Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mdi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 25.A OD2 no hydrogen 2.484 N/A VAL 4.A N ASP 25.A OD1 no hydrogen 2.860 N/A ILE 6.A N ASP 23.A O no hydrogen 2.861 N/A GLN 7.A NE2 GLU 9.A OE2 no hydrogen 2.691 N/A ALA 8.A N MET 21.A O no hydrogen 2.784 N/A PHE 10.A N GLU 19.A O.A no hydrogen 3.038 N/A PHE 10.A N GLU 19.A O.C no hydrogen 3.234 N/A LEU 12.A N SER 17.A O no hydrogen 2.791 N/A SER 17.A N LEU 12.A O no hydrogen 3.295 N/A GLU 19.A N.A PHE 10.A O no hydrogen 3.020 N/A GLU 19.A N.C PHE 10.A O no hydrogen 2.993 N/A MET 21.A N ALA 8.A O no hydrogen 2.979 N/A PHE 22.A N PHE 30.A O no hydrogen 3.042 N/A ASP 23.A N ILE 6.A O no hydrogen 2.695 N/A PHE 24.A N ASP 27.A O no hydrogen 2.712 N/A ASP 25.A N VAL 4.A O no hydrogen 3.077 N/A GLY 26.A N ASP 23.A OD2 no hydrogen 2.731 N/A ASP 27.A N PHE 24.A O no hydrogen 2.886 N/A ILE 29.A N PHE 22.A O no hydrogen 2.810 N/A HIS 31.A N VAL 40.A O no hydrogen 3.034 N/A HIS 31.A ND1 GLU 28.A OE2 no hydrogen 2.683 N/A VAL 32.A N PHE 20.A O no hydrogen 2.975 N/A ASP 33.A N GLU 38.A O no hydrogen 2.870 N/A LYS 36.A N ASP 33.A OD1 no hydrogen 3.070 N/A GLU 38.A N ASP 33.A O no hydrogen 3.262 N/A THR 39.A OG1 PHE 52.A O no hydrogen 2.708 N/A VAL 40.A N HIS 31.A O no hydrogen 2.774 N/A ARG 42.A N ILE 29.A O no hydrogen 2.986 N/A ARG 42.A NH1 ARG 42.A O no hydrogen 3.106 N/A GLU 45.A N.B GLU 45.A OE1.B no hydrogen 2.904 N/A PHE 46.A N LEU 43.A O no hydrogen 3.095 N/A GLY 47.A N GLU 44.A O.A no hydrogen 3.276 N/A GLY 47.A N GLU 44.A O.B no hydrogen 3.285 N/A ARG 48.A N GLU 45.A O.A no hydrogen 3.241 N/A ARG 48.A N GLU 45.A O.B no hydrogen 3.097 N/A ARG 48.A NH1 GLU 44.A OE1.A no hydrogen 2.788 N/A ARG 48.A NH2 GLU 44.A OE1.A no hydrogen 3.309 N/A PHE 49.A N PHE 46.A O no hydrogen 3.106 N/A GLN 55.A N GLU 53.A OE2 no hydrogen 3.216 N/A GLY 56.A N GLU 53.A O no hydrogen 3.306 N/A ALA 57.A N ALA 54.A O no hydrogen 2.988 N/A ALA 59.A N GLN 55.A O no hydrogen 3.299 N/A ASN 60.A N GLY 56.A O no hydrogen 3.178 N/A ASN 60.A ND2 GLU 9.A OE2 no hydrogen 2.781 N/A ILE 61.A N ALA 57.A O no hydrogen 2.917 N/A ALA 62.A N LEU 58.A O no hydrogen 3.004 N/A VAL 63.A N ALA 59.A O no hydrogen 3.169 N/A ASP 64.A N ASN 60.A O no hydrogen 2.882 N/A LYS 65.A N ILE 61.A O no hydrogen 2.899 N/A LYS 65.A NZ TYR 11.A OH no hydrogen 3.316 N/A ALA 66.A N ALA 62.A O no hydrogen 3.148 N/A ASN 67.A N VAL 63.A O no hydrogen 2.768 N/A LEU 68.A N ASP 64.A O no hydrogen 2.796 N/A GLU 69.A N.A LYS 65.A O no hydrogen 3.202 N/A GLU 69.A N.B LYS 65.A O no hydrogen 3.209 N/A ILE 70.A N ALA 66.A O no hydrogen 3.203 N/A MET 71.A N ASN 67.A O no hydrogen 2.886 N/A THR 72.A N LEU 68.A O no hydrogen 2.792 N/A THR 72.A OG1 LEU 68.A O no hydrogen 2.709 N/A LYS 73.A N GLU 69.A O.A no hydrogen 3.236 N/A LYS 73.A N GLU 69.A O.B no hydrogen 3.339 N/A ARG 74.A N ILE 70.A O no hydrogen 3.041 N/A SER 75.A N MET 71.A O no hydrogen 2.912 N/A SER 75.A OG THR 72.A O no hydrogen 2.778 N/A ASN 76.A N LYS 73.A O no hydrogen 3.019 N/A TYR 77.A N THR 72.A O no hydrogen 2.794 N/A THR 78.A N SER 75.A OG no hydrogen 2.950 N/A THR 78.A OG1 SER 75.A O no hydrogen 2.573 N/A VAL 83.A N THR 111.A O no hydrogen 2.758 N/A GLU 86.A N ASP 108.A O no hydrogen 2.881 N/A THR 88.A N PHE 106.A O no hydrogen 2.913 N/A LEU 90.A N ILE 104.A O no hydrogen 2.975 N/A THR 91.A OG1 SER 93.A O no hydrogen 2.786 N/A ASN 92.A N VAL 102.A O no hydrogen 2.890 N/A SER 93.A N ASN 101.A OD1 no hydrogen 3.398 N/A ARG 98.A N PRO 153.A O no hydrogen 2.915 N/A GLU 99.A N GLU 96.A O no hydrogen 3.057 N/A ASN 101.A N PHE 151.A O no hydrogen 3.050 N/A ASN 101.A ND2 SER 93.A O no hydrogen 2.856 N/A VAL 102.A N ASN 101.A OD1 no hydrogen 2.691 N/A LEU 103.A N LEU 149.A O no hydrogen 2.822 N/A ILE 104.A N LEU 90.A O no hydrogen 2.701 N/A CYS 105.A N HIS 147.A O no hydrogen 2.820 N/A PHE 106.A N THR 88.A O no hydrogen 2.759 N/A ILE 107.A N LYS 145.A O no hydrogen 2.848 N/A ASP 108.A N GLU 86.A O no hydrogen 2.857 N/A LYS 109.A NZ ASP 108.A OD2 no hydrogen 3.251 N/A PHE 110.A N PHE 143.A O no hydrogen 3.229 N/A THR 111.A N VAL 83.A O no hydrogen 3.056 N/A VAL 114.A N PRO 112.A O no hydrogen 2.736 N/A ASN 116.A N GLU 164.A O no hydrogen 2.995 N/A ASN 116.A ND2 GLU 164.A OE1 no hydrogen 3.274 N/A THR 118.A N ARG 162.A O no hydrogen 2.860 N/A LEU 120.A N ASP 160.A O no hydrogen 2.848 N/A ARG 121.A N LYS 124.A O no hydrogen 2.810 N/A ARG 121.A NH2 TYR 159.A OH no hydrogen 2.735 N/A ASN 122.A N VAL 158.A O no hydrogen 2.917 N/A ASN 122.A ND2 ASP 157.A OD1 no hydrogen 2.980 N/A LYS 124.A N ARG 121.A O no hydrogen 3.048 N/A VAL 126.A N TRP 119.A O no hydrogen 2.865 N/A VAL 130.A N THR 127.A O no hydrogen 3.301 N/A SER 131.A N TYR 148.A O no hydrogen 3.196 N/A THR 133.A N PHE 146.A O no hydrogen 2.888 N/A THR 133.A OG1 VAL 134.A O no hydrogen 2.889 N/A PHE 135.A N GLU 19.A OE1.A no hydrogen 3.353 N/A PHE 135.A N GLU 19.A OE1.C no hydrogen 3.050 N/A LEU 136.A N ARG 144.A O no hydrogen 2.747 N/A ARG 138.A N LEU 142.A O no hydrogen 3.082 N/A ARG 138.A NE ASP 140.A OD1 no hydrogen 3.019 N/A ARG 138.A NE ASP 140.A OD2 no hydrogen 3.488 N/A ARG 138.A NH1 ASP 108.A OD1 no hydrogen 2.949 N/A ARG 138.A NH2 ASP 140.A OD2 no hydrogen 2.925 N/A HIS 141.A N ARG 138.A O no hydrogen 2.903 N/A LEU 142.A N ASP 140.A OD1 no hydrogen 3.254 N/A PHE 143.A N PHE 110.A O no hydrogen 2.869 N/A ARG 144.A N LEU 136.A O no hydrogen 2.886 N/A ARG 144.A NH2.A GLY 26.A O no hydrogen 2.559 N/A LYS 145.A N ILE 107.A O no hydrogen 2.790 N/A LYS 145.A NZ GLU 132.A OE1 no hydrogen 2.868 N/A LYS 145.A NZ THR 133.A O no hydrogen 2.901 N/A LYS 145.A NZ HIS 147.A NE2 no hydrogen 3.032 N/A PHE 146.A N THR 133.A OG1 no hydrogen 3.061 N/A HIS 147.A N CYS 105.A O no hydrogen 2.908 N/A TYR 148.A N SER 131.A O no hydrogen 2.805 N/A LEU 149.A N LEU 103.A O no hydrogen 2.846 N/A PHE 151.A N ASN 101.A O no hydrogen 2.953 N/A SER 154.A OG ASP 157.A OD2 no hydrogen 3.295 N/A THR 155.A OG1 GLU 156.A OE2 no hydrogen 3.291 N/A GLU 156.A N SER 154.A OG no hydrogen 3.365 N/A VAL 158.A N ASN 122.A OD1 no hydrogen 2.979 N/A TYR 159.A N TRP 176.A O no hydrogen 2.892 N/A ASP 160.A N LEU 120.A O no hydrogen 2.921 N/A CYS 161.A N LYS 174.A O no hydrogen 2.869 N/A ARG 162.A N THR 118.A O no hydrogen 2.751 N/A ARG 162.A NH2 THR 118.A OG1 no hydrogen 3.180 N/A VAL 163.A N LEU 172.A O no hydrogen 2.786 N/A GLU 164.A N ASN 116.A O no hydrogen 2.745 N/A HIS 165.A NE2 PRO 112.A O no hydrogen 3.101 N/A GLY 167.A N HIS 165.A ND1 no hydrogen 2.949 N/A LEU 168.A N HIS 165.A O no hydrogen 2.800 N/A LEU 172.A N VAL 163.A O no hydrogen 2.853 N/A LYS 174.A N CYS 161.A O no hydrogen 2.990 N/A HIS 175.A ND1 ASP 160.A OD1 no hydrogen 2.840 N/A HIS 175.A NE2 GLU 177.A OE1 no hydrogen 2.691 N/A TRP 176.A N TYR 159.A O no hydrogen 2.829 N/A