Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3orh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N GLU 8.A OE1 no hydrogen 2.851 N/A GLU 8.A N ALA 5.A O no hydrogen 3.062 N/A CYS 10.A N LEU 133.A O no hydrogen 2.779 N/A CYS 10.A SG GLU 8.A OE2 no hydrogen 3.194 N/A SER 11.A N ASN 9.A OD1 no hydrogen 3.203 N/A ALA 13.A N CYS 10.A O no hydrogen 3.108 N/A TRP 14.A N SER 11.A O no hydrogen 3.348 N/A ALA 20.A N ARG 29.A O no hydrogen 2.838 N/A TYR 21.A OH GLY 64.A O no hydrogen 2.793 N/A ASP 22.A N HIS 27.A O no hydrogen 3.406 N/A ASP 25.A N ASP 22.A O no hydrogen 2.915 N/A THR 26.A N ASP 22.A OD1 no hydrogen 2.888 N/A THR 26.A OG1 ASP 22.A OD2 no hydrogen 3.049 N/A HIS 27.A N ASP 22.A OD1 no hydrogen 2.954 N/A LEU 28.A N MET 36.A O no hydrogen 2.874 N/A ARG 29.A N ALA 20.A O no hydrogen 2.942 N/A ILE 30.A N LYS 33.A O no hydrogen 3.351 N/A LYS 33.A N ILE 30.A O no hydrogen 2.925 N/A LYS 33.A NZ ILE 3.A O no hydrogen 3.314 N/A LYS 33.A NZ GLU 8.A OE2 no hydrogen 2.702 N/A VAL 35.A N LEU 28.A O no hydrogen 3.091 N/A MET 36.A N LEU 28.A O no hydrogen 3.251 N/A ARG 38.A N THR 26.A O no hydrogen 2.836 N/A ARG 38.A NE ASP 25.A O no hydrogen 2.736 N/A ARG 38.A NH2 ASP 25.A O no hydrogen 3.327 N/A TRP 39.A NE1 GLU 37.A OE1 no hydrogen 2.940 N/A GLU 40.A N GLU 37.A O no hydrogen 3.232 N/A THR 41.A N ARG 38.A O no hydrogen 3.036 N/A THR 41.A OG1 ARG 38.A O no hydrogen 2.668 N/A TYR 43.A OH ILE 223.A O no hydrogen 2.653 N/A MET 44.A N GLU 40.A O no hydrogen 2.937 N/A HIS 45.A N THR 41.A O no hydrogen 2.960 N/A ALA 46.A N PRO 42.A O no hydrogen 3.154 N/A LEU 47.A N TYR 43.A O no hydrogen 3.052 N/A ALA 48.A N MET 44.A O no hydrogen 2.953 N/A ALA 49.A N HIS 45.A O no hydrogen 2.935 N/A ALA 50.A N ALA 46.A O no hydrogen 3.136 N/A ALA 51.A N LEU 47.A O no hydrogen 2.932 N/A SER 52.A N ALA 48.A O no hydrogen 2.988 N/A SER 52.A OG ALA 48.A O no hydrogen 2.758 N/A SER 53.A N ALA 50.A O no hydrogen 3.380 N/A SER 53.A OG ALA 50.A O no hydrogen 2.730 N/A GLY 55.A N SER 52.A O no hydrogen 3.156 N/A ARG 57.A N ASP 124.A OD2 no hydrogen 2.912 N/A ARG 57.A NE GLU 79.A OE2 no hydrogen 3.394 N/A ARG 57.A NH1 HIS 122.A O no hydrogen 3.321 N/A VAL 58.A N GLU 79.A O no hydrogen 2.972 N/A LEU 59.A N GLY 125.A O no hydrogen 2.879 N/A GLU 60.A N TRP 81.A O no hydrogen 2.752 N/A VAL 61.A N LEU 127.A O no hydrogen 2.823 N/A GLY 62.A N ILE 83.A O no hydrogen 2.846 N/A PHE 63.A N GLU 84.A OE1 no hydrogen 2.819 N/A ALA 66.A N PHE 63.A O no hydrogen 3.031 N/A SER 70.A N ALA 66.A O no hydrogen 2.986 N/A SER 70.A OG ALA 66.A O no hydrogen 2.752 N/A LYS 71.A N ILE 67.A O no hydrogen 3.375 N/A VAL 72.A N ALA 68.A O no hydrogen 2.878 N/A GLN 73.A N ALA 69.A O no hydrogen 3.154 N/A GLN 73.A NE2 HIS 80.A ND1 no hydrogen 3.054 N/A GLN 73.A NE2 HIS 102.A O no hydrogen 3.156 N/A GLU 74.A N LYS 71.A O no hydrogen 3.080 N/A ALA 75.A N VAL 72.A O no hydrogen 3.089 N/A ILE 77.A N ALA 75.A O no hydrogen 2.814 N/A ASP 78.A N GLY 56.A O no hydrogen 2.740 N/A GLU 79.A N GLY 56.A O no hydrogen 3.263 N/A HIS 80.A N LYS 103.A O no hydrogen 2.846 N/A HIS 80.A NE2 GLU 60.A OE1 no hydrogen 2.818 N/A TRP 81.A N VAL 58.A O no hydrogen 2.841 N/A TRP 81.A NE1 GLU 79.A OE1 no hydrogen 2.850 N/A ILE 82.A N ILE 105.A O no hydrogen 2.899 N/A ILE 83.A N GLU 60.A O no hydrogen 2.971 N/A GLU 84.A N LEU 107.A O no hydrogen 3.061 N/A ASN 86.A N GLU 84.A OE2 no hydrogen 3.027 N/A ASN 86.A ND2 TRP 14.A O no hydrogen 2.835 N/A ASN 86.A ND2 ALA 17.A O no hydrogen 2.606 N/A ASP 87.A N GLY 15.A O no hydrogen 2.930 N/A VAL 89.A N ASN 86.A OD1 no hydrogen 2.939 N/A PHE 90.A N ASN 86.A O no hydrogen 2.827 N/A GLN 91.A N ASP 87.A O no hydrogen 3.009 N/A GLN 91.A NE2 ASP 95.A OD1 no hydrogen 2.928 N/A ARG 92.A N GLY 88.A O no hydrogen 3.444 N/A LEU 93.A N VAL 89.A O no hydrogen 2.943 N/A ARG 94.A N PHE 90.A O no hydrogen 2.866 N/A ASP 95.A N GLN 91.A O no hydrogen 3.081 N/A TRP 96.A N ARG 92.A O no hydrogen 3.027 N/A ALA 97.A N LEU 93.A O no hydrogen 2.889 N/A GLN 100.A N ALA 97.A O no hydrogen 3.279 N/A GLN 100.A NE2 TRP 96.A O no hydrogen 2.741 N/A HIS 102.A N GLN 73.A OE1 no hydrogen 2.940 N/A ILE 105.A N HIS 80.A O no hydrogen 2.804 N/A LEU 107.A N ILE 82.A O no hydrogen 2.910 N/A LYS 108.A NZ ASP 87.A OD1 no hydrogen 3.275 N/A GLY 109.A N GLU 84.A O no hydrogen 2.860 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.751 N/A ASP 113.A N LEU 110.A O no hydrogen 2.975 N/A VAL 114.A N LEU 110.A O no hydrogen 2.939 N/A ALA 115.A N TRP 111.A O no hydrogen 2.796 N/A THR 117.A N VAL 114.A O no hydrogen 2.974 N/A THR 117.A OG1 VAL 114.A O no hydrogen 2.650 N/A LEU 118.A N ALA 115.A O no hydrogen 2.969 N/A GLY 121.A N ARG 152.A O no hydrogen 2.726 N/A HIS 122.A N LEU 153.A O no hydrogen 2.939 N/A PHE 123.A N LEU 153.A O no hydrogen 3.058 N/A ASP 124.A N ARG 57.A O no hydrogen 2.808 N/A GLY 125.A N ARG 57.A O no hydrogen 3.292 N/A ILE 126.A N VAL 159.A O no hydrogen 2.894 N/A LEU 127.A N LEU 59.A O no hydrogen 2.787 N/A TYR 128.A N THR 161.A O no hydrogen 3.023 N/A TYR 128.A OH HIS 141.A ND1 no hydrogen 2.704 N/A ASP 129.A N VAL 61.A O no hydrogen 3.008 N/A THR 130.A OG1 TYR 128.A OH no hydrogen 2.941 N/A SER 134.A OG THR 137.A OG1 no hydrogen 2.849 N/A GLU 135.A N GLU 8.A O no hydrogen 2.999 N/A GLU 136.A N GLU 136.A OE2 no hydrogen 2.773 N/A THR 137.A N SER 134.A O no hydrogen 3.137 N/A THR 137.A OG1 SER 134.A O no hydrogen 3.255 N/A THR 137.A OG1 SER 134.A OG no hydrogen 2.849 N/A TRP 138.A N GLU 135.A O no hydrogen 3.342 N/A HIS 139.A ND1 SER 167.A OG no hydrogen 2.791 N/A THR 140.A N THR 137.A O no hydrogen 3.193 N/A HIS 141.A N THR 137.A O no hydrogen 2.898 N/A HIS 141.A ND1 TYR 128.A OH no hydrogen 2.704 N/A GLN 142.A N GLN 142.A OE1 no hydrogen 2.842 N/A GLN 142.A NE2 HIS 139.A O no hydrogen 3.568 N/A GLN 142.A NE2 GLN 187.A OE1 no hydrogen 3.078 N/A PHE 143.A N THR 140.A O no hydrogen 3.058 N/A ILE 146.A N GLN 142.A O no hydrogen 2.835 N/A LYS 147.A N PHE 143.A O no hydrogen 2.834 N/A ASN 148.A N ASN 144.A O no hydrogen 3.135 N/A ASN 148.A ND2 ASN 144.A O no hydrogen 2.888 N/A HIS 149.A N PHE 145.A O no hydrogen 2.810 N/A ALA 150.A N PHE 145.A O no hydrogen 3.149 N/A ARG 152.A NE ASP 120.A OD1 no hydrogen 2.782 N/A ARG 152.A NH1 ALA 115.A O no hydrogen 3.470 N/A ARG 152.A NH1 HIS 149.A ND1 no hydrogen 3.205 N/A ARG 152.A NH2 LEU 118.A O no hydrogen 2.586 N/A ARG 152.A NH2 ASP 120.A OD1 no hydrogen 2.737 N/A LEU 153.A N HIS 149.A O no hydrogen 2.884 N/A LEU 154.A N ALA 150.A O no hydrogen 3.180 N/A LYS 155.A N PHE 123.A O no hydrogen 2.888 N/A LYS 155.A NZ ASP 124.A OD1 no hydrogen 3.421 N/A LYS 155.A NZ ASP 124.A OD2 no hydrogen 3.286 N/A GLY 157.A N LYS 229.A O no hydrogen 2.907 N/A GLY 158.A N LYS 155.A O no hydrogen 2.829 N/A VAL 159.A N ASP 124.A O no hydrogen 2.941 N/A LEU 160.A N VAL 227.A O no hydrogen 2.731 N/A THR 161.A N ILE 126.A O no hydrogen 2.913 N/A THR 161.A OG1 PRO 225.A O no hydrogen 2.716 N/A TYR 162.A OH GLN 187.A OE1 no hydrogen 2.834 N/A CYS 163.A N TYR 128.A O no hydrogen 3.236 N/A ASN 164.A ND2 TRP 138.A O no hydrogen 2.929 N/A ASN 164.A ND2 GLN 142.A OE1 no hydrogen 2.840 N/A THR 166.A OG1 ASN 164.A OD1 no hydrogen 2.770 N/A SER 167.A N ASN 164.A OD1 no hydrogen 3.097 N/A SER 167.A OG HIS 139.A ND1 no hydrogen 2.791 N/A TRP 168.A N ASN 164.A O no hydrogen 2.988 N/A GLY 169.A N LEU 165.A O no hydrogen 2.784 N/A LEU 171.A N SER 167.A O no hydrogen 3.002 N/A MET 172.A N TRP 168.A O no hydrogen 2.983 N/A LYS 173.A N GLU 170.A O no hydrogen 3.113 N/A LYS 173.A NZ ARG 215.A O no hydrogen 3.283 N/A TYR 176.A N LEU 171.A O no hydrogen 2.900 N/A TYR 176.A OH GLU 185.A OE1 no hydrogen 2.866 N/A THR 180.A OG1 ASP 178.A OD1 no hydrogen 2.554 N/A ILE 181.A N ASP 178.A OD1 no hydrogen 3.067 N/A MET 182.A N ASP 178.A O no hydrogen 3.058 N/A PHE 183.A N ILE 179.A O no hydrogen 3.080 N/A GLU 184.A N THR 180.A O no hydrogen 2.915 N/A GLU 185.A N ILE 181.A O no hydrogen 2.927 N/A THR 186.A N MET 182.A O no hydrogen 2.948 N/A THR 186.A OG1 MET 182.A O no hydrogen 2.767 N/A GLN 187.A N PHE 183.A O no hydrogen 2.899 N/A GLN 187.A NE2 THR 186.A OG1 no hydrogen 3.002 N/A VAL 188.A N PHE 183.A O no hydrogen 3.218 N/A LEU 191.A N GLN 187.A O no hydrogen 3.237 N/A LEU 192.A N VAL 188.A O no hydrogen 2.950 N/A GLU 193.A N PRO 189.A O no hydrogen 3.024 N/A ALA 194.A N ALA 190.A O no hydrogen 2.975 N/A GLY 195.A N LEU 192.A O no hydrogen 3.088 N/A PHE 196.A N LEU 191.A O no hydrogen 3.220 N/A ARG 197.A NE GLU 199.A OE2 no hydrogen 3.033 N/A ARG 198.A NE GLU 184.A OE2 no hydrogen 3.102 N/A ARG 198.A NH1 ARG 198.A O no hydrogen 2.726 N/A ARG 198.A NH1 ILE 201.A O no hydrogen 2.859 N/A ARG 198.A NH2 GLU 184.A OE1 no hydrogen 2.814 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.924 N/A ASN 200.A N ARG 197.A O no hydrogen 2.890 N/A ILE 201.A N ARG 198.A O no hydrogen 3.116 N/A ARG 202.A N LEU 226.A O no hydrogen 3.001 N/A GLU 204.A N THR 224.A O no hydrogen 2.872 N/A MET 206.A N MET 222.A O no hydrogen 2.995 N/A LEU 208.A N PRO 220.A O no hydrogen 3.167 N/A CYS 214.A N PRO 211.A O no hydrogen 3.074 N/A CYS 214.A SG TYR 217.A O no hydrogen 3.425 N/A TYR 216.A OH GLU 40.A OE2 no hydrogen 3.092 N/A TYR 217.A OH GLN 221.A O no hydrogen 2.739 N/A MET 222.A N MET 206.A O no hydrogen 2.992 N/A THR 224.A N GLU 204.A O no hydrogen 2.732 N/A LEU 226.A N ARG 202.A O no hydrogen 2.898 N/A VAL 227.A N LEU 160.A O no hydrogen 2.862 N/A THR 228.A N ASN 200.A O no hydrogen 2.959 N/A LYS 229.A N GLY 158.A O no hydrogen 2.944 N/A LYS 229.A NZ PHE 151.A O no hydrogen 2.850 N/A LYS 229.A NZ LEU 154.A O no hydrogen 2.931 N/A