Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1e98_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE LYS 203.A O no hydrogen 2.794 N/A ARG 3.A NH1 ASP 126.A OD2 no hydrogen 2.936 N/A ARG 3.A NH2 ASP 126.A OD1 no hydrogen 2.721 N/A ARG 3.A NH2 LYS 203.A O no hydrogen 2.921 N/A GLY 4.A N LEU 85.A O no hydrogen 2.822 N/A ALA 5.A N THR 90.A OG1 no hydrogen 3.138 N/A LEU 6.A N ASP 126.A OD2 no hydrogen 2.838 N/A ILE 7.A N LEU 91.A O no hydrogen 2.730 N/A VAL 8.A N LEU 127.A O no hydrogen 2.839 N/A LEU 9.A N VAL 93.A O no hydrogen 2.825 N/A GLU 10.A N LEU 129.A O no hydrogen 2.871 N/A VAL 12.A N LEU 131.A O no hydrogen 3.123 N/A ARG 14.A NE ASP 13.A OD2 no hydrogen 3.201 N/A ARG 14.A NH1 GLY 142.A O no hydrogen 2.164 N/A ALA 15.A N VAL 12.A O no hydrogen 3.116 N/A LYS 17.A NZ GLY 11.A O no hydrogen 3.375 N/A LYS 17.A NZ VAL 12.A O no hydrogen 3.141 N/A SER 18.A OG ASP 94.A OD2 no hydrogen 2.601 N/A GLN 20.A N GLY 16.A O no hydrogen 2.898 N/A GLN 20.A NE2 ILE 182.A O no hydrogen 3.086 N/A SER 21.A N LYS 17.A O no hydrogen 2.812 N/A SER 21.A OG LYS 17.A O no hydrogen 2.331 N/A ARG 22.A N SER 18.A O no hydrogen 3.018 N/A LYS 23.A N THR 19.A O no hydrogen 2.981 N/A LYS 23.A NZ GLU 183.A OE2 no hydrogen 2.894 N/A LEU 24.A N GLN 20.A O no hydrogen 2.771 N/A VAL 25.A N SER 21.A O no hydrogen 3.150 N/A GLU 26.A N ARG 22.A O no hydrogen 3.154 N/A ALA 27.A N LYS 23.A O no hydrogen 3.103 N/A LEU 28.A N LEU 24.A O no hydrogen 2.894 N/A CYS 29.A N VAL 25.A O no hydrogen 2.936 N/A CYS 29.A SG VAL 25.A O no hydrogen 3.363 N/A CYS 29.A SG HIS 33.A O no hydrogen 4.029 N/A CYS 29.A SG ALA 35.A O no hydrogen 3.140 N/A ALA 30.A N GLU 26.A O no hydrogen 2.894 N/A ALA 31.A N ALA 27.A O no hydrogen 2.999 N/A ALA 31.A N LEU 28.A O no hydrogen 2.997 N/A GLY 32.A N CYS 29.A O no hydrogen 2.988 N/A HIS 33.A N LEU 28.A O no hydrogen 2.948 N/A HIS 33.A NE2 GLU 194.A OE1 no hydrogen 2.963 N/A HIS 33.A NE2 GLU 194.A OE2 no hydrogen 3.126 N/A ARG 34.A NH1 GLN 87.A O no hydrogen 2.502 N/A GLU 36.A N THR 90.A O no hydrogen 3.044 N/A LEU 38.A N VAL 92.A O no hydrogen 2.846 N/A ARG 39.A NH1 ARG 39.A O no hydrogen 3.492 N/A PHE 40.A N ASP 94.A O no hydrogen 3.073 N/A GLU 42.A N ASN 73.A OD1 no hydrogen 2.815 N/A ARG 43.A NH1 SER 52.A OG no hydrogen 2.708 N/A ARG 43.A NH1 GLU 147.A OE2 no hydrogen 3.305 N/A ARG 43.A NH2 GLU 147.A OE1 no hydrogen 3.288 N/A ARG 43.A NH2 GLU 147.A OE2 no hydrogen 3.376 N/A SER 44.A N GLU 42.A OE2 no hydrogen 3.200 N/A SER 44.A OG GLU 42.A OE2 no hydrogen 2.648 N/A THR 45.A OG1 GLU 76.A OE2 no hydrogen 2.599 N/A GLY 48.A N THR 45.A OG1 no hydrogen 2.994 N/A LYS 49.A N THR 45.A O no hydrogen 2.945 N/A LEU 50.A N GLU 46.A O no hydrogen 3.362 N/A LEU 51.A N ILE 47.A O no hydrogen 2.943 N/A SER 52.A N GLY 48.A O no hydrogen 2.783 N/A SER 53.A N LYS 49.A O no hydrogen 2.958 N/A SER 53.A OG SER 59.A OG no hydrogen 2.791 N/A TYR 54.A N LEU 50.A O no hydrogen 3.051 N/A TYR 54.A OH TYR 149.A OH no hydrogen 2.974 N/A LEU 55.A N LEU 51.A O no hydrogen 2.946 N/A GLN 56.A N SER 52.A O no hydrogen 3.151 N/A LYS 57.A N TYR 54.A O no hydrogen 3.063 N/A LYS 57.A NZ HIS 146.A O no hydrogen 3.406 N/A LYS 58.A N SER 53.A O no hydrogen 2.860 N/A LYS 58.A NZ GLN 56.A OE1 no hydrogen 2.686 N/A SER 59.A OG SER 53.A OG no hydrogen 2.791 N/A HIS 64.A ND1 GLU 62.A OE2 no hydrogen 2.785 N/A SER 65.A N GLU 62.A OE1 no hydrogen 2.902 N/A VAL 66.A N GLU 62.A O no hydrogen 2.848 N/A HIS 67.A N ASP 63.A O no hydrogen 3.143 N/A HIS 67.A ND1 THR 104.A OG1 no hydrogen 2.745 N/A HIS 67.A NE2 CYS 115.A O no hydrogen 2.900 N/A LEU 68.A N HIS 64.A O no hydrogen 3.006 N/A LEU 69.A N SER 65.A O no hydrogen 2.916 N/A PHE 70.A N VAL 66.A O no hydrogen 3.052 N/A SER 71.A N HIS 67.A O no hydrogen 3.160 N/A SER 71.A OG ASP 119.A OD1 no hydrogen 2.870 N/A ALA 72.A N LEU 68.A O no hydrogen 2.736 N/A ASN 73.A N LEU 69.A O no hydrogen 2.847 N/A ASN 73.A ND2 GLU 42.A O no hydrogen 2.886 N/A ASN 73.A ND2 GLU 76.A OE2 no hydrogen 3.062 N/A ARG 74.A N SER 71.A O no hydrogen 2.837 N/A ARG 74.A NE ASP 119.A OD1 no hydrogen 2.930 N/A ARG 74.A NE ASP 119.A OD2 no hydrogen 3.323 N/A ARG 74.A NH2 ASP 119.A OD1 no hydrogen 3.526 N/A ARG 74.A NH2 ASP 119.A OD2 no hydrogen 2.887 N/A TRP 75.A N SER 71.A O no hydrogen 3.033 N/A TRP 75.A NE1 PRO 118.A O no hydrogen 2.773 N/A GLU 76.A N ALA 72.A O no hydrogen 2.868 N/A GLN 77.A N ARG 74.A O no hydrogen 2.830 N/A VAL 78.A N TRP 75.A O no hydrogen 2.988 N/A ILE 81.A N GLN 77.A O no hydrogen 2.963 N/A LYS 82.A N VAL 78.A O no hydrogen 2.770 N/A GLU 83.A N PRO 79.A O no hydrogen 2.987 N/A LYS 84.A N LEU 80.A O no hydrogen 2.786 N/A LYS 84.A NZ GLU 36.A OE1 no hydrogen 3.324 N/A LYS 84.A NZ GLU 36.A OE2 no hydrogen 2.619 N/A LEU 85.A N ILE 81.A O no hydrogen 2.973 N/A SER 86.A N LYS 82.A O no hydrogen 2.933 N/A SER 86.A OG LYS 82.A O no hydrogen 3.305 N/A SER 86.A OG GLU 83.A O no hydrogen 2.967 N/A GLN 87.A N GLU 83.A O no hydrogen 3.115 N/A GLN 87.A N LYS 84.A O no hydrogen 3.070 N/A GLN 87.A NE2 GLU 83.A O no hydrogen 3.357 N/A GLY 88.A N LEU 85.A O no hydrogen 2.960 N/A VAL 89.A N LYS 84.A O no hydrogen 3.104 N/A THR 90.A N ARG 34.A O no hydrogen 2.801 N/A LEU 91.A N ALA 5.A O no hydrogen 2.877 N/A VAL 92.A N GLU 36.A O no hydrogen 3.034 N/A VAL 93.A N ILE 7.A O no hydrogen 2.790 N/A ASP 94.A N LEU 38.A O no hydrogen 3.002 N/A ARG 95.A N LEU 9.A O no hydrogen 2.849 N/A ARG 95.A NH1 SER 99.A OG no hydrogen 2.901 N/A TYR 96.A N GLU 10.A OE2 no hydrogen 2.751 N/A TYR 96.A OH PRO 123.A O no hydrogen 2.919 N/A SER 99.A N GLU 10.A OE2 no hydrogen 3.031 N/A SER 99.A OG GLU 10.A OE1 no hydrogen 2.499 N/A GLY 100.A N TYR 96.A O no hydrogen 3.308 N/A VAL 101.A N ALA 97.A O no hydrogen 2.989 N/A ALA 102.A N PHE 98.A O no hydrogen 2.876 N/A PHE 103.A N SER 99.A O no hydrogen 2.973 N/A THR 104.A N GLY 100.A O no hydrogen 3.504 N/A THR 104.A OG1 HIS 67.A ND1 no hydrogen 2.745 N/A GLY 105.A N VAL 101.A O no hydrogen 2.739 N/A LYS 107.A N THR 104.A O no hydrogen 2.815 N/A LYS 107.A NZ TYR 54.A OH no hydrogen 3.048 N/A LYS 107.A NZ ASP 63.A OD1 no hydrogen 2.930 N/A LYS 107.A NZ TYR 149.A OH no hydrogen 2.757 N/A TRP 114.A N SER 111.A OG no hydrogen 2.961 N/A CYS 115.A N SER 111.A O no hydrogen 3.064 N/A CYS 115.A SG SER 111.A O no hydrogen 3.332 N/A LYS 116.A N LEU 112.A O no hydrogen 2.852 N/A LYS 116.A N ASP 113.A O no hydrogen 3.187 N/A GLN 117.A N ASP 113.A O no hydrogen 3.293 N/A GLN 117.A NE2 ASP 113.A O no hydrogen 3.073 N/A ASP 119.A N LYS 116.A O no hydrogen 3.011 N/A VAL 120.A N GLN 117.A O no hydrogen 3.004 N/A GLY 121.A N LEU 208.A O no hydrogen 2.813 N/A LEU 122.A N ASP 119.A O no hydrogen 3.182 N/A LYS 124.A N GLY 206.A O no hydrogen 2.990 N/A LYS 124.A NZ THR 170.A O no hydrogen 2.865 N/A ASP 126.A N LEU 6.A O no hydrogen 2.839 N/A VAL 128.A N ASN 172.A O no hydrogen 3.056 N/A LEU 129.A N VAL 8.A O no hydrogen 2.828 N/A PHE 130.A N LYS 174.A O no hydrogen 2.929 N/A LEU 131.A N GLU 10.A O no hydrogen 2.873 N/A GLN 132.A N VAL 176.A O no hydrogen 2.907 N/A ASP 137.A N GLN 134.A O no hydrogen 2.822 N/A ALA 138.A N GLN 134.A O no hydrogen 2.890 N/A ALA 139.A N LEU 135.A O no hydrogen 3.035 N/A LYS 140.A NZ ASP 137.A OD1 no hydrogen 3.531 N/A ARG 141.A N ALA 138.A O no hydrogen 2.950 N/A ARG 141.A NH1 ARG 14.A O no hydrogen 3.147 N/A ARG 141.A NH1 ALA 15.A O no hydrogen 2.925 N/A ARG 141.A NH1 ALA 178.A O no hydrogen 3.401 N/A ARG 141.A NH2 ALA 178.A O no hydrogen 2.639 N/A GLY 142.A N ALA 139.A O no hydrogen 2.799 N/A ARG 148.A N LEU 55.A O no hydrogen 2.749 N/A ARG 148.A NE TYR 54.A O no hydrogen 2.720 N/A ARG 148.A NH2 TYR 54.A O no hydrogen 3.251 N/A ARG 148.A NH2 SER 59.A O no hydrogen 2.964 N/A ARG 148.A NH2 ASP 60.A OD1 no hydrogen 3.179 N/A TYR 149.A OH TYR 54.A OH no hydrogen 2.974 N/A GLU 150.A N GLU 147.A O no hydrogen 3.269 N/A PHE 154.A N ASN 151.A OD1 no hydrogen 2.412 N/A GLN 155.A N ASN 151.A O no hydrogen 2.852 N/A GLN 155.A NE2 TYR 149.A O no hydrogen 2.861 N/A GLU 156.A N GLY 152.A O no hydrogen 3.018 N/A ARG 157.A N ALA 153.A O no hydrogen 3.291 N/A ARG 157.A NE ALA 106.A O no hydrogen 2.704 N/A ALA 158.A N PHE 154.A O no hydrogen 2.911 N/A LEU 159.A N GLN 155.A O no hydrogen 2.910 N/A ARG 160.A N GLU 156.A O no hydrogen 3.352 N/A CYS 161.A N ARG 157.A O no hydrogen 3.339 N/A CYS 161.A SG ALA 102.A O no hydrogen 3.952 N/A CYS 161.A SG ARG 157.A O no hydrogen 3.539 N/A PHE 162.A N ALA 158.A O no hydrogen 2.886 N/A HIS 163.A N LEU 159.A O no hydrogen 2.916 N/A GLN 164.A N ARG 160.A O no hydrogen 2.979 N/A LEU 165.A N CYS 161.A O no hydrogen 2.963 N/A MET 166.A N PHE 162.A O no hydrogen 3.009 N/A LYS 167.A N GLN 164.A O no hydrogen 3.083 N/A LYS 167.A NZ GLN 164.A OE1 no hydrogen 2.511 N/A ASP 168.A N LEU 165.A O no hydrogen 3.135 N/A THR 170.A N ASP 168.A OD1 no hydrogen 2.797 N/A THR 170.A OG1 ASP 168.A OD1 no hydrogen 2.534 N/A LEU 171.A N ASP 168.A O no hydrogen 3.294 N/A ASN 172.A ND2 ASP 126.A O no hydrogen 2.884 N/A TRP 173.A N LEU 171.A O no hydrogen 2.821 N/A LYS 174.A N VAL 128.A O no hydrogen 2.845 N/A VAL 176.A N PHE 130.A O no hydrogen 2.859 N/A ALA 178.A N GLN 132.A O no hydrogen 2.877 N/A SER 179.A N ASP 177.A OD1 no hydrogen 3.143 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.589 N/A SER 179.A OG ASP 177.A OD2 no hydrogen 3.562 N/A LYS 180.A NZ GLU 188.A OE2 no hydrogen 2.233 N/A VAL 185.A N ARG 181.A O no hydrogen 2.958 N/A HIS 186.A N ILE 182.A O no hydrogen 2.968 N/A GLU 187.A N GLU 183.A O no hydrogen 2.835 N/A GLU 188.A N ALA 184.A O no hydrogen 3.097 N/A ILE 189.A N VAL 185.A O no hydrogen 2.976 N/A ARG 190.A N HIS 186.A O no hydrogen 2.852 N/A ARG 190.A NE GLU 187.A OE1 no hydrogen 2.956 N/A ARG 190.A NH2 GLU 187.A OE1 no hydrogen 3.059 N/A ARG 190.A NH2 GLU 187.A OE2 no hydrogen 2.916 N/A VAL 191.A N GLU 187.A O no hydrogen 3.217 N/A LEU 192.A N GLU 188.A O no hydrogen 3.206 N/A SER 193.A N ILE 189.A O no hydrogen 2.833 N/A SER 193.A OG ILE 189.A O no hydrogen 2.855 N/A GLU 194.A N ARG 190.A O no hydrogen 2.802 N/A ASP 195.A N VAL 191.A O no hydrogen 3.186 N/A ALA 196.A N LEU 192.A O no hydrogen 3.044 N/A ILE 197.A N SER 193.A O no hydrogen 2.945 N/A ARG 198.A N GLU 194.A O no hydrogen 2.870 N/A THR 199.A N ASP 195.A O no hydrogen 2.959 N/A THR 201.A OG1 ILE 197.A O no hydrogen 2.604 N/A THR 201.A OG1 ARG 198.A O no hydrogen 3.551 N/A GLU 202.A N THR 199.A O no hydrogen 2.841 N/A LEU 208.A N LEU 122.A O no hydrogen 2.668 N/A