Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mpg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N LYS 57.A O no hydrogen 2.992 N/A LEU 4.A N GLU 28.A O no hydrogen 2.888 N/A PHE 5.A N THR 55.A O no hydrogen 2.825 N/A LEU 6.A N ARG 30.A O no hydrogen 3.091 N/A VAL 9.A N ASP 7.A OD1 no hydrogen 3.018 N/A SER 10.A N ASP 7.A O no hydrogen 2.830 N/A SER 10.A OG SER 13.A OG no hydrogen 3.067 N/A GLN 11.A N GLN 11.A OE1 no hydrogen 2.761 N/A SER 13.A N SER 10.A OG no hydrogen 3.282 N/A SER 13.A OG SER 10.A OG no hydrogen 3.067 N/A ARG 14.A N SER 10.A O no hydrogen 3.005 N/A ARG 14.A NE GLU 169.A OE2 no hydrogen 2.734 N/A ARG 14.A NH1 LEU 8.A O no hydrogen 3.024 N/A ARG 14.A NH1 GLN 173.A OE1 no hydrogen 2.951 N/A ARG 14.A NH2 GLU 169.A O no hydrogen 2.731 N/A ARG 14.A NH2 GLN 173.A OE1 no hydrogen 2.778 N/A ALA 15.A N GLN 11.A O no hydrogen 3.002 N/A VAL 16.A N PRO 12.A O no hydrogen 3.175 N/A TYR 17.A N SER 13.A O no hydrogen 2.995 N/A TYR 17.A OH GLU 206.A OE1 no hydrogen 2.971 N/A ILE 18.A N ARG 14.A O no hydrogen 2.946 N/A PHE 19.A N ALA 15.A O no hydrogen 3.145 N/A ALA 20.A N VAL 16.A O no hydrogen 3.013 N/A LYS 21.A N TYR 17.A O no hydrogen 2.907 N/A LYS 22.A N ILE 18.A O no hydrogen 2.842 N/A LYS 22.A NZ PHE 198.A O no hydrogen 2.744 N/A ASN 23.A N PHE 19.A O no hydrogen 3.132 N/A ASN 23.A ND2 PHE 19.A O no hydrogen 2.810 N/A GLY 24.A N LYS 21.A O no hydrogen 3.148 N/A ILE 25.A N ALA 20.A O no hydrogen 2.982 N/A GLU 28.A N LEU 2.A O no hydrogen 2.785 N/A ARG 30.A N LEU 4.A O no hydrogen 2.730 N/A ARG 30.A NE.A GLU 3.A OE1 no hydrogen 2.680 N/A ARG 30.A NE.B GLU 3.A OE1 no hydrogen 2.977 N/A ARG 30.A NH1.A GLU 3.A OE1 no hydrogen 3.339 N/A VAL 32.A N LEU 6.A O no hydrogen 2.951 N/A ASP 33.A N GLN 38.A OE1 no hydrogen 2.947 N/A LEU 34.A N ASP 7.A OD2 no hydrogen 2.925 N/A LYS 36.A N ASP 33.A OD1 no hydrogen 3.115 N/A GLY 37.A N ASP 33.A O no hydrogen 3.046 N/A GLN 38.A N ASP 33.A O no hydrogen 3.094 N/A HIS 39.A ND1 GLY 51.A O no hydrogen 3.285 N/A LYS 40.A N GLY 37.A O no hydrogen 2.868 N/A LYS 40.A NZ LEU 50.A O no hydrogen 3.362 N/A LYS 40.A NZ GLY 51.A O no hydrogen 2.991 N/A SER 41.A N GLN 38.A O no hydrogen 3.165 N/A SER 41.A OG GLN 38.A O no hydrogen 2.756 N/A PHE 44.A N SER 41.A OG no hydrogen 3.300 N/A LEU 45.A N SER 41.A O no hydrogen 3.011 N/A GLN 46.A N LYS 42.A O no hydrogen 3.109 N/A ILE 47.A N PHE 44.A O no hydrogen 2.819 N/A ASN 48.A N PHE 44.A O no hydrogen 2.864 N/A ASN 48.A ND2 LYS 52.A O no hydrogen 3.039 N/A ASN 48.A ND2 THR 55.A OG1 no hydrogen 3.248 N/A LEU 50.A N ASN 48.A OD1 no hydrogen 3.056 N/A GLY 51.A N ASN 48.A O no hydrogen 2.752 N/A THR 55.A N PHE 5.A O no hydrogen 3.048 N/A THR 55.A OG1 LYS 52.A O no hydrogen 2.879 N/A LEU 56.A N LEU 63.A O no hydrogen 2.869 N/A LYS 57.A N GLU 3.A O no hydrogen 2.885 N/A LYS 57.A NZ GLY 59.A O no hydrogen 2.697 N/A ASP 58.A N PHE 61.A O no hydrogen 2.865 N/A PHE 61.A N ASP 58.A O no hydrogen 3.173 N/A LEU 63.A N LEU 56.A O no hydrogen 2.837 N/A ILE 69.A N GLU 65.A O no hydrogen 2.865 N/A LEU 70.A N SER 66.A O no hydrogen 2.780 N/A ILE 71.A N SER 67.A O no hydrogen 3.121 N/A TYR 72.A N ALA 68.A O no hydrogen 2.900 N/A TYR 72.A OH ASP 58.A OD2 no hydrogen 2.985 N/A LEU 73.A N ILE 69.A O no hydrogen 2.935 N/A SER 74.A N LEU 70.A O no hydrogen 3.035 N/A SER 74.A OG ILE 71.A O no hydrogen 2.564 N/A CYS 75.A N ILE 71.A O no hydrogen 3.099 N/A CYS 75.A SG ILE 71.A O no hydrogen 3.356 N/A CYS 75.A SG SER 74.A OG no hydrogen 3.704 N/A LYS 76.A N TYR 72.A O no hydrogen 2.782 N/A LYS 76.A NZ ASP 58.A OD2 no hydrogen 2.674 N/A TYR 77.A N LEU 73.A O no hydrogen 2.993 N/A GLN 78.A N CYS 75.A O no hydrogen 3.252 N/A THR 79.A N SER 74.A O no hydrogen 3.141 N/A THR 79.A OG1 SER 74.A O no hydrogen 3.317 N/A TRP 83.A N PRO 80.A O no hydrogen 3.108 N/A TYR 84.A N ASP 81.A O no hydrogen 3.004 N/A TYR 84.A OH HIS 95.A NE2 no hydrogen 2.680 N/A SER 86.A N ASP 81.A OD1 no hydrogen 3.384 N/A SER 86.A N ASP 81.A OD2 no hydrogen 3.390 N/A SER 86.A OG ASP 81.A OD1 no hydrogen 3.321 N/A ALA 90.A N ASP 87.A OD2 no hydrogen 3.276 N/A ARG 91.A N ASP 87.A O no hydrogen 2.816 N/A ARG 91.A NH2 PRO 85.A O no hydrogen 3.423 N/A ALA 92.A N LEU 88.A O no hydrogen 3.131 N/A ARG 93.A N GLN 89.A O no hydrogen 3.048 N/A ARG 93.A NH2 GLU 96.A OE1 no hydrogen 2.747 N/A VAL 94.A N ALA 90.A O no hydrogen 3.392 N/A HIS 95.A N ARG 91.A O no hydrogen 3.024 N/A HIS 95.A NE2 TYR 84.A OH no hydrogen 2.680 N/A GLU 96.A N ALA 92.A O no hydrogen 2.674 N/A TYR 97.A N ARG 93.A O no hydrogen 3.033 N/A TYR 97.A OH HIS 101.A ND1 no hydrogen 2.848 N/A LEU 98.A N VAL 94.A O no hydrogen 2.970 N/A GLY 99.A N HIS 95.A O no hydrogen 2.984 N/A TRP 100.A N GLU 96.A O no hydrogen 3.128 N/A HIS 101.A N TYR 97.A O no hydrogen 2.747 N/A HIS 101.A ND1 TYR 97.A OH no hydrogen 2.848 N/A ALA 102.A N LEU 98.A O no hydrogen 3.156 N/A ASP 103.A N GLY 99.A O no hydrogen 3.329 N/A ARG 105.A N HIS 101.A O no hydrogen 2.884 N/A ARG 105.A NH1 GLN 11.A OE1 no hydrogen 2.923 N/A ARG 105.A NH1 GLU 170.A OE1 no hydrogen 2.846 N/A THR 107.A N ILE 104.A O no hydrogen 3.020 N/A PHE 108.A N ILE 104.A O no hydrogen 3.035 N/A ILE 110.A N THR 107.A O no hydrogen 3.465 N/A LEU 112.A N GLY 109.A O no hydrogen 3.144 N/A TRP 113.A N ILE 110.A O no hydrogen 2.826 N/A VAL 114.A N ILE 110.A O no hydrogen 2.980 N/A GLN 115.A N PRO 111.A O no hydrogen 2.838 N/A GLN 115.A NE2 LEU 177.A O no hydrogen 3.195 N/A VAL 116.A N LEU 112.A O no hydrogen 2.878 N/A LEU 117.A N LEU 112.A O no hydrogen 2.911 N/A GLY 118.A N TRP 113.A O no hydrogen 2.967 N/A LEU 120.A N VAL 116.A O no hydrogen 3.091 N/A ILE 121.A N GLY 118.A O no hydrogen 2.947 N/A GLY 122.A N PRO 119.A O no hydrogen 3.045 N/A VAL 123.A N GLY 118.A O no hydrogen 2.900 N/A LYS 129.A N PRO 126.A O no hydrogen 2.917 N/A LYS 129.A NZ ILE 241.A O no hydrogen 2.871 N/A VAL 130.A N PRO 126.A O no hydrogen 3.222 N/A GLU 131.A N LYS 127.A O no hydrogen 2.973 N/A ARG 132.A N GLU 128.A O no hydrogen 3.047 N/A ARG 132.A NH1 PRO 242.A OXT no hydrogen 3.098 N/A ARG 132.A NH2 GLU 128.A OE1 no hydrogen 3.163 N/A ASN 133.A N LYS 129.A O no hydrogen 2.879 N/A ASN 133.A ND2 THR 107.A O no hydrogen 2.937 N/A ARG 134.A N VAL 130.A O no hydrogen 2.972 N/A ARG 134.A NE.A GLU 131.A OE1 no hydrogen 3.331 N/A ARG 134.A NE.A GLU 131.A OE2 no hydrogen 3.209 N/A ARG 134.A NH2.A GLU 131.A OE1 no hydrogen 2.696 N/A THR 135.A N GLU 131.A O no hydrogen 3.032 N/A THR 135.A OG1 GLU 131.A O no hydrogen 3.071 N/A ALA 136.A N ARG 132.A O no hydrogen 2.905 N/A MET 137.A N ASN 133.A O no hydrogen 2.810 N/A ASP 138.A N ARG 134.A O no hydrogen 3.052 N/A GLN 139.A N THR 135.A O no hydrogen 2.988 N/A ALA 140.A N ALA 136.A O no hydrogen 3.003 N/A LEU 141.A N MET 137.A O no hydrogen 2.875 N/A GLN 142.A N ASP 138.A O no hydrogen 3.098 N/A GLN 142.A NE2 ASP 146.A OD1 no hydrogen 3.547 N/A GLN 142.A NE2 ASP 146.A OD2 no hydrogen 3.120 N/A TRP 143.A N GLN 139.A O no hydrogen 3.141 N/A LEU 144.A N ALA 140.A O no hydrogen 2.940 N/A GLU 145.A N LEU 141.A O no hydrogen 2.994 N/A ASP 146.A N GLN 142.A O no hydrogen 2.836 N/A LYS 147.A N TRP 143.A O no hydrogen 2.800 N/A LYS 147.A NZ GLU 96.A OE2 no hydrogen 3.258 N/A PHE 148.A N TRP 143.A O no hydrogen 3.295 N/A LEU 149.A N LEU 144.A O no hydrogen 2.815 N/A GLY 150.A N GLU 145.A O no hydrogen 2.822 N/A ARG 152.A N LEU 149.A O no hydrogen 2.944 N/A ARG 152.A NH1 PHE 148.A O no hydrogen 3.016 N/A PHE 154.A N GLY 157.A O no hydrogen 3.156 N/A LEU 155.A N ASP 164.A OD1 no hydrogen 2.921 N/A THR 161.A N ASP 164.A OD2 no hydrogen 2.840 N/A THR 161.A OG1 ASP 164.A OD2 no hydrogen 3.387 N/A LEU 162.A N TRP 83.A O no hydrogen 3.216 N/A ALA 163.A N THR 161.A OG1 no hydrogen 3.271 N/A ASP 164.A N THR 161.A O no hydrogen 3.014 N/A MET 166.A N LEU 162.A O no hydrogen 3.109 N/A ALA 167.A N ALA 163.A O no hydrogen 2.977 N/A LEU 168.A N ASP 164.A O no hydrogen 2.874 N/A GLU 169.A N LEU 165.A O no hydrogen 3.239 N/A GLU 170.A N MET 166.A O no hydrogen 3.299 N/A LEU 171.A N ALA 167.A O no hydrogen 2.983 N/A MET 172.A N LEU 168.A O no hydrogen 2.891 N/A GLN 173.A N GLU 170.A O no hydrogen 3.089 N/A GLN 173.A NE2 VAL 9.A O no hydrogen 3.014 N/A VAL 175.A N LEU 171.A O no hydrogen 3.424 N/A ALA 176.A N MET 172.A O no hydrogen 2.867 N/A LEU 177.A N PRO 174.A O no hydrogen 2.936 N/A GLY 178.A N VAL 175.A O no hydrogen 3.057 N/A TYR 179.A N PRO 174.A O no hydrogen 3.015 N/A LEU 181.A N TYR 179.A O no hydrogen 3.001 N/A GLU 183.A N GLU 180.A O no hydrogen 3.231 N/A ARG 185.A N.A PHE 182.A O no hydrogen 3.258 N/A ARG 185.A N.B PHE 182.A O no hydrogen 3.173 N/A ARG 185.A NH1.A GLN 142.A OE1 no hydrogen 2.951 N/A ARG 185.A NH1.A GLU 145.A OE1 no hydrogen 2.885 N/A ARG 185.A NH2.B LEU 181.A O no hydrogen 2.614 N/A ARG 187.A NE GLY 150.A O no hydrogen 3.154 N/A ARG 187.A NH1 ASP 146.A OD1 no hydrogen 3.353 N/A LEU 188.A N GLU 145.A OE2 no hydrogen 3.146 N/A ALA 189.A N ARG 185.A O.A no hydrogen 2.926 N/A ALA 189.A N ARG 185.A O.B no hydrogen 2.798 N/A ALA 190.A N PRO 186.A O.A no hydrogen 2.818 N/A ALA 190.A N PRO 186.A O.B no hydrogen 2.895 N/A TRP 191.A N ARG 187.A O no hydrogen 3.015 N/A TRP 191.A NE1 ASP 164.A OD1 no hydrogen 2.812 N/A ARG 192.A N LEU 188.A O no hydrogen 2.963 N/A ARG 192.A NE GLU 196.A OE2 no hydrogen 3.469 N/A GLY 193.A N ALA 189.A O no hydrogen 3.026 N/A ARG 194.A N ALA 190.A O no hydrogen 2.861 N/A ARG 194.A NH1 PRO 153.A O no hydrogen 2.826 N/A VAL 195.A N TRP 191.A O no hydrogen 2.923 N/A GLU 196.A N ARG 192.A O no hydrogen 2.850 N/A ALA 197.A N GLY 193.A O no hydrogen 2.871 N/A PHE 198.A N ARG 194.A O no hydrogen 3.083 N/A LEU 199.A N VAL 195.A O no hydrogen 3.008 N/A GLY 200.A N GLU 196.A O no hydrogen 2.972 N/A CYS 204.A N GLY 200.A O no hydrogen 3.159 N/A CYS 204.A SG GLY 200.A O no hydrogen 3.412 N/A GLN 205.A N ALA 201.A O no hydrogen 2.993 N/A GLU 206.A N GLU 202.A O no hydrogen 2.983 N/A ALA 207.A N LEU 203.A O no hydrogen 3.023 N/A HIS 208.A N CYS 204.A O no hydrogen 2.938 N/A HIS 208.A NE2 GLU 169.A OE1 no hydrogen 2.736 N/A LEU 212.A N HIS 208.A O no hydrogen 2.885 N/A SER 213.A N ILE 210.A O no hydrogen 3.065 N/A SER 213.A OG SER 209.A O no hydrogen 3.154 N/A SER 213.A OG ILE 210.A O no hydrogen 3.089 N/A ILE 214.A N ILE 211.A O no hydrogen 3.392 N/A GLN 217.A N SER 213.A O no hydrogen 3.114 N/A ALA 218.A N ILE 214.A O no hydrogen 2.882 N/A ALA 219.A N LEU 215.A O no hydrogen 2.969 N/A LYS 220.A N GLU 216.A O no hydrogen 2.820 N/A LYS 220.A NZ GLU 216.A OE1 no hydrogen 3.267 N/A LYS 221.A N ALA 218.A O no hydrogen 3.132 N/A THR 222.A N GLN 217.A O no hydrogen 3.021 N/A THR 222.A OG1 THR 222.A O no hydrogen 2.656 N/A SER 227.A N LYS 36.A O no hydrogen 2.961 N/A SER 227.A OG GLU 229.A OE1 no hydrogen 3.384 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.890 N/A ALA 230.A N SER 227.A OG no hydrogen 3.089 N/A TYR 231.A N SER 227.A O no hydrogen 2.842 N/A GLN 232.A N PRO 228.A O no hydrogen 2.940 N/A ALA 233.A N GLU 229.A O no hydrogen 3.043 N/A MET 234.A N ALA 230.A O no hydrogen 2.726 N/A LEU 235.A N TYR 231.A O no hydrogen 2.932 N/A LEU 236.A N GLN 232.A O no hydrogen 3.197 N/A ARG 237.A N ALA 233.A O no hydrogen 2.981 N/A ARG 237.A NH2 ARG 237.A O no hydrogen 2.836 N/A ILE 238.A N MET 234.A O no hydrogen 2.840 N/A ALA 239.A N LEU 235.A O no hydrogen 3.016 N/A ARG 240.A N LEU 236.A O no hydrogen 3.156 N/A ARG 240.A N ARG 237.A O no hydrogen 3.126 N/A ILE 241.A N ILE 238.A O no hydrogen 3.142 N/A