Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 174.A OD2 no hydrogen 3.086 N/A LYS 3.A NZ LYS 5.A O no hydrogen 2.748 N/A LYS 3.A NZ THR 172.A O no hydrogen 2.745 N/A ASN 10.A N ASP 7.A O no hydrogen 3.119 N/A ASN 10.A ND2 ASP 7.A OD2 no hydrogen 2.870 N/A ARG 12.A N ASN 10.A OD1 no hydrogen 2.963 N/A ARG 12.A NH2 ASP 178.A OD1 no hydrogen 2.714 N/A TRP 13.A N ASN 10.A O no hydrogen 3.041 N/A TRP 13.A NE1 TRP 170.A O no hydrogen 2.725 N/A ILE 14.A N ASN 10.A O no hydrogen 3.248 N/A LYS 15.A N PRO 11.A O no hydrogen 2.874 N/A ARG 16.A N ARG 12.A O no hydrogen 2.932 N/A ARG 16.A NE PRO 186.A OXT no hydrogen 2.778 N/A ARG 16.A NH1 PHE 169.A O no hydrogen 2.709 N/A ARG 16.A NH2 ASP 178.A OD1 no hydrogen 3.131 N/A ARG 16.A NH2 PRO 186.A O no hydrogen 2.989 N/A HIS 17.A N TRP 13.A O no hydrogen 2.981 N/A HIS 17.A NE2 TRP 170.A O no hydrogen 2.811 N/A LYS 18.A N ILE 14.A O no hydrogen 2.880 N/A LYS 18.A NZ ASP 22.A OD1 no hydrogen 2.789 N/A LYS 18.A NZ ASP 22.A OD2 no hydrogen 3.175 N/A HIS 19.A N LYS 15.A O no hydrogen 2.881 N/A MET 20.A N ARG 16.A O no hydrogen 3.008 N/A PHE 21.A N HIS 17.A O no hydrogen 2.885 N/A ASP 22.A N LYS 18.A O no hydrogen 2.880 N/A PHE 23.A N HIS 19.A O no hydrogen 2.982 N/A LEU 24.A N MET 20.A O no hydrogen 2.900 N/A ASP 25.A N ASP 22.A O no hydrogen 3.050 N/A GLY 28.A N ASP 25.A OD1 no hydrogen 2.881 N/A GLY 30.A N ASP 25.A OD2 no hydrogen 2.767 N/A LYS 31.A N ASN 29.A OD1 no hydrogen 3.228 N/A ILE 32.A N ILE 78.A O no hydrogen 3.091 N/A THR 33.A N GLU 36.A OE1 no hydrogen 3.081 N/A THR 33.A OG1 ASP 35.A OD1 no hydrogen 3.554 N/A GLU 36.A N THR 33.A O no hydrogen 3.246 N/A GLU 36.A N THR 33.A OG1 no hydrogen 3.213 N/A ILE 37.A N THR 33.A O no hydrogen 3.400 N/A VAL 38.A N LEU 34.A O no hydrogen 2.893 N/A SER 39.A N ASP 35.A O no hydrogen 2.903 N/A SER 39.A OG ASP 43.A OD2 no hydrogen 2.858 N/A LYS 40.A N GLU 36.A O no hydrogen 2.909 N/A LYS 40.A NZ SER 133.A O no hydrogen 2.769 N/A ALA 41.A N ILE 37.A O no hydrogen 2.934 N/A SER 42.A N VAL 38.A O no hydrogen 2.850 N/A SER 42.A OG GLN 60.A OE1 no hydrogen 2.623 N/A ASP 44.A N SER 39.A O no hydrogen 3.122 N/A ILE 45.A N LYS 40.A O no hydrogen 2.959 N/A CYS 46.A N ALA 41.A O no hydrogen 3.065 N/A CYS 46.A SG ALA 41.A O no hydrogen 3.453 N/A CYS 46.A SG HIS 59.A ND1 no hydrogen 3.499 N/A LYS 48.A N ASP 44.A O no hydrogen 3.155 N/A LYS 48.A NZ ASP 44.A OD1 no hydrogen 2.909 N/A LEU 49.A N ILE 45.A O no hydrogen 2.936 N/A GLU 50.A N ALA 47.A O no hydrogen 3.007 N/A ALA 51.A N CYS 46.A O no hydrogen 3.118 N/A THR 52.A N GLN 55.A OE1 no hydrogen 3.044 N/A THR 52.A OG1 GLU 54.A OE1 no hydrogen 3.553 N/A GLN 55.A N THR 52.A OG1 no hydrogen 3.106 N/A THR 56.A N THR 52.A O no hydrogen 2.851 N/A THR 56.A OG1 ALA 51.A O no hydrogen 3.513 N/A THR 56.A OG1 THR 52.A O no hydrogen 2.874 N/A LYS 57.A N PRO 53.A O no hydrogen 2.901 N/A ARG 58.A N GLU 54.A O no hydrogen 2.927 N/A HIS 59.A N GLN 55.A O no hydrogen 2.913 N/A GLN 60.A N THR 56.A O no hydrogen 2.915 N/A VAL 61.A N LYS 57.A O no hydrogen 2.903 N/A CYS 62.A N ARG 58.A O no hydrogen 2.960 N/A CYS 62.A SG ARG 58.A O no hydrogen 3.301 N/A CYS 62.A SG GLU 108.A O no hydrogen 3.569 N/A VAL 63.A N HIS 59.A O no hydrogen 2.915 N/A GLU 64.A N GLN 60.A O no hydrogen 2.891 N/A ALA 65.A N VAL 61.A O no hydrogen 2.940 N/A PHE 66.A N CYS 62.A O no hydrogen 2.918 N/A PHE 67.A N VAL 63.A O no hydrogen 2.932 N/A ARG 68.A N GLU 64.A O no hydrogen 2.912 N/A ARG 68.A NE GLU 73.A OE2 no hydrogen 2.896 N/A ARG 68.A NH2 GLU 73.A OE1 no hydrogen 3.052 N/A ARG 68.A NH2 GLU 73.A OE2 no hydrogen 3.534 N/A GLY 69.A N ALA 65.A O no hydrogen 2.941 N/A CYS 70.A N PHE 67.A O no hydrogen 3.014 N/A CYS 70.A SG.A PHE 67.A O no hydrogen 3.211 N/A GLY 71.A N ARG 68.A O no hydrogen 3.001 N/A MET 72.A N PHE 67.A O no hydrogen 3.117 N/A TYR 74.A N GLU 73.A OE1 no hydrogen 2.791 N/A TYR 74.A OH GLU 64.A OE2 no hydrogen 2.363 N/A GLY 75.A N ASP 35.A OD1 no hydrogen 2.819 N/A LYS 76.A N GLU 73.A O no hydrogen 3.161 N/A LYS 76.A NZ GLY 71.A O no hydrogen 2.968 N/A ILE 78.A N ILE 32.A O no hydrogen 2.915 N/A TYR 83.A N ALA 79.A O no hydrogen 3.125 N/A LEU 84.A N PHE 80.A O no hydrogen 2.868 N/A ASP 85.A N PRO 81.A O no hydrogen 2.957 N/A GLY 86.A N GLN 82.A O no hydrogen 2.917 N/A TRP 87.A N TYR 83.A O no hydrogen 2.915 N/A TRP 87.A NE1 TYR 83.A OH no hydrogen 3.009 N/A LYS 88.A N LEU 84.A O no hydrogen 2.923 N/A GLN 89.A N ASP 85.A O no hydrogen 2.992 N/A LEU 90.A N GLY 86.A O no hydrogen 2.898 N/A ALA 91.A N TRP 87.A O no hydrogen 2.894 N/A THR 92.A N LYS 88.A O no hydrogen 2.967 N/A THR 92.A OG1 LYS 88.A O no hydrogen 2.891 N/A SER 93.A N GLN 89.A O no hydrogen 2.958 N/A GLU 94.A N LEU 90.A O no hydrogen 2.874 N/A LEU 95.A N ALA 91.A O no hydrogen 2.911 N/A LYS 96.A N THR 92.A O no hydrogen 2.985 N/A LYS 97.A N SER 93.A O no hydrogen 2.921 N/A TRP 98.A N GLU 94.A O no hydrogen 2.874 N/A ALA 99.A N LEU 95.A O no hydrogen 2.928 N/A ARG 100.A N LYS 96.A O no hydrogen 3.243 N/A ARG 100.A NE GLU 102.A OE2 no hydrogen 2.673 N/A ASN 101.A N TRP 98.A O no hydrogen 3.049 N/A GLU 102.A N LYS 97.A O no hydrogen 2.818 N/A LEU 105.A N GLU 94.A OE2 no hydrogen 2.777 N/A ILE 106.A N GLU 94.A OE1 no hydrogen 3.039 N/A ARG 107.A N THR 104.A OG1 no hydrogen 3.087 N/A ARG 107.A NE ASP 111.A OD1 no hydrogen 2.953 N/A ARG 107.A NE ASP 111.A OD2 no hydrogen 3.422 N/A ARG 107.A NH1 ASP 160.A OD1 no hydrogen 2.852 N/A GLU 108.A N THR 104.A O no hydrogen 3.073 N/A TRP 109.A N LEU 105.A O no hydrogen 2.932 N/A TRP 109.A NE1 HIS 59.A NE2 no hydrogen 3.219 N/A GLY 110.A N ILE 106.A O no hydrogen 2.933 N/A ASP 111.A N ARG 107.A O no hydrogen 2.860 N/A ALA 112.A N GLU 108.A O no hydrogen 2.955 N/A VAL 113.A N TRP 109.A O no hydrogen 2.955 N/A PHE 114.A N GLY 110.A O no hydrogen 2.884 N/A ASP 115.A N ASP 111.A O no hydrogen 2.908 N/A ILE 116.A N ALA 112.A O no hydrogen 2.976 N/A PHE 117.A N VAL 113.A O no hydrogen 3.329 N/A ASP 118.A N ASP 115.A O no hydrogen 3.225 N/A ILE 121.A N LEU 157.A O no hydrogen 3.099 N/A THR 122.A N GLU 125.A OE1 no hydrogen 2.827 N/A GLU 125.A N THR 122.A OG1 no hydrogen 3.013 N/A TRP 126.A N THR 122.A O no hydrogen 2.894 N/A LYS 127.A N LEU 123.A O no hydrogen 2.891 N/A LYS 127.A NZ GLN 139.A OE1 no hydrogen 3.167 N/A LYS 127.A NZ GLU 143.A OE2 no hydrogen 2.605 N/A ALA 128.A N ASP 124.A O no hydrogen 2.910 N/A TYR 129.A N GLU 125.A O no hydrogen 2.920 N/A GLY 130.A N TRP 126.A O no hydrogen 2.866 N/A LYS 131.A N LYS 127.A O no hydrogen 2.932 N/A ILE 132.A N ALA 128.A O no hydrogen 2.906 N/A SER 133.A N TYR 129.A O no hydrogen 2.881 N/A SER 133.A OG TYR 129.A O no hydrogen 2.740 N/A GLY 134.A N GLY 130.A O no hydrogen 3.007 N/A ILE 135.A N SER 133.A OG no hydrogen 3.271 N/A SER 136.A N GLY 130.A O no hydrogen 3.126 N/A ASP 141.A N SER 138.A OG no hydrogen 3.328 N/A CYS 142.A N SER 138.A O no hydrogen 3.197 N/A CYS 142.A SG TRP 126.A O no hydrogen 3.981 N/A CYS 142.A SG SER 136.A O no hydrogen 3.219 N/A CYS 142.A SG SER 136.A OG no hydrogen 3.402 N/A CYS 142.A SG SER 138.A O no hydrogen 3.574 N/A GLU 143.A N GLN 139.A O no hydrogen 2.913 N/A ALA 144.A N GLU 140.A O no hydrogen 2.836 N/A THR 145.A N ASP 141.A O no hydrogen 2.898 N/A THR 145.A OG1 ASP 141.A O no hydrogen 3.096 N/A THR 145.A OG1 LEU 180.A O no hydrogen 2.529 N/A PHE 146.A N CYS 142.A O no hydrogen 2.941 N/A ARG 147.A N GLU 143.A O no hydrogen 2.910 N/A HIS 148.A N ALA 144.A O no hydrogen 2.910 N/A HIS 148.A NE2 GLN 165.A OE1 no hydrogen 2.783 N/A CYS 149.A N THR 145.A O no hydrogen 3.082 N/A CYS 149.A SG THR 145.A O no hydrogen 3.517 N/A ASP 150.A N GLU 161.A OE2 no hydrogen 2.748 N/A ASP 152.A N ASP 156.A O no hydrogen 2.809 N/A GLY 155.A N ASP 152.A O no hydrogen 3.184 N/A ASP 156.A N ASP 152.A OD1 no hydrogen 2.825 N/A LEU 157.A N ILE 121.A O no hydrogen 3.013 N/A ASP 160.A N ASP 158.A OD1 no hydrogen 3.088 N/A MET 162.A N ASP 158.A O no hydrogen 3.069 N/A THR 163.A N VAL 159.A O no hydrogen 2.893 N/A THR 163.A OG1 VAL 159.A O no hydrogen 2.773 N/A ARG 164.A N.A ASP 160.A O no hydrogen 2.937 N/A ARG 164.A N.B ASP 160.A O no hydrogen 2.938 N/A ARG 164.A NH2.A GLU 161.A OE1 no hydrogen 2.666 N/A GLN 165.A N GLU 161.A O no hydrogen 2.913 N/A GLN 165.A NE2 GLU 161.A OE2 no hydrogen 2.900 N/A HIS 166.A N MET 162.A O no hydrogen 2.884 N/A HIS 166.A NE2 TYR 181.A OH no hydrogen 2.539 N/A LEU 167.A N THR 163.A O no hydrogen 2.893 N/A GLY 168.A N ARG 164.A O.A no hydrogen 2.991 N/A GLY 168.A N ARG 164.A O.B no hydrogen 2.985 N/A PHE 169.A N GLN 165.A O no hydrogen 2.863 N/A TRP 170.A N HIS 166.A O no hydrogen 2.900 N/A TYR 171.A N LEU 167.A O no hydrogen 3.175 N/A TYR 171.A OH GLU 94.A OE1 no hydrogen 2.613 N/A THR 172.A OG1 LYS 3.A O no hydrogen 3.142 N/A THR 172.A OG1 GLY 168.A O no hydrogen 3.542 N/A ASP 174.A N GLY 168.A O no hydrogen 2.823 N/A GLU 176.A N ASP 174.A OD1 no hydrogen 2.965 N/A ALA 177.A N ASP 174.A O no hydrogen 2.759 N/A ASP 178.A N PRO 175.A O no hydrogen 3.220 N/A LEU 180.A N ALA 177.A O no hydrogen 3.090 N/A TYR 181.A OH HIS 166.A NE2 no hydrogen 2.539 N/A GLY 182.A N GLY 179.A O no hydrogen 3.033 N/A ASN 183.A N ASP 141.A OD1 no hydrogen 2.896 N/A GLY 184.A N TYR 181.A O no hydrogen 2.923 N/A