Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG HIS 149.A NE2 no hydrogen 3.734 N/A CYS 3.A SG LEU 150.A O no hydrogen 3.753 N/A CYS 3.A SG SER 151.A O no hydrogen 3.651 N/A LEU 5.A N ASP 2.A O no hydrogen 3.370 N/A SER 6.A N.A ASP 2.A OD1 no hydrogen 2.770 N/A SER 6.A N.B ASP 2.A OD1 no hydrogen 2.766 N/A SER 6.A OG.B ASP 2.A OD1 no hydrogen 3.203 N/A SER 6.A OG.B ASP 2.A OD2 no hydrogen 2.705 N/A MET 8.A N HIS 4.A O no hydrogen 3.041 N/A LEU 9.A N LEU 5.A O no hydrogen 2.891 N/A GLN 10.A N.A SER 6.A O.A no hydrogen 3.053 N/A GLN 10.A N.A SER 6.A O.B no hydrogen 3.039 N/A GLN 10.A N.B SER 6.A O.A no hydrogen 3.047 N/A GLN 10.A N.B SER 6.A O.B no hydrogen 3.033 N/A GLN 11.A N ASP 7.A O no hydrogen 3.000 N/A GLN 11.A NE2 PRO 170.A O no hydrogen 3.046 N/A LEU 12.A N MET 8.A O no hydrogen 2.861 N/A HIS 13.A N LEU 9.A O no hydrogen 2.895 N/A SER 14.A N GLN 10.A O.A no hydrogen 3.087 N/A SER 14.A N GLN 10.A O.B no hydrogen 3.088 N/A SER 14.A OG.A GLN 10.A O.A no hydrogen 2.949 N/A SER 14.A OG.A GLN 10.A O.B no hydrogen 2.970 N/A SER 14.A OG.A GLN 10.A OE1.B no hydrogen 2.838 N/A SER 14.A OG.B GLU 193.A OE1 no hydrogen 2.840 N/A VAL 15.A N GLN 11.A O no hydrogen 3.130 N/A ASN 16.A N LEU 12.A O no hydrogen 2.959 N/A ASN 16.A ND2 LEU 205.A O no hydrogen 3.171 N/A ALA 17.A N HIS 13.A O no hydrogen 2.866 N/A SER 18.A N VAL 15.A O no hydrogen 3.199 N/A SER 18.A OG VAL 15.A O no hydrogen 2.729 N/A LYS 19.A N ASN 16.A O no hydrogen 3.062 N/A GLU 22.A N LYS 19.A O no hydrogen 2.962 N/A ARG 23.A NH1 GLU 193.A O no hydrogen 2.788 N/A ARG 23.A NH1 GLU 194.A O no hydrogen 3.440 N/A ARG 23.A NH2 SER 18.A O no hydrogen 2.923 N/A ARG 23.A NH2 GLU 193.A O no hydrogen 2.726 N/A ARG 27.A N TYR 195.A O no hydrogen 2.875 N/A GLN 28.A NE2 TYR 187.A OH no hydrogen 2.732 N/A GLU 30.A N ARG 27.A O no hydrogen 3.034 N/A ALA 31.A N GLN 28.A O no hydrogen 2.891 N/A GLU 32.A N GLU 29.A O no hydrogen 3.200 N/A ASP 33.A N THR 186.A O no hydrogen 3.078 N/A ALA 35.A N ASP 33.A OD1 no hydrogen 3.180 N/A CYS 36.A N ASP 33.A O no hydrogen 2.993 N/A CYS 36.A SG ASP 33.A OD2 no hydrogen 3.569 N/A CYS 36.A SG MET 172.A O no hydrogen 3.959 N/A ILE 37.A N PRO 34.A O no hydrogen 3.429 N/A TRP 41.A NE1 ALA 124.A O no hydrogen 3.070 N/A VAL 42.A N GLN 156.A OE1 no hydrogen 2.758 N/A SER 43.A N GLN 57.A O no hydrogen 2.737 N/A SER 43.A OG.A ALA 124.A O no hydrogen 3.271 N/A SER 43.A OG.B GLN 57.A O no hydrogen 2.979 N/A SER 43.A OG.B GLN 57.A OE1 no hydrogen 2.634 N/A LYS 44.A N GLN 57.A O no hydrogen 3.396 N/A LYS 44.A NZ MET 117.A O no hydrogen 2.893 N/A LYS 44.A NZ LEU 121.A O no hydrogen 2.966 N/A VAL 46.A N GLY 55.A O no hydrogen 2.779 N/A TYR 48.A N GLY 53.A O no hydrogen 2.913 N/A SER 49.A N ASP 47.A OD1 no hydrogen 2.943 N/A SER 49.A OG ASP 47.A OD1 no hydrogen 2.758 N/A ASP 50.A N ASP 50.A OD2.A no hydrogen 2.468 N/A LYS 51.A N TYR 48.A O no hydrogen 3.211 N/A TYR 52.A N TYR 48.A O no hydrogen 2.860 N/A GLY 53.A N TYR 48.A O no hydrogen 3.041 N/A LEU 54.A N LEU 66.A O no hydrogen 2.936 N/A GLY 55.A N VAL 46.A O no hydrogen 2.970 N/A TYR 56.A N GLY 64.A O no hydrogen 2.877 N/A GLN 57.A N LYS 44.A O no hydrogen 2.847 N/A LEU 58.A N SER 62.A O no hydrogen 2.870 N/A CYS 59.A N TRP 41.A O no hydrogen 2.947 N/A CYS 59.A SG ILE 39.A O no hydrogen 3.297 N/A ASN 61.A N LEU 58.A O no hydrogen 2.864 N/A SER 62.A N ASP 60.A OD2 no hydrogen 3.061 N/A SER 62.A OG ASP 60.A OD1 no hydrogen 3.564 N/A SER 62.A OG ASP 60.A OD2 no hydrogen 2.615 N/A VAL 63.A N LEU 75.A O no hydrogen 2.959 N/A GLY 64.A N TYR 56.A O no hydrogen 2.845 N/A VAL 65.A N LEU 73.A O no hydrogen 2.884 N/A LEU 66.A N LEU 54.A O no hydrogen 2.939 N/A PHE 67.A N THR 71.A O no hydrogen 2.976 N/A ASN 68.A N TYR 52.A O no hydrogen 2.860 N/A ASN 68.A ND2 SER 49.A O no hydrogen 2.978 N/A SER 70.A N PHE 67.A O no hydrogen 2.989 N/A THR 71.A N ASP 69.A OD1 no hydrogen 3.062 N/A THR 71.A OG1 ASP 69.A OD1 no hydrogen 2.655 N/A THR 71.A OG1 TYR 84.A OH no hydrogen 3.427 N/A ARG 72.A N ILE 85.A O no hydrogen 3.032 N/A ARG 72.A NE LEU 136.A O no hydrogen 2.767 N/A ARG 72.A NH1 LEU 136.A O no hydrogen 3.504 N/A ARG 72.A NH1 ARG 137.A O no hydrogen 2.762 N/A LEU 73.A N VAL 65.A O no hydrogen 3.145 N/A ILE 74.A N GLN 83.A O no hydrogen 2.883 N/A LEU 75.A N VAL 63.A O no hydrogen 2.778 N/A TYR 76.A N SER 81.A O no hydrogen 2.841 N/A TYR 76.A OH GLN 83.A OE1 no hydrogen 2.921 N/A ASN 77.A ND2 ASP 60.A O no hydrogen 2.934 N/A GLY 79.A N TYR 76.A O no hydrogen 2.988 N/A ASP 80.A N ASP 78.A OD2 no hydrogen 2.987 N/A SER 81.A N ASP 78.A OD2 no hydrogen 2.825 N/A SER 81.A OG ASP 78.A OD1 no hydrogen 2.594 N/A SER 81.A OG ASP 78.A OD2 no hydrogen 3.409 N/A LEU 82.A N LEU 94.A O no hydrogen 2.805 N/A GLN 83.A N ILE 74.A O no hydrogen 2.857 N/A TYR 84.A N SER 92.A O no hydrogen 2.811 N/A ILE 85.A N ARG 72.A O no hydrogen 2.847 N/A GLU 86.A N THR 90.A O no hydrogen 2.948 N/A ARG 87.A NE ASP 69.A O no hydrogen 3.117 N/A GLY 89.A N GLU 86.A O no hydrogen 2.996 N/A THR 90.A N ASP 88.A OD2 no hydrogen 3.122 N/A THR 90.A OG1 ASP 88.A OD1 no hydrogen 3.055 N/A THR 90.A OG1 ASP 88.A OD2 no hydrogen 2.771 N/A SER 92.A N TYR 84.A O no hydrogen 2.991 N/A TYR 93.A OH GLU 91.A OE1.A no hydrogen 3.391 N/A TYR 93.A OH GLU 91.A OE2.A no hydrogen 3.057 N/A LEU 94.A N LEU 82.A O no hydrogen 3.018 N/A THR 95.A OG1 SER 97.A OG no hydrogen 3.219 N/A VAL 96.A N ASP 80.A O no hydrogen 2.837 N/A SER 97.A N ASP 80.A OD1 no hydrogen 3.049 N/A SER 97.A OG THR 95.A OG1 no hydrogen 3.219 N/A SER 98.A N THR 95.A OG1 no hydrogen 3.107 N/A SER 98.A OG THR 95.A OG1 no hydrogen 2.697 N/A SER 98.A OG SER 98.A O no hydrogen 2.534 N/A HIS 99.A ND1 PRO 100.A O no hydrogen 3.134 N/A LEU 103.A N PRO 100.A O no hydrogen 3.112 N/A MET 104.A N ASN 101.A O no hydrogen 3.217 N/A LYS 105.A NZ TYR 52.A OH no hydrogen 3.553 N/A LYS 106.A NZ ASP 69.A OD2 no hydrogen 2.881 N/A LYS 106.A NZ THR 71.A OG1 no hydrogen 2.890 N/A LYS 106.A NZ TYR 84.A OH no hydrogen 2.814 N/A ILE 107.A N LEU 103.A O no hydrogen 2.879 N/A THR 108.A N MET 104.A O no hydrogen 2.994 N/A THR 108.A OG1 MET 104.A O no hydrogen 2.849 N/A LEU 109.A N LYS 105.A O no hydrogen 2.908 N/A LEU 110.A N LYS 106.A O no hydrogen 2.895 N/A LYS 111.A N ILE 107.A O no hydrogen 2.890 N/A TYR 112.A N THR 108.A O no hydrogen 2.964 N/A PHE 113.A N LEU 109.A O no hydrogen 2.989 N/A ARG 114.A N LEU 110.A O no hydrogen 2.873 N/A ASN 115.A N LYS 111.A O no hydrogen 2.902 N/A TYR 116.A N TYR 112.A O no hydrogen 2.908 N/A MET 117.A N PHE 113.A O no hydrogen 2.892 N/A SER 118.A N ARG 114.A O no hydrogen 3.040 N/A GLU 119.A N ASN 115.A O no hydrogen 3.041 N/A HIS 120.A N TYR 116.A O no hydrogen 2.888 N/A LEU 121.A N MET 117.A O no hydrogen 3.181 N/A LYS 123.A NZ CYS 59.A O no hydrogen 3.264 N/A LYS 123.A NZ ASN 61.A OD1 no hydrogen 3.288 N/A ALA 124.A N SER 43.A O no hydrogen 2.896 N/A TYR 135.A N SER 151.A OG no hydrogen 2.866 N/A LEU 136.A N TYR 56.A OH no hydrogen 3.156 N/A ARG 137.A N HIS 149.A O no hydrogen 2.877 N/A THR 138.A N HIS 149.A O no hydrogen 3.417 N/A PHE 140.A N ILE 147.A O no hydrogen 3.112 N/A ARG 141.A NH2 ASP 47.A OD2 no hydrogen 2.870 N/A THR 142.A N ALA 145.A O no hydrogen 2.832 N/A THR 142.A OG1 ALA 145.A O no hydrogen 3.367 N/A THR 142.A OG1 TYR 207.A OH no hydrogen 2.707 N/A SER 144.A N THR 142.A OG1 no hydrogen 3.203 N/A SER 144.A OG.B TYR 207.A OH no hydrogen 2.854 N/A ALA 145.A N THR 142.A OG1 no hydrogen 3.019 N/A ILE 146.A N ASN 158.A O no hydrogen 3.029 N/A ILE 147.A N PHE 140.A O no hydrogen 2.809 N/A LEU 148.A N GLN 156.A O no hydrogen 2.745 N/A HIS 149.A N THR 138.A O no hydrogen 2.924 N/A HIS 149.A ND1 SER 154.A O no hydrogen 3.279 N/A LEU 150.A N SER 154.A O no hydrogen 2.850 N/A SER 151.A N TYR 135.A O no hydrogen 2.774 N/A SER 151.A OG TYR 135.A O no hydrogen 3.451 N/A GLY 153.A N LEU 150.A O no hydrogen 2.949 N/A SER 154.A N ASN 152.A OD1 no hydrogen 3.054 N/A SER 154.A OG.A ASN 152.A OD1 no hydrogen 3.363 N/A SER 154.A OG.B ASN 152.A OD1 no hydrogen 2.740 N/A VAL 155.A N LEU 168.A O no hydrogen 2.874 N/A GLN 156.A N LEU 148.A O no hydrogen 2.773 N/A GLN 156.A NE2 VAL 42.A O no hydrogen 2.957 N/A GLN 156.A NE2 ASN 158.A OD1 no hydrogen 3.006 N/A ILE 157.A N LEU 166.A O no hydrogen 2.845 N/A ASN 158.A N ILE 146.A O no hydrogen 2.991 N/A PHE 159.A N THR 164.A O no hydrogen 2.823 N/A PHE 160.A N SER 144.A O no hydrogen 2.860 N/A THR 164.A N ASP 162.A OD1 no hydrogen 3.051 N/A THR 164.A OG1 ASP 162.A OD1 no hydrogen 2.809 N/A LYS 165.A N ILE 178.A O no hydrogen 2.987 N/A LYS 165.A NZ HIS 163.A O no hydrogen 3.305 N/A LEU 166.A N ILE 157.A O no hydrogen 2.856 N/A ILE 167.A N THR 176.A O no hydrogen 2.880 N/A LEU 168.A N VAL 155.A O no hydrogen 2.796 N/A CYS 169.A N ALA 174.A O no hydrogen 2.931 N/A ALA 174.A N CYS 169.A O no hydrogen 3.007 N/A VAL 175.A N TYR 187.A O no hydrogen 2.888 N/A THR 176.A N ILE 167.A O no hydrogen 2.801 N/A THR 176.A OG1 THR 186.A OG1 no hydrogen 2.751 N/A TYR 177.A N ARG 185.A O no hydrogen 2.820 N/A ILE 178.A N LYS 165.A O no hydrogen 2.902 N/A ASP 179.A N ASP 183.A O no hydrogen 3.053 N/A ARG 182.A N ASP 179.A O no hydrogen 2.851 N/A ASP 183.A N ASP 179.A OD1 no hydrogen 2.548 N/A ARG 185.A N TYR 177.A O no hydrogen 3.095 N/A ARG 185.A NE GLU 32.A OE2 no hydrogen 2.804 N/A ARG 185.A NH2 GLU 32.A OE1 no hydrogen 3.354 N/A ARG 185.A NH2 GLU 32.A OE2 no hydrogen 2.809 N/A THR 186.A OG1 THR 176.A OG1 no hydrogen 2.751 N/A TYR 187.A N VAL 175.A O no hydrogen 2.771 N/A ARG 188.A N ALA 31.A O no hydrogen 2.992 N/A ARG 188.A NE ASP 33.A OD2 no hydrogen 2.737 N/A LEU 189.A N ALA 173.A O no hydrogen 2.942 N/A LEU 191.A N ARG 188.A O no hydrogen 3.043 N/A LEU 192.A N ARG 188.A O no hydrogen 3.177 N/A GLU 193.A N LEU 189.A O no hydrogen 3.338 N/A TYR 195.A N LEU 191.A O no hydrogen 2.848 N/A GLY 196.A N LEU 192.A O no hydrogen 2.841 N/A CYS 197.A N PRO 20.A O no hydrogen 3.091 N/A CYS 197.A SG CYS 198.A O no hydrogen 3.611 N/A CYS 198.A N GLN 28.A OE1 no hydrogen 2.761 N/A CYS 198.A SG GLN 28.A OE1 no hydrogen 3.441 N/A ALA 202.A N CYS 198.A O no hydrogen 2.995 N/A SER 203.A N LYS 199.A O no hydrogen 2.926 N/A SER 203.A OG LYS 199.A O no hydrogen 3.299 N/A SER 203.A OG GLU 200.A O no hydrogen 2.870 N/A ARG 204.A N GLU 200.A O no hydrogen 3.296 N/A ARG 204.A NE THR 164.A OG1 no hydrogen 2.800 N/A ARG 204.A NH1 GLU 200.A O no hydrogen 2.834 N/A ARG 204.A NH2 ASP 162.A OD2 no hydrogen 2.410 N/A LEU 205.A N LEU 201.A O no hydrogen 2.920 N/A ARG 206.A N ALA 202.A O no hydrogen 3.037 N/A TYR 207.A N SER 203.A O no hydrogen 3.090 N/A TYR 207.A OH THR 142.A OG1 no hydrogen 2.707 N/A ALA 208.A N ARG 204.A O no hydrogen 2.865 N/A ARG 209.A N LEU 205.A O no hydrogen 3.129 N/A ARG 209.A NE ASP 213.A OD2 no hydrogen 2.849 N/A ARG 209.A NH1 HIS 13.A ND1 no hydrogen 2.984 N/A THR 210.A N ARG 206.A O no hydrogen 3.418 N/A THR 210.A OG1 ARG 206.A O no hydrogen 3.423 N/A MET 211.A N TYR 207.A O no hydrogen 2.980 N/A VAL 212.A N ALA 208.A O no hydrogen 2.914 N/A ASP 213.A N ARG 209.A O no hydrogen 2.964 N/A LYS 214.A N THR 210.A O no hydrogen 2.977 N/A LEU 215.A N MET 211.A O no hydrogen 2.990 N/A LEU 216.A N VAL 212.A O no hydrogen 2.884 N/A SER 217.A N ASP 213.A O no hydrogen 2.920 N/A SER 217.A N LYS 214.A O no hydrogen 3.236 N/A SER 217.A OG ASP 213.A O no hydrogen 3.395 N/A SER 217.A OG LYS 214.A O no hydrogen 3.060 N/A SER 218.A N LEU 215.A O no hydrogen 3.434 N/A SER 218.A OG LYS 214.A O no hydrogen 2.865 N/A