Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4upg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 GLN 1.A O no hydrogen 2.774 N/A THR 2.A OG1 GLN 3.A O no hydrogen 3.555 N/A LEU 6.A N ASP 4.A OD1 no hydrogen 2.855 N/A TYR 7.A N ASP 4.A O no hydrogen 3.096 N/A PHE 10.A N LEU 6.A O no hydrogen 3.475 N/A ALA 11.A N TYR 7.A O no hydrogen 2.762 N/A ALA 12.A N GLY 8.A O no hydrogen 3.097 N/A VAL 13.A N PHE 10.A O no hydrogen 3.011 N/A ALA 14.A N PHE 10.A O no hydrogen 2.925 N/A GLY 15.A N GLN 19.A O no hydrogen 2.857 N/A GLY 18.A N GLY 15.A O no hydrogen 2.939 N/A GLN 19.A N ASP 17.A OD1 no hydrogen 3.003 N/A ILE 20.A N MET 61.A O no hydrogen 2.937 N/A ASP 21.A N GLU 24.A OE1 no hydrogen 2.988 N/A GLU 24.A N ASP 21.A OD1 no hydrogen 2.891 N/A LEU 25.A N ASP 21.A O no hydrogen 2.875 N/A GLN 26.A N ALA 22.A O no hydrogen 2.840 N/A ARG 27.A N ASP 23.A O no hydrogen 3.343 N/A ARG 27.A NE ASP 23.A OD1 no hydrogen 3.482 N/A ARG 27.A NH2 ASP 23.A OD1 no hydrogen 2.973 N/A CYS 28.A N GLU 24.A O no hydrogen 3.060 N/A CYS 28.A SG GLU 24.A O no hydrogen 3.467 N/A CYS 28.A SG LEU 25.A O no hydrogen 3.758 N/A LEU 29.A N LEU 25.A O no hydrogen 2.838 N/A THR 30.A N GLN 26.A O no hydrogen 3.104 N/A THR 30.A OG1 GLN 26.A O no hydrogen 3.128 N/A GLN 31.A N ARG 27.A O no hydrogen 2.896 N/A GLN 31.A NE2 ARG 27.A O no hydrogen 3.663 N/A SER 32.A N CYS 28.A O no hydrogen 2.902 N/A SER 32.A OG CYS 28.A O no hydrogen 3.021 N/A SER 32.A OG LEU 29.A O no hydrogen 3.115 N/A GLY 33.A N THR 30.A O no hydrogen 2.988 N/A GLY 36.A N GLY 33.A O no hydrogen 2.852 N/A TYR 38.A N ALA 35.A O no hydrogen 3.154 N/A TYR 38.A OH ASP 84.A OD2 no hydrogen 2.878 N/A LYS 39.A NZ PRO 40.A O no hydrogen 2.855 N/A THR 45.A N ASN 42.A OD1 no hydrogen 2.876 N/A THR 45.A OG1 ASN 42.A OD1 no hydrogen 2.787 N/A CYS 46.A N ASN 42.A O no hydrogen 3.051 N/A CYS 46.A SG ASN 42.A O no hydrogen 3.457 N/A ARG 47.A N LEU 43.A O no hydrogen 2.874 N/A LEU 48.A N GLU 44.A O no hydrogen 3.152 N/A MET 49.A N THR 45.A O no hydrogen 3.077 N/A VAL 50.A N CYS 46.A O no hydrogen 2.907 N/A SER 51.A N ARG 47.A O no hydrogen 3.172 N/A SER 51.A OG.A ARG 47.A O no hydrogen 3.167 N/A SER 51.A OG.A SER 168.A O no hydrogen 2.706 N/A SER 51.A OG.B SER 168.A O no hydrogen 3.280 N/A MET 52.A N LEU 48.A O no hydrogen 2.930 N/A LEU 53.A N MET 49.A O no hydrogen 3.124 N/A ASP 54.A N VAL 50.A O no hydrogen 2.826 N/A ARG 55.A N SER 51.A O no hydrogen 3.066 N/A ASP 56.A N ASP 54.A OD1 no hydrogen 3.219 N/A SER 58.A N ASP 56.A OD1 no hydrogen 3.205 N/A SER 58.A OG ASP 54.A OD2 no hydrogen 3.263 N/A SER 58.A OG ASP 56.A OD1 no hydrogen 3.027 N/A SER 58.A OG THR 60.A O no hydrogen 3.268 N/A SER 58.A OG THR 60.A OG1 no hydrogen 3.418 N/A THR 60.A N SER 58.A OG no hydrogen 3.304 N/A THR 60.A OG1 GLN 19.A OE1 no hydrogen 2.756 N/A THR 60.A OG1 SER 58.A OG no hydrogen 3.418 N/A MET 61.A N ILE 20.A O no hydrogen 2.853 N/A GLY 62.A N GLU 65.A OE1 no hydrogen 3.430 N/A PHE 66.A N GLY 62.A O no hydrogen 2.948 N/A LYS 67.A N PHE 63.A O no hydrogen 2.877 N/A LYS 67.A NZ ASN 64.A OD1 no hydrogen 2.990 N/A GLU 68.A N ASN 64.A O no hydrogen 3.033 N/A LEU 69.A N GLU 65.A O no hydrogen 2.829 N/A TRP 70.A N PHE 66.A O no hydrogen 2.803 N/A TRP 70.A NE1 SER 32.A OG no hydrogen 2.840 N/A ALA 71.A N LYS 67.A O no hydrogen 3.116 N/A VAL 72.A N GLU 68.A O no hydrogen 3.068 N/A LEU 73.A N LEU 69.A O no hydrogen 2.930 N/A ASN 74.A N TRP 70.A O no hydrogen 2.966 N/A GLY 75.A N ALA 71.A O no hydrogen 3.134 N/A TRP 76.A N VAL 72.A O no hydrogen 2.985 N/A ARG 77.A N LEU 73.A O no hydrogen 2.904 N/A ARG 77.A NE ALA 35.A O no hydrogen 3.187 N/A ARG 77.A NH2 GLY 36.A O no hydrogen 2.641 N/A GLN 78.A N ASN 74.A O no hydrogen 3.069 N/A HIS 79.A N GLY 75.A O no hydrogen 2.971 N/A PHE 80.A N TRP 76.A O no hydrogen 2.859 N/A ILE 81.A N ARG 77.A O no hydrogen 2.901 N/A SER 82.A N GLN 78.A O no hydrogen 3.216 N/A SER 82.A OG HIS 79.A O no hydrogen 2.675 N/A PHE 83.A N PHE 80.A O no hydrogen 2.863 N/A ASP 84.A N PHE 80.A O no hydrogen 2.834 N/A ARG 87.A N ASP 84.A O no hydrogen 3.112 N/A ARG 87.A NH2 GLY 36.A O no hydrogen 2.927 N/A SER 88.A N ASP 84.A OD1 no hydrogen 2.770 N/A SER 88.A OG ASP 84.A OD1 no hydrogen 2.903 N/A SER 88.A OG THR 90.A O no hydrogen 3.263 N/A SER 88.A OG THR 90.A OG1 no hydrogen 3.346 N/A GLY 89.A N ASP 84.A OD2 no hydrogen 2.809 N/A THR 90.A N SER 88.A OG no hydrogen 3.343 N/A THR 90.A OG1 SER 88.A OG no hydrogen 3.346 N/A ASP 92.A N GLU 95.A OE1 no hydrogen 2.781 N/A GLU 95.A N ASP 92.A OD1 no hydrogen 2.905 N/A LEU 96.A N ASP 92.A O no hydrogen 2.841 N/A GLN 97.A N.A PRO 93.A O no hydrogen 3.060 N/A GLN 97.A N.B PRO 93.A O no hydrogen 3.084 N/A GLN 97.A NE2.A THR 101.A OG1 no hydrogen 3.343 N/A GLN 97.A NE2.B GLN 94.A O no hydrogen 2.656 N/A LYS 98.A N GLN 94.A O no hydrogen 3.226 N/A ALA 99.A N GLU 95.A O no hydrogen 2.771 N/A LEU 100.A N LEU 96.A O no hydrogen 2.813 N/A THR 101.A N GLN 97.A O.A no hydrogen 2.982 N/A THR 101.A N GLN 97.A O.B no hydrogen 3.084 N/A THR 101.A OG1 GLN 97.A O.A no hydrogen 2.627 N/A THR 101.A OG1 GLN 97.A O.B no hydrogen 2.431 N/A THR 102.A N LYS 98.A O no hydrogen 3.062 N/A THR 102.A OG1 LYS 98.A O no hydrogen 2.755 N/A THR 102.A OG1 ALA 99.A O no hydrogen 3.273 N/A MET 103.A N ALA 99.A O no hydrogen 3.283 N/A MET 103.A N LEU 100.A O no hydrogen 3.268 N/A GLY 104.A N THR 101.A O no hydrogen 3.291 N/A PHE 105.A N LEU 100.A O no hydrogen 3.252 N/A ALA 111.A N SER 108.A OG no hydrogen 3.129 N/A VAL 112.A N SER 108.A O no hydrogen 3.106 N/A ASN 113.A N PRO 109.A O no hydrogen 2.972 N/A SER 114.A N GLN 110.A O no hydrogen 2.899 N/A ILE 115.A N ALA 111.A O no hydrogen 3.105 N/A ALA 116.A N VAL 112.A O no hydrogen 2.787 N/A LYS 117.A N ASN 113.A O no hydrogen 3.072 N/A ARG 118.A N SER 114.A O no hydrogen 3.096 N/A ARG 118.A NH1 ARG 118.A O no hydrogen 2.924 N/A TYR 119.A N ILE 115.A O no hydrogen 3.162 N/A TYR 119.A N ALA 116.A O no hydrogen 3.191 N/A SER 120.A N ALA 116.A O no hydrogen 2.856 N/A SER 120.A OG ALA 116.A O no hydrogen 3.077 N/A THR 121.A N LYS 124.A O no hydrogen 2.876 N/A LYS 124.A N THR 121.A O no hydrogen 3.058 N/A ILE 125.A N VAL 91.A O no hydrogen 2.871 N/A PHE 127.A N GLY 89.A O no hydrogen 2.996 N/A ASP 129.A N THR 126.A OG1 no hydrogen 3.192 N/A TYR 130.A N THR 126.A O no hydrogen 2.855 N/A TYR 130.A OH TRP 76.A O no hydrogen 3.137 N/A ILE 131.A N PHE 127.A O no hydrogen 2.935 N/A ALA 132.A N ASP 128.A O no hydrogen 3.049 N/A CYS 133.A N ASP 129.A O no hydrogen 2.785 N/A CYS 134.A N TYR 130.A O no hydrogen 2.929 N/A CYS 134.A SG TYR 130.A O no hydrogen 3.464 N/A VAL 135.A N ILE 131.A O no hydrogen 2.800 N/A LYS 136.A N ALA 132.A O no hydrogen 3.044 N/A LEU 137.A N CYS 133.A O no hydrogen 2.877 N/A ARG 138.A N.A CYS 134.A O no hydrogen 2.933 N/A ARG 138.A N.B CYS 134.A O no hydrogen 2.915 N/A ALA 139.A N VAL 135.A O no hydrogen 2.912 N/A LEU 140.A N LYS 136.A O no hydrogen 2.875 N/A THR 141.A N LEU 137.A O no hydrogen 2.917 N/A THR 141.A OG1 LEU 137.A O no hydrogen 2.645 N/A ASP 142.A N ARG 138.A O.A no hydrogen 2.808 N/A ASP 142.A N ARG 138.A O.B no hydrogen 2.811 N/A SER 143.A N ALA 139.A O no hydrogen 2.916 N/A SER 143.A OG ALA 139.A O no hydrogen 3.100 N/A PHE 144.A N LEU 140.A O no hydrogen 2.910 N/A ARG 145.A N THR 141.A O no hydrogen 2.919 N/A ARG 146.A N ASP 142.A O no hydrogen 2.918 N/A ARG 147.A N SER 143.A O no hydrogen 3.327 N/A ARG 147.A N PHE 144.A O no hydrogen 2.987 N/A ARG 147.A NE ASP 161.A OD2 no hydrogen 2.823 N/A ARG 147.A NH1 SER 143.A O no hydrogen 3.008 N/A ARG 147.A NH2 ASP 161.A OD1 no hydrogen 2.798 N/A ASP 148.A N ARG 145.A O no hydrogen 3.043 N/A THR 149.A N ARG 147.A O no hydrogen 2.912 N/A GLN 151.A N ASP 148.A O no hydrogen 2.992 N/A GLN 152.A N ASP 148.A OD1 no hydrogen 2.976 N/A GLY 153.A N ASP 148.A OD2 no hydrogen 2.862 N/A PHE 162.A N PRO 158.A O no hydrogen 2.868 N/A ILE 163.A N TYR 159.A O no hydrogen 2.896 N/A GLN 164.A N ASP 160.A O no hydrogen 2.882 N/A CYS 165.A N ASP 161.A O no hydrogen 2.924 N/A VAL 166.A N PHE 162.A O no hydrogen 2.845 N/A MET 167.A N ILE 163.A O no hydrogen 2.801 N/A SER 168.A N CYS 165.A O no hydrogen 3.403 N/A SER 168.A OG.A GLN 164.A O no hydrogen 2.846 N/A SER 168.A OG.B CYS 165.A O no hydrogen 2.574 N/A VAL 169.A N VAL 166.A O no hydrogen 3.346 N/A