Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2d4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLY 1.A O no hydrogen 2.388 N/A LEU 8.A N GLY 4.A O no hydrogen 2.878 N/A PHE 9.A N SER 5.A O no hydrogen 2.864 N/A PHE 10.A N GLY 6.A O no hydrogen 2.926 N/A ASN 11.A N GLY 7.A O no hydrogen 2.914 N/A ALA 12.A N LEU 8.A O no hydrogen 2.878 N/A LEU 13.A N PHE 9.A O no hydrogen 2.910 N/A LYS 14.A N PHE 10.A O no hydrogen 2.881 N/A ASN 15.A N ASN 11.A O no hydrogen 3.079 N/A CYS 16.A N ALA 12.A O no hydrogen 2.940 N/A LYS 17.A N LEU 13.A O no hydrogen 3.012 N/A GLU 18.A N LYS 14.A O no hydrogen 3.112 N/A ASN 19.A N ASN 15.A O no hydrogen 2.775 N/A ASN 19.A ND2 ASP 164.A OD1 no hydrogen 3.259 N/A PHE 20.A N CYS 16.A O no hydrogen 2.793 N/A THR 21.A N LYS 17.A O no hydrogen 3.308 N/A THR 21.A OG1 LYS 17.A O no hydrogen 3.265 N/A VAL 22.A N GLU 18.A O no hydrogen 3.135 N/A LEU 23.A N ASN 19.A O no hydrogen 3.125 N/A GLN 24.A N PHE 20.A O no hydrogen 2.862 N/A THR 25.A N THR 21.A O no hydrogen 2.987 N/A THR 25.A OG1 THR 21.A O no hydrogen 2.780 N/A ILE 26.A N VAL 22.A O no hydrogen 3.036 N/A ARG 27.A N LEU 23.A O no hydrogen 2.725 N/A ARG 27.A NE GLN 28.A OE1 no hydrogen 3.076 N/A GLN 28.A N GLN 24.A O no hydrogen 3.088 N/A GLN 29.A N THR 25.A O no hydrogen 3.229 N/A GLN 29.A NE2 GLN 97.A OE1 no hydrogen 2.978 N/A GLN 30.A N ILE 26.A O no hydrogen 2.996 N/A SER 31.A N ARG 27.A O no hydrogen 2.862 N/A SER 31.A OG GLN 28.A O no hydrogen 3.492 N/A THR 32.A N GLN 28.A O no hydrogen 3.058 N/A THR 32.A OG1 GLN 28.A O no hydrogen 2.875 N/A THR 32.A OG1 GLN 29.A O no hydrogen 3.265 N/A LEU 33.A N GLN 29.A O no hydrogen 2.947 N/A ASN 34.A N GLN 30.A O no hydrogen 2.945 N/A GLY 35.A N SER 31.A O no hydrogen 2.950 N/A SER 36.A N THR 32.A O no hydrogen 2.935 N/A SER 36.A OG ALA 81.A O no hydrogen 2.931 N/A TRP 37.A N LEU 33.A O no hydrogen 2.925 N/A VAL 38.A N ASN 34.A O no hydrogen 2.909 N/A ALA 39.A N GLY 35.A O no hydrogen 3.101 N/A LEU 40.A N SER 36.A O no hydrogen 2.933 N/A LEU 41.A N TRP 37.A O no hydrogen 2.904 N/A GLN 42.A N VAL 38.A O no hydrogen 2.847 N/A THR 43.A N ALA 39.A O no hydrogen 2.963 N/A THR 43.A OG1 ALA 39.A O no hydrogen 2.738 N/A THR 43.A OG1 SER 77.A OG no hydrogen 2.748 N/A ARG 44.A N LEU 40.A O no hydrogen 2.866 N/A ARG 44.A NH1 GLN 137.A OE1 no hydrogen 2.751 N/A ARG 44.A NH1 GLN 140.A OE1 no hydrogen 2.664 N/A ARG 44.A NH2 GLN 137.A OE1 no hydrogen 2.602 N/A ASN 45.A N LEU 41.A O no hydrogen 2.981 N/A THR 46.A N GLN 42.A O no hydrogen 2.794 N/A THR 46.A OG1 GLN 42.A O no hydrogen 2.925 N/A LEU 47.A N THR 43.A O no hydrogen 2.985 N/A ASN 48.A N ARG 44.A O no hydrogen 3.059 N/A ARG 49.A N ASN 45.A O no hydrogen 2.919 N/A ALA 50.A N THR 46.A O no hydrogen 2.917 N/A GLY 51.A N LEU 47.A O no hydrogen 3.009 N/A ILE 52.A N ASN 48.A O no hydrogen 3.053 N/A ARG 53.A N ARG 49.A O no hydrogen 2.904 N/A ARG 53.A NE ASP 57.A OD1 no hydrogen 2.629 N/A ARG 53.A NE ASP 57.A OD2 no hydrogen 3.105 N/A ARG 53.A NH1 SER 65.A O no hydrogen 2.885 N/A ARG 53.A NH2 ASP 57.A OD1 no hydrogen 3.109 N/A TYR 54.A N ALA 50.A O no hydrogen 2.928 N/A MET 55.A N GLY 51.A O no hydrogen 3.039 N/A MET 56.A N ILE 52.A O no hydrogen 2.815 N/A ASP 57.A N ARG 53.A O no hydrogen 2.861 N/A GLN 58.A N TYR 54.A O no hydrogen 3.208 N/A ASN 59.A N MET 56.A O no hydrogen 3.271 N/A ASN 60.A N ASP 57.A O no hydrogen 3.087 N/A ILE 61.A N MET 56.A O no hydrogen 3.261 N/A THR 66.A N GLU 69.A OE1 no hydrogen 2.957 N/A ALA 68.A N THR 66.A OG1 no hydrogen 2.986 N/A LEU 70.A N THR 66.A O no hydrogen 2.784 N/A MET 71.A N VAL 67.A O no hydrogen 2.807 N/A GLU 72.A N ALA 68.A O no hydrogen 3.086 N/A SER 73.A N GLU 69.A O no hydrogen 2.938 N/A ALA 74.A N LEU 70.A O no hydrogen 2.996 N/A SER 75.A N MET 71.A O no hydrogen 2.965 N/A SER 75.A OG MET 71.A O no hydrogen 3.251 N/A ILE 76.A N GLU 72.A O no hydrogen 3.076 N/A SER 77.A N SER 73.A O no hydrogen 2.926 N/A SER 77.A OG THR 43.A OG1 no hydrogen 2.748 N/A SER 77.A OG SER 73.A O no hydrogen 3.289 N/A SER 77.A OG ALA 74.A O no hydrogen 2.976 N/A LEU 78.A N ALA 74.A O no hydrogen 2.826 N/A LYS 79.A N SER 75.A O no hydrogen 3.032 N/A GLN 80.A N ILE 76.A O no hydrogen 3.036 N/A ALA 81.A N SER 77.A O no hydrogen 2.921 N/A GLU 82.A N LEU 78.A O no hydrogen 2.882 N/A LYS 83.A N LYS 79.A O no hydrogen 2.843 N/A ASN 84.A N GLN 80.A O no hydrogen 3.007 N/A TRP 85.A N ALA 81.A O no hydrogen 2.844 N/A ALA 86.A N GLU 82.A O no hydrogen 2.952 N/A ASP 87.A N LYS 83.A O no hydrogen 3.090 N/A TYR 88.A N ASN 84.A O no hydrogen 2.866 N/A GLU 89.A N TRP 85.A O no hydrogen 2.962 N/A ALA 90.A N ALA 86.A O no hydrogen 3.051 N/A ALA 90.A N ASP 87.A O no hydrogen 3.171 N/A LEU 91.A N TYR 88.A O no hydrogen 3.333 N/A ASP 94.A N GLN 97.A OE1 no hydrogen 3.094 N/A ARG 96.A N ASP 94.A OD1 no hydrogen 2.853 N/A ARG 96.A NE ASP 94.A OD1 no hydrogen 2.803 N/A ARG 96.A NE ASP 94.A OD2 no hydrogen 3.454 N/A ARG 96.A NH2 ASP 94.A OD2 no hydrogen 2.781 N/A GLN 97.A N ASP 94.A O no hydrogen 2.981 N/A GLN 97.A NE2 GLN 29.A OE1 no hydrogen 2.686 N/A GLN 97.A NE2 ASN 154.A OD1 no hydrogen 3.041 N/A SER 98.A N GLN 153.A OE1 no hydrogen 2.802 N/A ALA 101.A N SER 98.A OG no hydrogen 2.883 N/A ALA 102.A N SER 98.A O no hydrogen 3.156 N/A ALA 103.A N THR 99.A O no hydrogen 3.078 N/A GLU 104.A N ALA 100.A O no hydrogen 3.062 N/A ILE 105.A N ALA 101.A O no hydrogen 2.892 N/A LYS 106.A N ALA 102.A O no hydrogen 3.077 N/A LYS 106.A NZ GLU 89.A OE2 no hydrogen 3.369 N/A ARG 107.A N ALA 103.A O no hydrogen 2.890 N/A ARG 107.A NE GLU 104.A OE1 no hydrogen 3.348 N/A ARG 107.A NE GLU 104.A OE2 no hydrogen 2.500 N/A ARG 107.A NH2 GLU 104.A OE1 no hydrogen 2.719 N/A ASN 108.A N GLU 104.A O no hydrogen 3.012 N/A TYR 109.A N ILE 105.A O no hydrogen 2.748 N/A ASP 110.A N LYS 106.A O no hydrogen 2.895 N/A ILE 111.A N ARG 107.A O no hydrogen 3.111 N/A TYR 112.A N ASN 108.A O no hydrogen 3.016 N/A HIS 113.A N TYR 109.A O no hydrogen 2.770 N/A HIS 113.A ND1 ASN 114.A OD1 no hydrogen 2.849 N/A HIS 113.A NE2 GLU 82.A OE1 no hydrogen 2.728 N/A ASN 114.A N ASP 110.A O no hydrogen 2.854 N/A ALA 115.A N ILE 111.A O no hydrogen 2.946 N/A LEU 116.A N TYR 112.A O no hydrogen 3.086 N/A ALA 117.A N HIS 113.A O no hydrogen 3.053 N/A GLU 118.A N ASN 114.A O no hydrogen 2.834 N/A LEU 119.A N ALA 115.A O no hydrogen 2.880 N/A ILE 120.A N LEU 116.A O no hydrogen 3.010 N/A GLN 121.A N ALA 117.A O no hydrogen 3.114 N/A LEU 122.A N GLU 118.A O no hydrogen 2.774 N/A LEU 123.A N LEU 119.A O no hydrogen 3.056 N/A GLY 124.A N ILE 120.A O no hydrogen 3.120 N/A ALA 125.A N LEU 122.A O no hydrogen 3.180 N/A GLY 126.A N LEU 123.A O no hydrogen 3.221 N/A LYS 127.A N LEU 122.A O no hydrogen 2.918 N/A LYS 127.A NZ GLU 130.A OE2 no hydrogen 3.266 N/A PHE 131.A N LYS 127.A O no hydrogen 2.860 N/A PHE 132.A N ILE 128.A O no hydrogen 2.752 N/A ASP 133.A N ASN 129.A O no hydrogen 3.134 N/A ASP 133.A N GLU 130.A O no hydrogen 3.173 N/A GLN 134.A NE2 ALA 115.A O no hydrogen 2.984 N/A GLN 134.A NE2 GLU 118.A OE2 no hydrogen 3.072 N/A THR 136.A OG1 GLN 134.A O no hydrogen 3.404 N/A THR 136.A OG1 GLN 134.A OE1 no hydrogen 2.637 N/A GLN 137.A NE2 ASP 141.A OD2 no hydrogen 2.920 N/A GLN 140.A N THR 136.A O no hydrogen 2.927 N/A ASP 141.A N GLN 137.A O no hydrogen 2.903 N/A GLY 142.A N GLY 138.A O no hydrogen 3.068 N/A PHE 143.A N TYR 139.A O no hydrogen 3.450 N/A GLU 144.A N GLN 140.A O no hydrogen 2.970 N/A LYS 145.A N ASP 141.A O no hydrogen 2.982 N/A GLN 146.A N GLY 142.A O no hydrogen 3.514 N/A TYR 147.A N PHE 143.A O no hydrogen 2.879 N/A VAL 148.A N GLU 144.A O no hydrogen 2.948 N/A ALA 149.A N LYS 145.A O no hydrogen 3.190 N/A TYR 150.A N GLN 146.A O no hydrogen 2.878 N/A MET 151.A N TYR 147.A O no hydrogen 2.947 N/A GLU 152.A N VAL 148.A O no hydrogen 2.930 N/A GLN 153.A N ALA 149.A O no hydrogen 2.872 N/A GLN 153.A NE2 ASN 154.A OD1 no hydrogen 3.452 N/A ASN 154.A N TYR 150.A O no hydrogen 2.952 N/A ASN 154.A ND2 GLN 29.A OE1 no hydrogen 3.460 N/A ASP 155.A N MET 151.A O no hydrogen 2.871 N/A ARG 156.A N GLU 152.A O no hydrogen 3.143 N/A LEU 157.A N GLN 153.A O no hydrogen 3.222 N/A HIS 158.A N ASN 154.A O no hydrogen 2.905 N/A HIS 158.A ND1 ASP 159.A OD1 no hydrogen 2.866 N/A ASP 159.A N ASP 155.A O no hydrogen 2.876 N/A ILE 160.A N ARG 156.A O no hydrogen 2.995 N/A ALA 161.A N LEU 157.A O no hydrogen 3.125 N/A VAL 162.A N HIS 158.A O no hydrogen 2.945 N/A SER 163.A N ASP 159.A O no hydrogen 2.809 N/A SER 163.A OG ASP 159.A O no hydrogen 3.030 N/A ASP 164.A N ILE 160.A O no hydrogen 3.057 N/A ASN 165.A N ALA 161.A O no hydrogen 3.032 N/A ASN 166.A N VAL 162.A O no hydrogen 2.936 N/A ALA 167.A N SER 163.A O no hydrogen 3.172 N/A ALA 167.A N ASP 164.A O no hydrogen 3.048 N/A