Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e41_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N SER 22.A O no hydrogen 3.107 N/A SER 5.A N ARG 20.A O no hydrogen 3.158 N/A THR 7.A OG1 HIS 8.A ND1 no hydrogen 2.884 N/A LEU 9.A N ARG 103.A O no hydrogen 2.964 N/A LYS 11.A N LEU 105.A O no hydrogen 2.864 N/A LYS 11.A NZ GLN 16.A O no hydrogen 2.843 N/A THR 12.A N GLN 15.A OE1 no hydrogen 2.526 N/A THR 12.A OG1 GLU 108.A O no hydrogen 3.264 N/A ARG 13.A N LEU 107.A O no hydrogen 2.866 N/A GLY 14.A N LEU 77.A O no hydrogen 2.949 N/A GLN 15.A N THR 12.A O no hydrogen 2.988 N/A ALA 17.A N VAL 74.A O no hydrogen 2.863 N/A LEU 19.A N LEU 72.A O no hydrogen 2.639 N/A ARG 20.A N SER 5.A O no hydrogen 2.775 N/A ARG 20.A NH1 GLU 71.A OE1 no hydrogen 2.733 N/A CYS 21.A N SER 70.A O no hydrogen 2.887 N/A CYS 21.A SG THR 3.A O no hydrogen 3.721 N/A SER 22.A N THR 3.A O no hydrogen 2.947 N/A ILE 24.A N SER 89.A OG no hydrogen 3.264 N/A HIS 27.A N ILE 24.A O no hydrogen 2.887 N/A THR 28.A OG1 GLU 47.A OE1 no hydrogen 3.105 N/A SER 29.A OG TYR 45.A O no hydrogen 3.491 N/A SER 29.A OG ASP 46.A OD1 no hydrogen 2.732 N/A VAL 30.A N TYR 45.A O no hydrogen 2.750 N/A TYR 31.A N ALA 88.A O no hydrogen 2.750 N/A TYR 31.A OH SER 90.A OG no hydrogen 3.175 N/A TRP 32.A N LEU 43.A O no hydrogen 2.950 N/A TRP 32.A NE1 SER 70.A OG no hydrogen 2.921 N/A TYR 33.A N LEU 86.A O no hydrogen 2.858 N/A GLN 34.A N GLN 40.A O no hydrogen 2.716 N/A GLN 34.A NE2 TYR 85.A OH no hydrogen 2.701 N/A GLN 35.A N LEU 84.A O no hydrogen 2.775 N/A GLN 40.A N GLN 34.A O no hydrogen 2.620 N/A LEU 42.A N TRP 32.A O no hydrogen 2.828 N/A LEU 43.A N TRP 32.A O no hydrogen 3.401 N/A TRP 44.A N ASN 52.A O no hydrogen 2.913 N/A TRP 44.A NE1 SER 29.A OG no hydrogen 2.778 N/A TYR 45.A N VAL 30.A O no hydrogen 2.883 N/A ASP 46.A N GLU 49.A O no hydrogen 3.183 N/A GLU 47.A N THR 28.A O no hydrogen 3.428 N/A GLY 48.A N GLN 64.A OE1 no hydrogen 2.857 N/A GLU 49.A N ASP 46.A O no hydrogen 2.979 N/A ARG 51.A N TRP 44.A O no hydrogen 2.753 N/A ASN 52.A N TRP 44.A O no hydrogen 3.382 N/A ARG 53.A N ASN 52.A OD1 no hydrogen 2.968 N/A ARG 53.A NH1 PHE 60.A O no hydrogen 3.320 N/A ARG 53.A NH2 PHE 56.A O no hydrogen 3.224 N/A ARG 53.A NH2 PHE 60.A O no hydrogen 2.608 N/A GLY 54.A N LEU 42.A O no hydrogen 2.667 N/A ARG 59.A NE ASP 81.A OD2 no hydrogen 3.145 N/A ARG 59.A NH2 ASP 81.A OD1 no hydrogen 2.745 N/A ARG 59.A NH2 ASP 81.A OD2 no hydrogen 3.162 N/A PHE 60.A N PRO 57.A O no hydrogen 3.070 N/A SER 61.A N ASN 73.A O no hydrogen 3.067 N/A ARG 63.A N GLU 71.A O no hydrogen 3.113 N/A ARG 63.A NH2 GLU 71.A OE2 no hydrogen 3.316 N/A GLN 64.A NE2 THR 28.A O no hydrogen 3.101 N/A GLN 64.A NE2 TYR 68.A O no hydrogen 3.086 N/A PHE 65.A N SER 69.A O no hydrogen 2.871 N/A ASN 67.A ND2 SER 69.A OG no hydrogen 2.901 N/A TYR 68.A N PHE 65.A O no hydrogen 2.731 N/A TYR 68.A OH GLU 47.A OE2 no hydrogen 2.717 N/A SER 70.A N CYS 21.A O no hydrogen 2.779 N/A GLU 71.A N ARG 63.A O no hydrogen 3.049 N/A LEU 72.A N LEU 19.A O no hydrogen 2.873 N/A ASN 73.A N SER 61.A O no hydrogen 2.757 N/A ASN 73.A ND2 THR 18.A OG1 no hydrogen 2.614 N/A VAL 74.A N ALA 17.A O no hydrogen 2.895 N/A LEU 77.A N GLN 15.A O no hydrogen 3.246 N/A GLU 78.A N ASP 81.A OD2 no hydrogen 3.033 N/A ASP 81.A N GLU 78.A O no hydrogen 2.975 N/A SER 82.A N LEU 79.A O no hydrogen 3.219 N/A SER 82.A OG LEU 79.A O no hydrogen 2.689 N/A ALA 83.A N LEU 104.A O no hydrogen 3.097 N/A LEU 84.A N GLN 35.A O no hydrogen 2.828 N/A TYR 85.A N THR 102.A O no hydrogen 2.811 N/A TYR 85.A OH ASP 81.A O no hydrogen 2.484 N/A LEU 86.A N TYR 33.A O no hydrogen 2.783 N/A CYS 87.A SG TYR 31.A O no hydrogen 3.653 N/A ALA 88.A N TYR 31.A O no hydrogen 2.893 N/A SER 89.A N TYR 97.A O no hydrogen 2.918 N/A SER 90.A OG GLN 91.A O no hydrogen 2.908 N/A GLN 91.A NE2 GLY 26.A O no hydrogen 3.492 N/A GLU 94.A N GLN 91.A O no hydrogen 2.995 N/A GLN 96.A NE2 TYR 33.A OH no hydrogen 2.685 N/A TYR 97.A N SER 89.A O no hydrogen 3.005 N/A GLY 99.A N CYS 87.A O no hydrogen 2.702 N/A THR 102.A N TYR 85.A O no hydrogen 2.922 N/A THR 102.A OG1 PRO 6.A O no hydrogen 2.422 N/A ARG 103.A N THR 7.A O no hydrogen 2.883 N/A LEU 104.A N ALA 83.A O no hydrogen 2.999 N/A LEU 105.A N LEU 9.A O no hydrogen 2.835 N/A VAL 106.A N SER 82.A OG no hydrogen 2.994 N/A LEU 107.A N LYS 11.A O no hydrogen 2.970 N/A VAL 113.A N LEU 110.A O no hydrogen 3.067 N/A PHE 114.A N TYR 144.A O no hydrogen 2.956 N/A GLU 117.A N THR 141.A O no hydrogen 2.910 N/A ALA 119.A N LEU 139.A O no hydrogen 3.048 N/A PHE 121.A N VAL 137.A O no hydrogen 2.789 N/A GLU 127.A N SER 124.A OG no hydrogen 2.943 N/A SER 129.A N GLU 125.A O no hydrogen 3.205 N/A SER 129.A OG GLU 125.A O no hydrogen 3.021 N/A HIS 130.A N ALA 126.A O no hydrogen 3.241 N/A THR 131.A N GLU 127.A O no hydrogen 2.806 N/A THR 131.A OG1 GLU 127.A O no hydrogen 3.059 N/A GLN 132.A N ILE 128.A O no hydrogen 2.928 N/A GLN 132.A NE2 ILE 128.A O no hydrogen 3.169 N/A ALA 134.A N VAL 189.A O no hydrogen 2.753 N/A THR 135.A N GLU 127.A OE1 no hydrogen 2.900 N/A THR 135.A OG1 GLU 127.A OE1 no hydrogen 3.460 N/A THR 135.A OG1 GLU 127.A OE2 no hydrogen 2.460 N/A LEU 136.A N LEU 187.A O no hydrogen 2.810 N/A VAL 137.A N PHE 121.A O no hydrogen 3.110 N/A CYS 138.A N SER 185.A O no hydrogen 2.848 N/A CYS 138.A SG ALA 119.A O no hydrogen 3.858 N/A LEU 139.A N ALA 119.A O no hydrogen 2.930 N/A ALA 140.A N LEU 183.A O no hydrogen 2.919 N/A THR 141.A N GLU 117.A O no hydrogen 2.974 N/A THR 141.A OG1 GLU 117.A O no hydrogen 3.511 N/A PHE 143.A N TYR 181.A O no hydrogen 3.288 N/A TYR 144.A N PHE 114.A O no hydrogen 2.716 N/A GLU 149.A N GLN 206.A O no hydrogen 3.006 N/A SER 151.A N GLN 204.A O no hydrogen 2.924 N/A TRP 152.A NE1 SER 185.A OG no hydrogen 2.926 N/A TRP 153.A N ARG 202.A O no hydrogen 2.711 N/A VAL 154.A N LYS 157.A O no hydrogen 3.105 N/A ASN 155.A N HIS 200.A O no hydrogen 2.791 N/A ASN 155.A ND2 ASN 199.A OD1 no hydrogen 3.012 N/A LYS 157.A N VAL 154.A O no hydrogen 3.330 N/A VAL 159.A N TRP 152.A O no hydrogen 3.228 N/A VAL 163.A N HIS 160.A O no hydrogen 3.333 N/A CYS 164.A N ARG 186.A O no hydrogen 2.994 N/A CYS 164.A SG THR 165.A O no hydrogen 3.605 N/A THR 165.A OG1 SER 185.A OG no hydrogen 2.806 N/A ASP 166.A N SER 184.A O no hydrogen 3.078 N/A LEU 170.A N ALA 182.A O no hydrogen 3.220 N/A LYS 171.A NZ LEU 176.A O no hydrogen 3.080 N/A GLU 172.A N ARG 180.A O no hydrogen 2.862 N/A GLN 173.A N SER 179.A OG no hydrogen 3.012 N/A ASP 178.A N LEU 176.A O no hydrogen 2.618 N/A SER 179.A N LEU 176.A O no hydrogen 3.245 N/A SER 179.A OG GLN 173.A O no hydrogen 3.542 N/A SER 179.A OG ARG 180.A O no hydrogen 2.784 N/A ARG 180.A NH1 GLY 142.A O no hydrogen 3.268 N/A TYR 181.A N PHE 143.A O no hydrogen 2.865 N/A ALA 182.A N LEU 170.A O no hydrogen 2.818 N/A LEU 183.A N ALA 140.A O no hydrogen 2.818 N/A SER 184.A N ASP 166.A OD2 no hydrogen 2.860 N/A SER 184.A OG ASP 166.A OD2 no hydrogen 2.844 N/A SER 185.A N CYS 138.A O no hydrogen 3.248 N/A SER 185.A OG CYS 164.A O no hydrogen 2.810 N/A SER 185.A OG THR 165.A OG1 no hydrogen 2.806 N/A ARG 186.A N CYS 164.A O no hydrogen 2.686 N/A ARG 186.A NE CYS 164.A O no hydrogen 3.418 N/A ARG 186.A NH2 ASP 166.A OD1 no hydrogen 2.963 N/A LEU 187.A N LEU 136.A O no hydrogen 2.861 N/A ARG 188.A N GLY 162.A O no hydrogen 2.759 N/A VAL 189.A N ALA 134.A O no hydrogen 2.942 N/A SER 190.A OG THR 192.A OG1 no hydrogen 3.194 N/A ALA 191.A N GLN 132.A O no hydrogen 2.617 N/A THR 192.A OG1 SER 190.A OG no hydrogen 3.194 N/A PHE 193.A N SER 190.A OG no hydrogen 3.369 N/A TRP 194.A N SER 190.A O no hydrogen 3.381 N/A GLN 195.A N ALA 191.A O no hydrogen 3.054 N/A ARG 198.A N ASN 196.A OD1 no hydrogen 3.251 N/A ASN 199.A N ASN 196.A O no hydrogen 3.128 N/A ASN 199.A ND2 PHE 193.A O no hydrogen 3.033 N/A ASN 199.A ND2 ASN 196.A O no hydrogen 3.668 N/A HIS 200.A N ASN 155.A OD1 no hydrogen 2.675 N/A PHE 201.A N ALA 232.A O no hydrogen 3.186 N/A ARG 202.A N TRP 153.A O no hydrogen 2.773 N/A CYS 203.A N ALA 230.A O no hydrogen 2.953 N/A GLN 204.A N SER 151.A O no hydrogen 2.840 N/A VAL 205.A N VAL 228.A O no hydrogen 2.940 N/A GLN 206.A N GLU 149.A O no hydrogen 2.805 N/A PHE 207.A N GLN 226.A O no hydrogen 2.816 N/A TYR 208.A N HIS 147.A O no hydrogen 3.061 N/A GLY 209.A N THR 225.A OG1 no hydrogen 2.680 N/A LEU 210.A N PRO 223.A O no hydrogen 3.206 N/A SER 211.A N ASP 214.A OD2 no hydrogen 2.805 N/A SER 211.A OG ASP 214.A OD2 no hydrogen 3.430 N/A ASP 214.A N SER 211.A O no hydrogen 2.732 N/A TRP 216.A NE1 ARG 220.A O no hydrogen 3.139 N/A ARG 220.A NH1 VAL 113.A O no hydrogen 2.920 N/A ARG 220.A NH2 LYS 111.A O no hydrogen 3.126 N/A ARG 220.A NH2 VAL 113.A O no hydrogen 2.800 N/A LYS 222.A NZ ASP 214.A O no hydrogen 2.969 N/A VAL 224.A N LYS 222.A O no hydrogen 2.823 N/A THR 225.A N LEU 210.A O no hydrogen 3.029 N/A GLN 226.A N PHE 207.A O no hydrogen 3.109 N/A GLN 226.A NE2 VAL 224.A O no hydrogen 3.374 N/A VAL 228.A N VAL 205.A O no hydrogen 3.100 N/A ALA 230.A N CYS 203.A O no hydrogen 3.095 N/A ALA 232.A N PHE 201.A O no hydrogen 2.920 N/A GLY 234.A N ASN 199.A O no hydrogen 3.187 N/A