydrogen 2.947 N/A ARG 24.A NE ASP 40.A OD1 no hydrogen 2.925 N/A ARG 24.A NH2 ASP 40.A OD2 no hydrogen 2.732 N/A PHE 25.A N SER 41.A OG no hydrogen 2.765 N/A LEU 26.A N GLU 13.A O no hydrogen 2.890 N/A ASP 27.A N PHE 39.A O no hydrogen 2.797 N/A ARG 28.A N LYS 11.A O no hydrogen 2.907 N/A ARG 28.A NE GLU 35.A OE1 no hydrogen 3.435 N/A ARG 28.A NE GLU 35.A OE2 no hydrogen 3.010 N/A ARG 28.A NH1 GLU 13.A OE2 no hydrogen 2.897 N/A ARG 28.A NH2 GLU 35.A OE1 no hydrogen 2.947 N/A TYR 29.A N VAL 37.A O no hydrogen 3.101 N/A PHE 30.A N GLN 9.A O no hydrogen 2.837 N/A TYR 31.A N GLU 34.A O no hydrogen 2.867 N/A HIS 32.A N LEU 7.A O no hydrogen 2.773 N/A GLU 34.A N TYR 31.A O no hydrogen 2.967 N/A TYR 36.A N TYR 29.A O no hydrogen 2.848 N/A TYR 36.A OH GLU 8.A OE2 no hydrogen 2.642 N/A ARG 38.A N ARG 47.A O no hydrogen 2.961 N/A ARG 38.A NE GLU 35.A OE2 no hydrogen 2.890 N/A ARG 38.A NH2 GLU 35.A OE1 no hydrogen 2.914 N/A ARG 38.A NH2 GLU 35.A OE2 no hydrogen 3.405 N/A PHE 39.A N ASP 27.A O no hydrogen 2.828 N/A SER 41.A N PHE 25.A O no hydrogen 2.847 N/A SER 41.A OG PHE 25.A O no hydrogen 3.232 N/A ASP 42.A N ASP 40.A OD1 no hydrogen 2.924 N/A VAL 43.A N ASP 40.A O no hydrogen 2.777 N/A GLY 44.A N ASP 40.A O no hydrogen 2.906 N/A TYR 46.A N ASN 61.A OD1 no hydrogen 2.906 N/A ARG 47.A N ARG 38.A O no hydrogen 2.828 N/A ARG 47.A NH1 GLU 45.A OE2 no hydrogen 3.087 N/A ARG 47.A NH1 TYR 46.A O no hydrogen 2.775 N/A ARG 47.A NH2 GLU 45.A OE2 no hydrogen 2.980 N/A VAL 49.A N TYR 36.A O no hydrogen 2.778 N/A THR 50.A N TYR 36.A O no hydrogen 3.366 N/A THR 50.A OG1 GLU 34.A OE2 no hydrogen 2.637 N/A GLY 53.A N THR 50.A O no hydrogen 2.916 N/A ARG 54.A N GLU 51.A O no hydrogen 3.098 N/A ALA 57.A N GLY 53.A O no hydrogen 3.066 N/A GLU 58.A N ARG 54.A O no hydrogen 3.064 N/A TYR 59.A N PRO 55.A O no hydrogen 3.079 N/A TRP 60.A N ASP 56.A O no hydrogen 2.885 N/A ASN 61.A N ALA 57.A O no hydrogen 3.044 N/A ASN 61.A ND2 TYR 46.A O no hydrogen 2.931 N/A SER 62.A N TYR 59.A O no hydrogen 2.763 N/A SER 62.A OG TYR 59.A O no hydrogen 2.386 N/A SER 62.A OG GLN 63.A OE1 no hydrogen 3.160 N/A GLN 63.A N TRP 60.A O no hydrogen 3.070 N/A LEU 67.A N GLN 63.A O no hydrogen 3.008 N/A GLU 68.A N LYS 64.A O no hydrogen 2.923 N/A ASP 69.A N ASP 65.A O no hydrogen 3.085 N/A GLU 70.A N ILE 66.A O no hydrogen 3.039 N/A ARG 71.A N LEU 67.A O no hydrogen 2.847 N/A ARG 71.A NE GLY 44.A O no hydrogen 2.851 N/A ARG 71.A NH1 GLU 68.A OE2 no hydrogen 2.739 N/A ARG 71.A NH2 GLY 44.A O no hydrogen 2.963 N/A ALA 72.A N GLU 68.A O no hydrogen 3.084 N/A ALA 73.A N GLU 70.A O no hydrogen 3.286 N/A ASP 75.A N ALA 72.A O no hydrogen 2.764 N/A THR 76.A N ALA 72.A O no hydrogen 3.007 N/A THR 76.A OG1 ALA 72.A O no hydrogen 3.454 N/A TYR 77.A N ALA 73.A O no hydrogen 2.829 N/A CYS 78.A N ALA 73.A O no hydrogen 2.868 N/A CYS 78.A SG ALA 73.A O no hydrogen 3.927 N/A ARG 79.A N VAL 74.A O no hydrogen 2.847 N/A ARG 79.A NE THR 20.A O no hydrogen 2.878 N/A ARG 79.A NH1 ASP 75.A OD1 no hydrogen 3.062 N/A ARG 79.A NH2 THR 20.A O no hydrogen 2.974 N/A ARG 79.A NH2 GLU 21.A O no hydrogen 3.493 N/A HIS 80.A N ASP 75.A O no hydrogen 3.242 N/A ASN 81.A N TYR 77.A O no hydrogen 2.903 N/A TYR 82.A N CYS 78.A O no hydrogen 2.974 N/A GLY 83.A N ARG 79.A O no hydrogen 3.121 N/A VAL 84.A N HIS 80.A O no hydrogen 3.056 N/A VAL 85.A N ASN 81.A O no hydrogen 3.012 N/A GLU 86.A N TYR 82.A O no hydrogen 2.901 N/A PHE 88.A N VAL 85.A O no hydrogen 3.172 N/A THR 89.A N GLU 86.A O no hydrogen 3.403 N/A THR 89.A OG1 VAL 85.A O no hydrogen 2.653 N/A VAL 90.A N THR 89.A OG1 no hydrogen 2.688 N/A GLN 91.A N GLU 86.A O no hydrogen 3.007 N/A GLN 91.A NE2 GLU 86.A OE2 no hydrogen 3.138 N/A ARG 92.A N THR 89.A O no hydrogen 3.177 N/A ARG 92.A NE TRP 152.A O no hydrogen 3.305 N/A ARG 92.A NH2 TRP 152.A O no hydrogen 2.897 N/A ARG 93.A NH1 VAL 90.A O no hydrogen 3.187 N/A ARG 93.A NH1 ARG 92.A O no hydrogen 2.887 N/A VAL 94.A N TYR 122.A O no hydrogen 2.838 N/A GLU 97.A N.A ASN 119.A O no hydrogen 2.811 N/A GLU 97.A N.B ASN 119.A O no hydrogen 2.820 N/A THR 99.A N SER 117.A O no hydrogen 2.920 N/A THR 99.A OG1 GLU 97.A OE1.A no hydrogen 3.002 N/A TYR 101.A N VAL 115.A O no hydrogen 2.956 N/A ALA 103.A N LEU 113.A O no hydrogen 2.726 N/A LYS 104.A NZ GLN 109.A O no hydrogen 2.495 N/A THR 105.A N ASN 112.A OD1 no hydrogen 2.919 N/A THR 105.A OG1 GLN 109.A OE1 no hydrogen 2.640 N/A GLN 106.A N GLN 109.A OE1 no hydrogen 3.003 N/A GLN 109.A N GLN 106.A O no hydrogen 3.052 N/A ASN 112.A N ALA 103.A O no hydrogen 3.160 N/A ASN 112.A ND2 THR 105.A OG1 no hydrogen 2.803 N/A ASN 112.A ND2 GLN 109.A OE1 no hydrogen 2.828 N/A LEU 114.A N LEU 160.A O no hydrogen 2.780 N/A VAL 115.A N TYR 101.A O no hydrogen 2.763 N/A CYS 116.A N VAL 158.A O no hydrogen 2.891 N/A SER 117.A N THR 99.A O no hydrogen 2.717 N/A SER 117.A OG ASN 119.A OD1 no hydrogen 2.629 N/A VAL 118.A N THR 156.A O no hydrogen 2.865 N/A ASN 119.A N GLU 97.A O.A no hydrogen 2.893 N/A ASN 119.A N GLU 97.A O.B no hydrogen 2.933 N/A GLY 120.A N PHE 154.A O no hydrogen 2.816 N/A PHE 121.A N PHE 154.A O no hydrogen 3.209 N/A TYR 122.A N VAL 94.A O no hydrogen 2.951 N/A GLU 127.A N GLU 175.A O no hydrogen 2.948 N/A ARG 129.A N GLN 173.A O no hydrogen 2.911 N/A ARG 129.A NE GLU 127.A OE2 no hydrogen 3.141 N/A ARG 129.A NH1 GLU 136.A OE1 no hydrogen 2.816 N/A TRP 130.A NE1 VAL 158.A O no hydrogen 2.968 N/A PHE 131.A N THR 171.A O no hydrogen 2.828 N/A ARG 132.A N GLN 135.A O no hydrogen 2.799 N/A ARG 132.A NE TYR 170.A OH no hydrogen 3.307 N/A ARG 132.A NH1 GLU 137.A OE2 no hydrogen 2.488 N/A ARG 132.A NH2 THR 162.A OG1 no hydrogen 3.236 N/A ASN 133.A N VAL 169.A O no hydrogen 2.973 N/A GLN 135.A N ARG 132.A O no hydrogen 3.046 N/A GLU 137.A N TRP 130.A O no hydrogen 2.786 N/A THR 139.A OG1 GLU 137.A OE1 no hydrogen 3.235 N/A VAL 142.A N MET 159.A O no hydrogen 3.088 N/A SER 143.A OG LEU 157.A O no hydrogen 2.880 N/A THR 144.A N LEU 157.A O no hydrogen 3.081 N/A THR 144.A OG1 GLY 145.A O no hydrogen 2.842 N/A THR 144.A OG1 THR 156.A OG1 no hydrogen 3.418 N/A THR 144.A OG1 LEU 157.A O no hydrogen 3.565 N/A GLY 145.A N SER 143.A OG no hydrogen 2.901 N/A ILE 147.A N GLN 155.A O no hydrogen 2.910 N/A ASN 149.A N THR 153.A O no hydrogen 3.021 N/A ASN 149.A ND2 THR 153.A OG1 no hydrogen 3.028 N/A THR 153.A OG1 ASP 151.A OD1 no hydrogen 2.633 N/A PHE 154.A N PHE 121.A O no hydrogen 2.758 N/A GLN 155.A N ILE 147.A O no hydrogen 2.925 N/A GLN 155.A NE2 ASN 149.A OD1 no hydrogen 2.828 N/A THR 156.A N VAL 118.A O no hydrogen 2.833 N/A THR 156.A OG1 THR 144.A OG1 no hydrogen 3.418 N/A THR 156.A OG1 GLY 145.A O no hydrogen 2.817 N/A LEU 157.A N THR 144.A OG1 no hydrogen 2.937 N/A VAL 158.A N CYS 116.A O no hydrogen 2.954 N/A MET 159.A N VAL 142.A O no hydrogen 2.663 N/A LEU 160.A N LEU 114.A O no hydrogen 2.763 N/A GLU 161.A N GLY 140.A O no hydrogen 2.875 N/A THR 162.A N ASN 112.A O no hydrogen 3.237 N/A THR 162.A OG1 TYR 170.A OH no hydrogen 2.857 N/A ARG 165.A N GLU 168.A OE1 no hydrogen 3.062 N/A GLU 168.A N ARG 165.A O no hydrogen 3.208 N/A VAL 169.A N ASN 133.A OD1 no hydrogen 3.165 N/A TYR 170.A N TRP 187.A O no hydrogen 2.888 N/A TYR 170.A OH THR 162.A OG1 no hydrogen 2.857 N/A TYR 170.A OH GLU 168.A OE1 no hydrogen 2.552 N/A THR 171.A N PHE 131.A O no hydrogen 2.873 N/A CYS 172.A N VAL 185.A O no hydrogen 2.887 N/A GLN 173.A N ARG 129.A O no hydrogen 2.825 N/A VAL 174.A N LEU 183.A O no hydrogen 2.711 N/A GLU 175.A N GLU 127.A O no hydrogen 2.907 N/A HIS 176.A ND1 SER 178.A OG no hydrogen 2.712 N/A HIS 176.A NE2 PRO 123.A O no hydrogen 2.762 N/A SER 178.A N HIS 176.A ND1 no hydrogen 3.120 N/A SER 178.A OG HIS 176.A ND1 no hydrogen 2.712 N/A LEU 179.A N HIS 176.A O no hydrogen 2.954 N/A LEU 183.A N VAL 174.A O no hydrogen 2.874 N/A VAL 185.A N CYS 172.A O no hydrogen 2.882 N/A TRP 187.A N TYR 170.A O no hydrogen 2.827 N/A ARG 188.A NH1 GLU 186.A OE1 no hydrogen 2.598 N/A ARG 188.A NH2 GLU 186.A OE1 no hydrogen 3.220 N/A