Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f39_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE TYR 7.A O no hydrogen 2.867 N/A ARG 4.A NH1 GLU 12.A OE2 no hydrogen 2.978 N/A ARG 4.A NH2 TYR 7.A O no hydrogen 2.963 N/A ARG 4.A NH2 GLU 12.A OE2 no hydrogen 2.734 N/A TYR 7.A OH GLN 68.A OE1 no hydrogen 2.498 N/A THR 9.A OG1 GLU 10.A OE1 no hydrogen 3.462 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.816 N/A VAL 11.A N SER 8.A OG no hydrogen 3.128 N/A GLU 12.A N SER 8.A O no hydrogen 3.000 N/A ALA 13.A N THR 9.A O no hydrogen 3.025 N/A ALA 14.A N GLU 10.A O no hydrogen 3.028 N/A VAL 15.A N VAL 11.A O no hydrogen 2.822 N/A ASN 16.A N GLU 12.A O no hydrogen 3.175 N/A ASN 16.A ND2 ARG 74.A O no hydrogen 3.108 N/A ARG 17.A N ALA 13.A O no hydrogen 3.058 N/A LEU 18.A N ALA 14.A O no hydrogen 2.908 N/A VAL 19.A N VAL 15.A O no hydrogen 2.879 N/A ASN 20.A N ASN 16.A O no hydrogen 3.145 N/A ASN 20.A ND2 ASP 79.A O no hydrogen 3.094 N/A LEU 21.A N ARG 17.A O no hydrogen 2.973 N/A TYR 22.A N LEU 18.A O no hydrogen 2.953 N/A LEU 23.A N VAL 19.A O no hydrogen 2.985 N/A ARG 24.A N ASN 20.A O no hydrogen 2.823 N/A ALA 25.A N LEU 21.A O no hydrogen 2.884 N/A SER 26.A N TYR 22.A O no hydrogen 2.870 N/A SER 26.A OG.A ALA 54.A O no hydrogen 2.704 N/A SER 26.A OG.B LEU 23.A O no hydrogen 2.822 N/A TYR 27.A N LEU 23.A O no hydrogen 2.969 N/A THR 28.A N ARG 24.A O no hydrogen 2.942 N/A THR 28.A OG1 ARG 24.A O no hydrogen 3.201 N/A TYR 29.A N ALA 25.A O no hydrogen 2.997 N/A TYR 29.A OH GLU 102.A OE2 no hydrogen 2.508 N/A LEU 30.A N SER 26.A O no hydrogen 2.951 N/A SER 31.A N TYR 27.A O no hydrogen 3.061 N/A LEU 32.A N THR 28.A O no hydrogen 2.827 N/A GLY 33.A N TYR 29.A O no hydrogen 2.796 N/A PHE 34.A N LEU 30.A O no hydrogen 3.001 N/A TYR 35.A N SER 31.A O no hydrogen 2.967 N/A TYR 35.A OH GLY 89.A O no hydrogen 2.715 N/A PHE 36.A N LEU 32.A O no hydrogen 3.260 N/A ASP 37.A N GLY 33.A O no hydrogen 3.278 N/A ASP 37.A N PHE 34.A O no hydrogen 3.239 N/A ARG 38.A N TYR 35.A O no hydrogen 3.106 N/A ARG 38.A NE ASP 40.A OD1 no hydrogen 2.806 N/A ARG 38.A NH1 GLU 87.A OE1 no hydrogen 3.012 N/A ARG 38.A NH2 ASP 40.A OD1 no hydrogen 3.183 N/A ARG 38.A NH2 ASP 40.A OD2 no hydrogen 2.555 N/A VAL 41.A N ARG 38.A O no hydrogen 3.001 N/A ALA 42.A N ARG 38.A O no hydrogen 2.716 N/A LEU 43.A N PHE 36.A O no hydrogen 2.963 N/A GLY 45.A N GLU 164.A OE2 no hydrogen 2.837 N/A CYS 47.A N LEU 43.A O no hydrogen 2.998 N/A CYS 47.A SG GLY 33.A O no hydrogen 3.210 N/A HIS 48.A N GLU 44.A O no hydrogen 2.862 N/A PHE 49.A N GLY 45.A O no hydrogen 3.094 N/A PHE 50.A N VAL 46.A O no hydrogen 3.106 N/A ARG 51.A N CYS 47.A O no hydrogen 2.900 N/A GLU 52.A N HIS 48.A O no hydrogen 2.998 N/A LEU 53.A N PHE 49.A O no hydrogen 3.162 N/A ALA 54.A N PHE 50.A O no hydrogen 2.889 N/A GLU 55.A N ARG 51.A O no hydrogen 3.190 N/A GLU 56.A N GLU 52.A O no hydrogen 3.044 N/A LYS 57.A N LEU 53.A O no hydrogen 2.977 N/A LYS 57.A NZ GLU 102.A OE1 no hydrogen 2.658 N/A ARG 58.A N ALA 54.A O no hydrogen 3.039 N/A ARG 58.A NH1.B GLU 62.A OE2 no hydrogen 2.981 N/A GLU 59.A N GLU 55.A O no hydrogen 2.907 N/A GLY 60.A N GLU 56.A O no hydrogen 2.875 N/A ALA 61.A N LYS 57.A O no hydrogen 2.986 N/A GLU 62.A N ARG 58.A O no hydrogen 3.004 N/A ARG 63.A N GLU 59.A O no hydrogen 2.966 N/A ARG 63.A NH1 GLU 135.A OE1 no hydrogen 3.329 N/A LEU 64.A N GLY 60.A O no hydrogen 3.094 N/A LEU 65.A N ALA 61.A O no hydrogen 2.990 N/A LYS 66.A N GLU 62.A O no hydrogen 2.878 N/A MET 67.A N ARG 63.A O no hydrogen 2.965 N/A GLN 68.A N LEU 64.A O no hydrogen 2.786 N/A GLN 68.A NE2 GLU 12.A O no hydrogen 3.121 N/A GLN 68.A NE2 ASN 16.A OD1 no hydrogen 3.014 N/A ASN 69.A N LEU 65.A O no hydrogen 3.122 N/A ASN 69.A ND2 GLY 73.A O no hydrogen 3.604 N/A GLN 70.A N LYS 66.A O no hydrogen 2.876 N/A ARG 71.A N MET 67.A O no hydrogen 3.010 N/A ARG 71.A NH1 ASP 121.A OD1 no hydrogen 2.931 N/A ARG 71.A NH1 ASP 121.A OD2 no hydrogen 3.475 N/A ARG 71.A NH2 GLN 5.A O no hydrogen 3.062 N/A ARG 71.A NH2 ASP 121.A OD1 no hydrogen 3.384 N/A GLY 72.A N ASN 69.A O no hydrogen 3.087 N/A GLY 73.A N GLN 68.A O no hydrogen 2.910 N/A ARG 74.A N GLU 12.A OE1 no hydrogen 2.823 N/A ARG 74.A NH1 GLY 73.A O no hydrogen 2.790 N/A LEU 76.A N ASN 16.A OD1 no hydrogen 3.149 N/A GLN 85.A NE2.A GLU 87.A O no hydrogen 3.017 N/A TRP 88.A NE1 SER 31.A OG no hydrogen 2.901 N/A THR 90.A N ASP 93.A OD2 no hydrogen 3.101 N/A THR 91.A N GLU 160.A OE2 no hydrogen 2.741 N/A THR 91.A OG1 GLU 160.A OE2 no hydrogen 2.731 N/A ASP 93.A N THR 90.A OG1 no hydrogen 3.150 N/A ALA 94.A N THR 90.A O no hydrogen 2.987 N/A MET 95.A N THR 91.A O no hydrogen 2.892 N/A LYS 96.A N LEU 92.A O no hydrogen 3.000 N/A ALA 97.A N ASP 93.A O no hydrogen 2.966 N/A ALA 98.A N ALA 94.A O no hydrogen 2.866 N/A ILE 99.A N MET 95.A O no hydrogen 2.995 N/A VAL 100.A N LYS 96.A O no hydrogen 2.934 N/A LEU 101.A N ALA 97.A O no hydrogen 2.929 N/A GLU 102.A N ALA 98.A O no hydrogen 2.879 N/A LYS 103.A N ILE 99.A O no hydrogen 2.939 N/A SER 104.A N VAL 100.A O no hydrogen 3.037 N/A SER 104.A OG.A LEU 101.A O no hydrogen 2.582 N/A SER 104.A OG.B VAL 100.A O no hydrogen 3.126 N/A LEU 105.A N LEU 101.A O no hydrogen 3.013 N/A ASN 106.A N GLU 102.A O no hydrogen 2.798 N/A GLN 107.A N LYS 103.A O no hydrogen 2.954 N/A GLN 107.A NE2 ASP 111.A OD1 no hydrogen 2.960 N/A ALA 108.A N SER 104.A O no hydrogen 3.007 N/A LEU 109.A N LEU 105.A O no hydrogen 2.887 N/A LEU 110.A N ASN 106.A O no hydrogen 2.886 N/A ASP 111.A N GLN 107.A O no hydrogen 2.822 N/A LEU 112.A N ALA 108.A O no hydrogen 2.963 N/A HIS 113.A N LEU 109.A O no hydrogen 2.875 N/A HIS 113.A NE2 GLU 129.A OE1 no hydrogen 2.385 N/A ALA 114.A N LEU 110.A O no hydrogen 2.942 N/A LEU 115.A N ASP 111.A O no hydrogen 2.906 N/A GLY 116.A N LEU 112.A O no hydrogen 2.847 N/A SER 117.A N HIS 113.A O no hydrogen 2.870 N/A SER 117.A OG.A HIS 113.A O no hydrogen 3.076 N/A ALA 118.A N ALA 114.A O no hydrogen 2.904 N/A GLN 119.A N LEU 115.A O no hydrogen 2.837 N/A ALA 120.A N SER 117.A O no hydrogen 2.961 N/A ASP 121.A N GLY 116.A O no hydrogen 2.811 N/A LEU 124.A N ASP 121.A OD1 no hydrogen 3.234 N/A CYS 125.A N ASP 121.A O no hydrogen 3.198 N/A CYS 125.A SG HIS 113.A O no hydrogen 3.594 N/A CYS 125.A SG SER 117.A OG.A no hydrogen 3.495 N/A CYS 125.A SG ASP 121.A O no hydrogen 3.608 N/A ASP 126.A N PRO 122.A O no hydrogen 2.922 N/A PHE 127.A N HIS 123.A O no hydrogen 2.923 N/A LEU 128.A N LEU 124.A O no hydrogen 3.055 N/A GLU 129.A N CYS 125.A O no hydrogen 3.090 N/A SER 130.A N ASP 126.A O no hydrogen 2.731 N/A SER 130.A OG ASP 126.A O no hydrogen 2.960 N/A SER 130.A OG ASP 126.A OD2 no hydrogen 3.273 N/A HIS 131.A N PHE 127.A O no hydrogen 2.976 N/A PHE 132.A N LEU 128.A O no hydrogen 3.061 N/A LEU 133.A N LEU 128.A O no hydrogen 2.960 N/A GLU 136.A N PHE 132.A O no hydrogen 2.925 N/A VAL 137.A N LEU 133.A O no hydrogen 3.070 N/A LYS 138.A N ASP 134.A O no hydrogen 2.937 N/A LEU 139.A N GLU 135.A O no hydrogen 2.949 N/A ILE 140.A N GLU 136.A O no hydrogen 2.916 N/A LYS 141.A N VAL 137.A O no hydrogen 3.046 N/A LYS 141.A NZ ASP 145.A OD1 no hydrogen 2.924 N/A LYS 141.A NZ ASP 145.A OD2 no hydrogen 3.008 N/A LYS 142.A N LYS 138.A O no hydrogen 3.030 N/A MET 143.A N LEU 139.A O no hydrogen 2.908 N/A GLY 144.A N ILE 140.A O no hydrogen 2.823 N/A ASP 145.A N LYS 141.A O no hydrogen 2.877 N/A HIS 146.A N LYS 142.A O no hydrogen 2.917 N/A LEU 147.A N MET 143.A O no hydrogen 2.877 N/A THR 148.A N GLY 144.A O no hydrogen 2.956 N/A THR 148.A OG1 GLY 144.A O no hydrogen 3.179 N/A ASN 149.A N ASP 145.A O no hydrogen 3.100 N/A ASN 149.A ND2 ASP 145.A O no hydrogen 2.984 N/A ILE 150.A N HIS 146.A O no hydrogen 2.781 N/A GLN 151.A N LEU 147.A O no hydrogen 2.886 N/A ARG 152.A N THR 148.A O no hydrogen 2.960 N/A ARG 152.A NH2.A ASN 149.A OD1 no hydrogen 2.963 N/A LEU 153.A N ASN 149.A O no hydrogen 3.111 N/A VAL 154.A N GLN 151.A O no hydrogen 3.382 N/A GLY 159.A N GLN 155.A O no hydrogen 3.041 N/A GLU 160.A N ALA 156.A O no hydrogen 2.901 N/A TYR 161.A N GLY 157.A O no hydrogen 3.078 N/A LEU 162.A N LEU 158.A O no hydrogen 2.981 N/A PHE 163.A N GLY 159.A O no hydrogen 2.984 N/A GLU 164.A N GLU 160.A O no hydrogen 3.106 N/A ARG 165.A N TYR 161.A O no hydrogen 2.918 N/A ARG 165.A NE GLU 164.A OE1 no hydrogen 2.919 N/A ARG 165.A NH2 GLU 164.A OE1 no hydrogen 3.482 N/A ARG 165.A NH2 GLU 164.A OE2 no hydrogen 2.876 N/A LEU 166.A N LEU 162.A O no hydrogen 2.777 N/A THR 167.A N PHE 163.A O no hydrogen 2.925 N/A LEU 168.A N PHE 163.A O no hydrogen 3.330 N/A