Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n1g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASP 166.A OD2 no hydrogen 2.865 N/A TYR 4.A N ALA 1.A O no hydrogen 3.042 N/A TYR 4.A OH ASP 168.A OD2 no hydrogen 3.071 N/A ALA 5.A N SER 2.A O no hydrogen 3.137 N/A THR 10.A OG1 TYR 179.A O no hydrogen 3.495 N/A ASN 14.A ND2 ASP 11.A O no hydrogen 3.145 N/A ARG 16.A NH1 LEU 181.A O no hydrogen 3.084 N/A ARG 16.A NH1 ASP 186.A OD1 no hydrogen 2.910 N/A ARG 16.A NH1 ASP 186.A OD2 no hydrogen 3.369 N/A ARG 16.A NH2 ASP 186.A OD2 no hydrogen 2.904 N/A TRP 17.A N ASN 14.A OD1 no hydrogen 3.045 N/A ILE 18.A N ASN 14.A O no hydrogen 3.101 N/A LYS 19.A N PRO 15.A O no hydrogen 2.917 N/A ARG 20.A N ARG 16.A O no hydrogen 3.004 N/A ARG 20.A NE PRO 194.A OXT no hydrogen 2.824 N/A ARG 20.A NH1 PHE 177.A O no hydrogen 2.842 N/A ARG 20.A NH2 ASP 186.A OD1 no hydrogen 2.956 N/A ARG 20.A NH2 PRO 194.A O no hydrogen 2.800 N/A ARG 20.A NH2 PRO 194.A OXT no hydrogen 3.464 N/A HIS 21.A N TRP 17.A O no hydrogen 3.089 N/A LYS 22.A N ILE 18.A O no hydrogen 2.888 N/A LYS 22.A NZ ASP 26.A OD1 no hydrogen 3.388 N/A LYS 22.A NZ ASP 26.A OD2 no hydrogen 3.261 N/A HIS 23.A N LYS 19.A O no hydrogen 3.005 N/A HIS 23.A ND1 LYS 19.A O no hydrogen 2.887 N/A MET 24.A N ARG 20.A O no hydrogen 3.187 N/A PHE 25.A N HIS 21.A O no hydrogen 2.829 N/A ASP 26.A N LYS 22.A O no hydrogen 2.928 N/A PHE 27.A N HIS 23.A O no hydrogen 3.024 N/A LEU 28.A N MET 24.A O no hydrogen 2.874 N/A ASP 29.A N PHE 25.A O no hydrogen 2.970 N/A ILE 30.A N LEU 28.A O no hydrogen 2.751 N/A ASN 31.A N GLU 40.A OE2 no hydrogen 3.178 N/A GLY 32.A N ASP 29.A O no hydrogen 2.910 N/A ASN 33.A N ASP 29.A OD1 no hydrogen 3.222 N/A ASN 33.A N ASN 31.A OD1 no hydrogen 3.238 N/A ASN 33.A ND2 GLU 81.A OE1 no hydrogen 3.241 N/A GLY 34.A N ASP 29.A OD2 no hydrogen 2.784 N/A LYS 35.A N ASN 33.A OD1 no hydrogen 3.088 N/A ILE 36.A N ILE 82.A O no hydrogen 2.755 N/A THR 37.A N GLU 40.A OE1 no hydrogen 3.345 N/A THR 37.A OG1 ASP 39.A OD1 no hydrogen 3.377 N/A LEU 38.A N GLU 77.A O no hydrogen 3.468 N/A GLU 40.A N THR 37.A OG1 no hydrogen 3.080 N/A ILE 41.A N THR 37.A O no hydrogen 3.020 N/A VAL 42.A N LEU 38.A O no hydrogen 2.859 N/A SER 43.A N ASP 39.A O no hydrogen 2.972 N/A LYS 44.A N GLU 40.A O no hydrogen 3.047 N/A LYS 44.A NZ PHE 27.A O no hydrogen 3.110 N/A ALA 45.A N ILE 41.A O no hydrogen 2.790 N/A SER 46.A N VAL 42.A O no hydrogen 2.892 N/A SER 46.A OG HIS 63.A ND1 no hydrogen 2.902 N/A ASP 47.A N VAL 42.A O no hydrogen 2.853 N/A ASP 48.A N SER 43.A O no hydrogen 3.062 N/A CYS 50.A N SER 46.A O no hydrogen 2.923 N/A CYS 50.A SG SER 46.A O no hydrogen 3.437 N/A CYS 50.A SG HIS 63.A ND1 no hydrogen 3.379 N/A ALA 51.A N ASP 47.A O no hydrogen 3.035 N/A LYS 52.A N ASP 48.A O no hydrogen 2.934 N/A LEU 53.A N ILE 49.A O no hydrogen 2.940 N/A GLU 54.A N ALA 51.A O no hydrogen 3.087 N/A ALA 55.A N CYS 50.A O no hydrogen 3.010 N/A THR 56.A N GLN 59.A OE1 no hydrogen 2.910 N/A GLN 59.A N THR 56.A OG1 no hydrogen 3.062 N/A GLN 59.A NE2 ASP 119.A OD2 no hydrogen 3.036 N/A THR 60.A N THR 56.A O no hydrogen 2.841 N/A THR 60.A OG1 THR 56.A O no hydrogen 2.893 N/A LYS 61.A N PRO 57.A O no hydrogen 2.891 N/A ARG 62.A N GLU 58.A O no hydrogen 3.001 N/A HIS 63.A N GLN 59.A O no hydrogen 2.943 N/A HIS 63.A ND1 SER 46.A OG no hydrogen 2.902 N/A GLN 64.A N THR 60.A O no hydrogen 2.883 N/A GLN 64.A NE2 GLU 68.A OE2 no hydrogen 2.921 N/A VAL 65.A N LYS 61.A O no hydrogen 2.927 N/A CYS 66.A N ARG 62.A O no hydrogen 3.140 N/A CYS 66.A SG ARG 62.A O no hydrogen 3.413 N/A CYS 66.A SG GLU 112.A O no hydrogen 3.640 N/A VAL 67.A N HIS 63.A O no hydrogen 3.004 N/A GLU 68.A N GLN 64.A O no hydrogen 2.834 N/A ALA 69.A N VAL 65.A O no hydrogen 2.962 N/A PHE 70.A N CYS 66.A O no hydrogen 2.928 N/A PHE 71.A N VAL 67.A O no hydrogen 2.945 N/A ARG 72.A N GLU 68.A O no hydrogen 2.884 N/A ARG 72.A NE GLU 77.A OE1 no hydrogen 3.408 N/A ARG 72.A NE GLU 77.A OE2 no hydrogen 2.775 N/A ARG 72.A NH2 GLU 77.A OE1 no hydrogen 2.830 N/A GLY 73.A N ALA 69.A O no hydrogen 3.005 N/A CYS 74.A N PHE 71.A O no hydrogen 2.997 N/A CYS 74.A SG PHE 70.A O no hydrogen 3.945 N/A GLY 75.A N ARG 72.A O no hydrogen 2.959 N/A MET 76.A N PHE 71.A O no hydrogen 2.990 N/A TYR 78.A N GLU 77.A OE1 no hydrogen 2.897 N/A TYR 78.A OH GLU 68.A OE2 no hydrogen 2.563 N/A GLY 79.A N ASP 39.A OD1 no hydrogen 2.837 N/A LYS 80.A N GLU 77.A O no hydrogen 3.121 N/A ILE 82.A N ILE 36.A O no hydrogen 2.835 N/A TYR 87.A N ALA 83.A O no hydrogen 2.970 N/A LEU 88.A N PHE 84.A O no hydrogen 2.894 N/A ASP 89.A N PRO 85.A O no hydrogen 2.976 N/A GLY 90.A N GLN 86.A O no hydrogen 3.011 N/A TRP 91.A N TYR 87.A O no hydrogen 2.975 N/A TRP 91.A NE1 TYR 87.A OH no hydrogen 2.951 N/A LYS 92.A N LEU 88.A O no hydrogen 2.924 N/A LYS 92.A NZ ASP 13.A OD2 no hydrogen 3.257 N/A GLN 93.A N ASP 89.A O no hydrogen 3.026 N/A LEU 94.A N GLY 90.A O no hydrogen 2.903 N/A ALA 95.A N TRP 91.A O no hydrogen 2.889 N/A THR 96.A N LYS 92.A O no hydrogen 2.970 N/A THR 96.A OG1 LYS 92.A O no hydrogen 2.852 N/A SER 97.A N GLN 93.A O no hydrogen 2.996 N/A GLU 98.A N LEU 94.A O no hydrogen 2.862 N/A LEU 99.A N ALA 95.A O no hydrogen 2.951 N/A LYS 100.A N THR 96.A O no hydrogen 3.107 N/A LYS 101.A N SER 97.A O no hydrogen 2.927 N/A TRP 102.A N GLU 98.A O no hydrogen 2.922 N/A TRP 102.A NE1 TYR 4.A O no hydrogen 3.113 N/A ALA 103.A N LEU 99.A O no hydrogen 3.070 N/A ARG 104.A N LYS 100.A O no hydrogen 3.119 N/A ARG 104.A N LYS 101.A O no hydrogen 3.097 N/A ASN 105.A N TRP 102.A O no hydrogen 3.141 N/A GLU 106.A N LYS 101.A O no hydrogen 2.860 N/A LEU 109.A N GLU 98.A OE2 no hydrogen 2.841 N/A ILE 110.A N GLU 98.A OE1 no hydrogen 2.944 N/A ARG 111.A N THR 108.A OG1 no hydrogen 3.127 N/A ARG 111.A NE ASP 168.A OD1 no hydrogen 3.084 N/A ARG 111.A NH1 ARG 111.A O no hydrogen 3.160 N/A ARG 111.A NH1 ASP 115.A OD2 no hydrogen 2.400 N/A GLU 112.A N THR 108.A O no hydrogen 3.145 N/A TRP 113.A N LEU 109.A O no hydrogen 2.948 N/A TRP 113.A NE1 HIS 63.A NE2 no hydrogen 3.124 N/A GLY 114.A N ILE 110.A O no hydrogen 2.930 N/A ASP 115.A N ARG 111.A O no hydrogen 2.995 N/A ALA 116.A N GLU 112.A O no hydrogen 3.112 N/A VAL 117.A N TRP 113.A O no hydrogen 3.007 N/A PHE 118.A N GLY 114.A O no hydrogen 2.868 N/A ASP 119.A N ASP 115.A O no hydrogen 3.061 N/A ILE 120.A N ALA 116.A O no hydrogen 3.291 N/A PHE 121.A N VAL 117.A O no hydrogen 2.937 N/A ASP 122.A N PHE 118.A O no hydrogen 2.845 N/A LYS 123.A N PHE 121.A O no hydrogen 2.874 N/A LYS 123.A NZ LEU 53.A O no hydrogen 2.850 N/A ASP 124.A N GLU 133.A OE2 no hydrogen 3.284 N/A GLY 125.A N ASP 122.A O no hydrogen 3.030 N/A SER 126.A N ASP 122.A OD1 no hydrogen 3.150 N/A SER 126.A N ASP 124.A OD1 no hydrogen 3.066 N/A SER 126.A OG ASP 122.A OD1 no hydrogen 3.328 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 3.047 N/A GLY 127.A N ASP 122.A OD2 no hydrogen 2.808 N/A THR 128.A N SER 126.A OG no hydrogen 3.306 N/A THR 128.A OG1 ASP 164.A OD2 no hydrogen 2.980 N/A ILE 129.A N.A LEU 165.A O no hydrogen 2.826 N/A ILE 129.A N.B LEU 165.A O no hydrogen 2.825 N/A THR 130.A N GLU 133.A OE1 no hydrogen 3.068 N/A THR 130.A OG1 ASP 132.A OD1 no hydrogen 2.536 N/A THR 130.A OG1 GLU 133.A OE1 no hydrogen 3.419 N/A GLU 133.A N THR 130.A O no hydrogen 2.914 N/A TRP 134.A N LEU 131.A O no hydrogen 3.077 N/A TRP 134.A NE1 THR 153.A OG1 no hydrogen 2.970 N/A GLY 138.A N GLN 147.A OE1 no hydrogen 2.810 N/A LYS 139.A N ALA 136.A O no hydrogen 3.009 N/A LYS 139.A NZ PRO 145.A O no hydrogen 2.562 N/A ILE 140.A N ALA 136.A O no hydrogen 3.024 N/A SER 141.A N TYR 137.A O no hydrogen 3.039 N/A SER 141.A OG TYR 137.A O no hydrogen 2.811 N/A SER 141.A OG GLY 138.A O no hydrogen 3.452 N/A GLY 142.A N LYS 139.A O no hydrogen 3.216 N/A SER 144.A N GLY 138.A O no hydrogen 2.839 N/A SER 144.A OG TYR 189.A O no hydrogen 2.605 N/A GLN 147.A N SER 144.A O no hydrogen 3.041 N/A GLN 147.A NE2 ASP 149.A OD1 no hydrogen 2.921 N/A GLN 147.A NE2 LEU 188.A O no hydrogen 3.076 N/A THR 153.A N ASP 149.A O no hydrogen 3.131 N/A THR 153.A OG1 ASP 149.A O no hydrogen 3.509 N/A THR 153.A OG1 CYS 150.A O no hydrogen 3.104 N/A PHE 154.A N CYS 150.A O no hydrogen 2.959 N/A ARG 155.A N GLU 151.A O no hydrogen 2.907 N/A ARG 155.A NE GLU 151.A OE2 no hydrogen 3.367 N/A ARG 155.A NH2 GLU 151.A OE2 no hydrogen 2.919 N/A HIS 156.A N ALA 152.A O no hydrogen 2.992 N/A CYS 157.A N THR 153.A O no hydrogen 2.920 N/A ASP 158.A N PHE 154.A O no hydrogen 2.962 N/A ASP 158.A N ARG 155.A O no hydrogen 3.189 N/A LEU 159.A N CYS 157.A O no hydrogen 2.836 N/A ASP 160.A N GLU 169.A OE2 no hydrogen 3.381 N/A ASN 161.A N ASP 158.A O no hydrogen 2.997 N/A SER 162.A N ASP 158.A OD1 no hydrogen 3.126 N/A SER 162.A N ASP 160.A OD1 no hydrogen 3.152 N/A SER 162.A OG ASP 158.A OD1 no hydrogen 3.324 N/A SER 162.A OG ASP 160.A OD1 no hydrogen 3.144 N/A SER 162.A OG ASP 164.A OD1 no hydrogen 2.623 N/A GLY 163.A N ASP 158.A OD2 no hydrogen 2.707 N/A ASP 164.A N SER 162.A OG no hydrogen 3.337 N/A LEU 165.A N ILE 129.A O.A no hydrogen 2.820 N/A LEU 165.A N ILE 129.A O.B no hydrogen 2.841 N/A ASP 166.A N GLU 169.A OE1 no hydrogen 2.969 N/A GLU 169.A N ASP 166.A OD1 no hydrogen 2.825 N/A MET 170.A N ASP 166.A O no hydrogen 3.047 N/A THR 171.A N VAL 167.A O no hydrogen 2.970 N/A THR 171.A OG1 VAL 167.A O no hydrogen 3.000 N/A ARG 172.A N ASP 168.A O no hydrogen 2.948 N/A ARG 172.A NE ALA 5.A O no hydrogen 2.897 N/A ARG 172.A NH1 ARG 172.A O no hydrogen 2.957 N/A ARG 172.A NH1 ASP 182.A OD2 no hydrogen 2.907 N/A ARG 172.A NH2 ALA 5.A O no hydrogen 3.292 N/A ARG 172.A NH2 ASP 182.A OD2 no hydrogen 3.257 N/A GLN 173.A N GLU 169.A O no hydrogen 3.038 N/A HIS 174.A N MET 170.A O no hydrogen 2.995 N/A LEU 175.A N THR 171.A O no hydrogen 2.873 N/A GLY 176.A N ARG 172.A O no hydrogen 2.917 N/A PHE 177.A N GLN 173.A O no hydrogen 2.989 N/A PHE 177.A N HIS 174.A O no hydrogen 3.088 N/A TRP 178.A N HIS 174.A O no hydrogen 2.979 N/A TRP 178.A NE1 TYR 189.A OH no hydrogen 2.824 N/A TYR 179.A N LEU 175.A O no hydrogen 2.834 N/A TYR 179.A OH GLU 98.A OE1 no hydrogen 2.753 N/A THR 180.A N LEU 175.A O no hydrogen 3.320 N/A THR 180.A OG1 ASP 182.A OD1 no hydrogen 2.780 N/A ASP 182.A N GLY 176.A O no hydrogen 2.855 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.745 N/A ALA 185.A N ASP 182.A O no hydrogen 2.837 N/A ASP 186.A N PRO 183.A O no hydrogen 3.014 N/A LEU 188.A N ALA 185.A O no hydrogen 3.137 N/A GLY 190.A N GLY 187.A O no hydrogen 2.953 N/A GLY 192.A N SER 144.A OG no hydrogen 2.757 N/A VAL 193.A N GLY 190.A O no hydrogen 3.332 N/A