Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rm3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ASP 64.A OD1 no hydrogen 2.815 N/A TYR 5.A N ASP 64.A OD2 no hydrogen 3.000 N/A TYR 5.A OH GLU 63.A OE1 no hydrogen 2.739 N/A LEU 8.A N GLY 59.A O no hydrogen 2.791 N/A GLY 10.A N GLU 12.A OE2 no hydrogen 3.205 N/A ALA 11.A N LEU 8.A O no hydrogen 3.023 N/A PHE 14.A N LEU 52.A O no hydrogen 2.967 N/A ALA 16.A N VAL 50.A O no hydrogen 2.948 N/A ASN 18.A N THR 49.A OG1 no hydrogen 2.821 N/A ASN 18.A ND2 TYR 48.A O no hydrogen 2.979 N/A GLY 19.A N GLY 47.A O no hydrogen 3.090 N/A GLY 22.A N THR 90.A O no hydrogen 2.824 N/A VAL 23.A N THR 49.A O no hydrogen 2.818 N/A LEU 24.A N PHE 92.A O no hydrogen 2.870 N/A LEU 25.A N CYS 51.A O no hydrogen 2.892 N/A VAL 26.A N THR 94.A O no hydrogen 2.848 N/A HIS 27.A ND1 GLY 28.A O no hydrogen 2.963 N/A THR 30.A N HIS 58.A NE2 no hydrogen 3.044 N/A THR 30.A OG1 PHE 29.A O no hydrogen 2.629 N/A GLY 31.A N GLY 28.A O no hydrogen 3.018 N/A HIS 34.A N THR 32.A OG1 no hydrogen 3.002 N/A HIS 34.A NE2 LYS 152.A O no hydrogen 2.815 N/A SER 35.A N.A THR 32.A O no hydrogen 3.159 N/A SER 35.A N.B THR 32.A O no hydrogen 3.124 N/A SER 35.A OG.A THR 32.A O no hydrogen 3.215 N/A SER 35.A OG.B THR 32.A O no hydrogen 3.348 N/A SER 35.A OG.B GLU 153.A OE1 no hydrogen 3.228 N/A SER 35.A OG.B GLU 153.A OE2 no hydrogen 2.570 N/A MET 36.A N PRO 33.A O no hydrogen 2.918 N/A ARG 37.A N HIS 34.A O no hydrogen 3.391 N/A ARG 37.A NH1 GLU 12.A O no hydrogen 3.478 N/A ARG 37.A NH2 GLY 10.A O no hydrogen 3.000 N/A ARG 37.A NH2 GLU 12.A O no hydrogen 2.724 N/A ALA 40.A N MET 36.A O no hydrogen 2.995 N/A GLU 41.A N ARG 37.A O no hydrogen 2.896 N/A ALA 42.A N PRO 38.A O no hydrogen 3.089 N/A TYR 43.A N LEU 39.A O no hydrogen 2.883 N/A ALA 44.A N ALA 40.A O no hydrogen 2.975 N/A LYS 45.A N GLU 41.A O no hydrogen 2.979 N/A ALA 46.A N ALA 42.A O no hydrogen 3.035 N/A GLY 47.A N ALA 44.A O no hydrogen 2.941 N/A TYR 48.A N TYR 43.A O no hydrogen 3.066 N/A THR 49.A N VAL 21.A O no hydrogen 3.004 N/A THR 49.A OG1 GLY 19.A O no hydrogen 2.676 N/A VAL 50.A N ALA 16.A O no hydrogen 2.871 N/A CYS 51.A N VAL 23.A O no hydrogen 2.955 N/A CYS 51.A SG GLY 80.A O no hydrogen 3.833 N/A LEU 52.A N PHE 14.A O no hydrogen 2.779 N/A ARG 54.A NH1 GLU 3.A OE1 no hydrogen 3.301 N/A ARG 54.A NH1 GLU 3.A OE2 no hydrogen 2.874 N/A ARG 54.A NH1 HIS 58.A O no hydrogen 2.849 N/A ARG 54.A NH2 GLU 3.A OE1 no hydrogen 2.980 N/A LEU 55.A N HIS 27.A NE2 no hydrogen 3.047 N/A LYS 56.A N SER 76.A OG no hydrogen 2.943 N/A LYS 56.A NZ MET 1.A O no hydrogen 2.783 N/A GLY 57.A N GLU 3.A OE2 no hydrogen 2.868 N/A HIS 58.A N LEU 55.A O no hydrogen 2.945 N/A HIS 58.A ND1 LYS 56.A O no hydrogen 3.050 N/A THR 60.A N TYR 156.A OH no hydrogen 2.923 N/A THR 60.A OG1 ASP 64.A OD2 no hydrogen 2.731 N/A HIS 61.A N THR 60.A OG1 no hydrogen 2.725 N/A GLU 63.A N HIS 61.A ND1 no hydrogen 2.900 N/A ASP 64.A N HIS 61.A O no hydrogen 2.902 N/A MET 65.A N HIS 61.A O no hydrogen 3.217 N/A GLU 66.A N TYR 62.A O no hydrogen 2.896 N/A ARG 67.A N ASP 64.A O no hydrogen 3.039 N/A ARG 67.A NH1.B SER 2.A O no hydrogen 3.207 N/A ARG 67.A NH2.A ASP 64.A OD1 no hydrogen 2.835 N/A ARG 67.A NH2.B SER 2.A O no hydrogen 2.907 N/A ARG 67.A NH2.B ASP 64.A OD1 no hydrogen 2.485 N/A THR 68.A N MET 65.A O no hydrogen 2.918 N/A THR 68.A OG1 MET 65.A O no hydrogen 2.660 N/A THR 69.A N ASP 72.A OD2 no hydrogen 2.853 N/A PHE 70.A N GLN 166.A OE1 no hydrogen 2.933 N/A ASP 72.A N THR 69.A O no hydrogen 2.930 N/A TRP 73.A N THR 69.A O no hydrogen 3.417 N/A TRP 73.A NE1 THR 68.A OG1 no hydrogen 2.912 N/A VAL 74.A N PHE 70.A O no hydrogen 2.893 N/A ALA 75.A N HIS 71.A O no hydrogen 2.924 N/A SER 76.A N ASP 72.A O no hydrogen 3.064 N/A SER 76.A OG ASP 72.A O no hydrogen 3.339 N/A VAL 77.A N TRP 73.A O no hydrogen 3.243 N/A GLU 78.A N VAL 74.A O no hydrogen 2.778 N/A GLU 79.A N ALA 75.A O no hydrogen 2.826 N/A GLY 80.A N SER 76.A O no hydrogen 3.090 N/A TYR 81.A N VAL 77.A O no hydrogen 2.842 N/A TYR 81.A OH HIS 110.A ND1 no hydrogen 3.356 N/A TYR 81.A OH ASP 112.A OD1 no hydrogen 2.500 N/A TYR 81.A OH ASP 112.A OD2 no hydrogen 2.584 N/A GLY 82.A N GLU 78.A O no hydrogen 2.872 N/A TRP 83.A N GLU 79.A O no hydrogen 2.926 N/A LEU 84.A N GLY 80.A O no hydrogen 3.054 N/A LYS 85.A N TYR 81.A O no hydrogen 2.827 N/A GLN 86.A N GLY 82.A O no hydrogen 3.099 N/A ARG 87.A N LEU 84.A O no hydrogen 2.887 N/A ARG 87.A NE GLU 17.A OE2 no hydrogen 2.833 N/A ARG 87.A NH1 TRP 83.A O no hydrogen 2.830 N/A CYS 88.A N LEU 84.A O no hydrogen 2.777 N/A GLN 89.A N PRO 20.A O no hydrogen 2.872 N/A THR 90.A N PRO 20.A O no hydrogen 3.406 N/A PHE 92.A N GLY 22.A O no hydrogen 2.893 N/A VAL 93.A N GLY 115.A O no hydrogen 3.147 N/A THR 94.A N LEU 24.A O no hydrogen 2.859 N/A THR 94.A OG1 VAL 117.A O no hydrogen 2.721 N/A GLY 95.A N VAL 117.A O no hydrogen 3.325 N/A LEU 96.A N VAL 26.A O no hydrogen 3.093 N/A SER 97.A N ILE 119.A O no hydrogen 2.885 N/A SER 97.A OG HIS 223.A NE2 no hydrogen 2.738 N/A GLY 99.A N LEU 96.A O no hydrogen 2.764 N/A THR 101.A N SER 97.A O no hydrogen 2.998 N/A THR 101.A OG1 SER 97.A O no hydrogen 3.317 N/A THR 101.A OG1 ALA 122.A O no hydrogen 2.642 N/A LEU 102.A N MET 98.A O no hydrogen 2.818 N/A THR 103.A N GLY 99.A O no hydrogen 2.932 N/A THR 103.A OG1 GLY 99.A O no hydrogen 2.887 N/A LEU 104.A N GLY 100.A O no hydrogen 3.009 N/A TYR 105.A N THR 101.A O no hydrogen 2.886 N/A LEU 106.A N LEU 102.A O no hydrogen 2.887 N/A ALA 107.A N THR 103.A O no hydrogen 3.043 N/A GLU 108.A N LEU 104.A O no hydrogen 2.910 N/A HIS 109.A N LEU 106.A O no hydrogen 2.975 N/A HIS 109.A ND1 TYR 105.A O no hydrogen 2.773 N/A HIS 110.A NE2 GLU 78.A OE1 no hydrogen 2.932 N/A HIS 110.A NE2 GLU 78.A OE2 no hydrogen 2.969 N/A ILE 113.A N HIS 110.A O no hydrogen 3.275 N/A CYS 114.A N.A ILE 91.A O no hydrogen 2.826 N/A CYS 114.A N.B ILE 91.A O no hydrogen 2.856 N/A CYS 114.A SG.A HIS 245.A O no hydrogen 2.893 N/A CYS 114.A SG.B ASP 112.A O no hydrogen 3.640 N/A ILE 116.A N PRO 184.A O no hydrogen 2.959 N/A VAL 117.A N VAL 93.A O no hydrogen 2.847 N/A ILE 119.A N GLY 95.A O no hydrogen 2.823 N/A ASN 120.A N PHE 188.A O no hydrogen 2.965 N/A ASN 120.A ND2 SER 190.A OG no hydrogen 3.050 N/A ASN 120.A ND2 TYR 222.A O no hydrogen 3.665 N/A ASN 120.A ND2 HIS 223.A O no hydrogen 2.929 N/A VAL 123.A N ASN 200.A OD1 no hydrogen 2.750 N/A ASP 124.A N ASN 200.A OD1 no hydrogen 2.859 N/A ILE 128.A N ILE 125.A O no hydrogen 3.008 N/A ALA 130.A N PRO 126.A O no hydrogen 3.135 N/A GLY 131.A N ALA 127.A O no hydrogen 2.817 N/A GLY 131.A N ILE 128.A O no hydrogen 3.194 N/A MET 132.A N ILE 128.A O no hydrogen 3.477 N/A THR 133.A OG1 ALA 129.A O no hydrogen 3.323 N/A ARG 137.A NE GLU 66.A OE1 no hydrogen 3.445 N/A ARG 137.A NE GLU 66.A OE2 no hydrogen 2.686 N/A ARG 137.A NH2 GLU 66.A OE1 no hydrogen 3.507 N/A TYR 138.A OH GLU 66.A OE1 no hydrogen 2.537 N/A LEU 139.A N THR 159.A O no hydrogen 2.836 N/A SER 141.A N GLU 157.A O no hydrogen 2.981 N/A SER 141.A OG TYR 156.A O no hydrogen 2.829 N/A SER 141.A OG THR 159.A OG1 no hydrogen 3.013 N/A LYS 147.A N ASP 228.A OD2 no hydrogen 2.751 N/A LYS 147.A NZ ASN 220.A OD1 no hydrogen 2.784 N/A ASN 148.A N ASP 228.A OD1 no hydrogen 2.978 N/A ASP 150.A N ASN 148.A OD1 no hydrogen 2.968 N/A VAL 151.A N ASN 148.A O no hydrogen 3.405 N/A LEU 154.A N GLU 153.A OE1 no hydrogen 2.870 N/A TYR 156.A N THR 30.A O no hydrogen 3.016 N/A TYR 156.A OH GLY 57.A O no hydrogen 2.630 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.791 N/A THR 159.A N LEU 139.A O no hydrogen 2.793 N/A THR 159.A OG1 SER 141.A OG no hydrogen 3.013 N/A THR 161.A N ARG 137.A O no hydrogen 3.021 N/A THR 161.A OG1 PRO 136.A O no hydrogen 3.063 N/A THR 161.A OG1 ARG 137.A O no hydrogen 3.307 N/A SER 163.A N PRO 160.A O no hydrogen 3.000 N/A SER 163.A OG MET 65.A O no hydrogen 3.566 N/A LEU 164.A N PRO 160.A O no hydrogen 3.291 N/A LEU 165.A N THR 161.A O no hydrogen 3.255 N/A GLN 166.A N ALA 162.A O no hydrogen 3.314 N/A LEU 167.A N SER 163.A O no hydrogen 2.929 N/A ALA 168.A N LEU 164.A O no hydrogen 2.890 N/A ARG 169.A N LEU 165.A O no hydrogen 3.006 N/A LEU 170.A N GLN 166.A O no hydrogen 2.948 N/A MET 171.A N LEU 167.A O no hydrogen 2.861 N/A ALA 172.A N ALA 168.A O no hydrogen 2.974 N/A GLN 173.A N ARG 169.A O no hydrogen 3.050 N/A THR 174.A N LEU 170.A O no hydrogen 2.917 N/A THR 174.A OG1 LEU 170.A O no hydrogen 2.818 N/A LYS 175.A N MET 171.A O no hydrogen 2.788 N/A LYS 175.A NZ ASP 124.A OD2 no hydrogen 3.285 N/A ALA 176.A N ALA 172.A O no hydrogen 3.036 N/A LYS 177.A N THR 174.A O no hydrogen 3.258 N/A LYS 177.A NZ HIS 109.A NE2 no hydrogen 3.126 N/A LEU 178.A N LYS 175.A O no hydrogen 3.403 N/A ARG 180.A N LYS 177.A O no hydrogen 2.997 N/A ILE 181.A N LEU 178.A O no hydrogen 3.052 N/A CYS 183.A SG PRO 184.A O no hydrogen 3.824 N/A ALA 185.A N GLU 212.A O no hydrogen 2.915 N/A LEU 186.A N ILE 116.A O no hydrogen 2.945 N/A ILE 187.A N GLU 214.A O no hydrogen 2.901 N/A PHE 188.A N PRO 118.A O no hydrogen 2.983 N/A VAL 189.A N VAL 216.A O no hydrogen 3.011 N/A SER 190.A N ASN 120.A OD1 no hydrogen 2.811 N/A SER 190.A OG TYR 222.A O no hydrogen 2.805 N/A ASP 191.A N LEU 218.A O no hydrogen 3.047 N/A ASP 193.A N SER 190.A O no hydrogen 3.102 N/A HIS 194.A N ASP 145.A OD2 no hydrogen 2.947 N/A HIS 194.A ND1 ASP 145.A OD1 no hydrogen 2.708 N/A VAL 195.A N ASP 193.A OD1 no hydrogen 2.783 N/A VAL 196.A N ASP 193.A OD1 no hydrogen 2.865 N/A ASN 200.A N PRO 197.A O no hydrogen 2.950 N/A ASN 200.A ND2 ASP 124.A O no hydrogen 2.916 N/A ASN 200.A ND2 PRO 197.A O no hydrogen 2.893 N/A ALA 201.A N PRO 198.A O no hydrogen 2.995 N/A ASP 202.A N GLY 199.A O no hydrogen 2.935 N/A ILE 203.A N GLY 199.A O no hydrogen 3.019 N/A ILE 204.A N ASN 200.A O no hydrogen 3.013 N/A PHE 205.A N ALA 201.A O no hydrogen 2.882 N/A GLN 206.A N ASP 202.A O no hydrogen 2.955 N/A GLY 207.A N ILE 203.A O no hydrogen 2.889 N/A GLY 207.A N ILE 204.A O no hydrogen 3.134 N/A ILE 208.A N ILE 204.A O no hydrogen 3.022 N/A SER 209.A N ILE 181.A O no hydrogen 2.787 N/A SER 209.A OG ASP 179.A O no hydrogen 2.649 N/A SER 210.A OG ILE 181.A O no hydrogen 3.527 N/A SER 210.A OG CYS 183.A O no hydrogen 2.641 N/A LYS 213.A NZ PHE 205.A O no hydrogen 2.794 N/A GLU 214.A N ALA 185.A O no hydrogen 3.151 N/A VAL 216.A N ILE 187.A O no hydrogen 2.806 N/A ARG 217.A NH2 ASP 202.A OD1 no hydrogen 3.556 N/A LEU 218.A N VAL 189.A O no hydrogen 2.761 N/A ARG 219.A NE ASP 191.A OD2 no hydrogen 2.823 N/A ASN 220.A N ASP 230.A OD2 no hydrogen 2.898 N/A SER 221.A OG ASP 230.A OD2 no hydrogen 2.729 N/A TYR 222.A N ASP 228.A OD2 no hydrogen 2.868 N/A HIS 223.A N ASP 145.A OD2 no hydrogen 2.968 N/A HIS 223.A ND1 ASP 193.A OD2 no hydrogen 2.680 N/A HIS 223.A NE2 SER 97.A OG no hydrogen 2.738 N/A VAL 224.A N ASP 145.A O no hydrogen 3.018 N/A ALA 225.A N HIS 223.A O no hydrogen 2.827 N/A THR 226.A OG1 SER 35.A O.A no hydrogen 2.659 N/A THR 226.A OG1 SER 35.A O.B no hydrogen 2.859 N/A LEU 227.A N VAL 224.A O no hydrogen 3.150 N/A ASP 228.A N ALA 225.A O no hydrogen 3.130 N/A TYR 229.A N ASP 228.A OD1 no hydrogen 3.089 N/A ASP 230.A N SER 221.A OG no hydrogen 3.181 N/A GLN 231.A N ASP 228.A O no hydrogen 2.994 N/A GLN 231.A NE2 THR 226.A O no hydrogen 2.841 N/A ILE 234.A N ASP 230.A O no hydrogen 3.074 N/A ILE 235.A N GLN 231.A O no hydrogen 2.988 N/A GLU 236.A N PRO 232.A O no hydrogen 2.914 N/A ARG 237.A N MET 233.A O no hydrogen 2.896 N/A SER 238.A N ILE 234.A O no hydrogen 2.942 N/A SER 238.A OG ILE 234.A O no hydrogen 2.771 N/A LEU 239.A N ILE 235.A O no hydrogen 2.948 N/A GLU 240.A N GLU 236.A O no hydrogen 3.064 N/A PHE 241.A N ARG 237.A O no hydrogen 3.010 N/A PHE 242.A N SER 238.A O no hydrogen 2.882 N/A ALA 243.A N LEU 239.A O no hydrogen 3.125 N/A LYS 244.A N GLU 240.A O no hydrogen 3.048 N/A HIS 245.A N PHE 241.A O no hydrogen 3.149 N/A ALA 246.A N PHE 242.A O no hydrogen 2.956 N/A