Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gpu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 ASP 168.A OD2.A no hydrogen 2.895 N/A VAL 5.A N ASN 2.A OD1 no hydrogen 2.916 N/A SER 6.A N ASN 2.A O no hydrogen 3.076 N/A SER 6.A OG ASN 2.A O no hydrogen 3.200 N/A HIS 7.A N LYS 3.A O no hydrogen 2.797 N/A HIS 7.A NE2 HIS 52.A O no hydrogen 2.878 N/A LEU 8.A N ILE 4.A O no hydrogen 2.832 N/A LEU 9.A N VAL 5.A O no hydrogen 2.971 N/A VAL 10.A N SER 6.A O no hydrogen 3.129 N/A ALA 11.A N HIS 7.A O no hydrogen 2.994 N/A GLU 12.A N LEU 9.A O no hydrogen 3.238 N/A LYS 15.A NZ ASP 95.A OD1 no hydrogen 3.297 N/A LYS 15.A NZ ASP 95.A OD2 no hydrogen 2.961 N/A ALA 18.A N ASP 96.A OD1 no hydrogen 2.705 N/A MET 19.A N ASP 96.A OD2 no hydrogen 2.837 N/A THR 23.A N ASP 21.A OD1 no hydrogen 2.885 N/A THR 23.A OG1 ASP 21.A OD1 no hydrogen 2.714 N/A VAL 24.A N ASP 21.A O no hydrogen 3.177 N/A ILE 29.A N ASP 28.A OD1 no hydrogen 2.854 N/A LYS 30.A N SER 27.A OG no hydrogen 3.047 N/A LYS 30.A NZ ASP 21.A O no hydrogen 2.954 N/A LYS 30.A NZ VAL 24.A O no hydrogen 2.890 N/A LYS 30.A NZ ASP 26.A OD1 no hydrogen 2.953 N/A ALA 31.A N SER 27.A O no hydrogen 3.116 N/A LEU 32.A N ASP 28.A O no hydrogen 2.992 N/A THR 33.A N ILE 29.A O no hydrogen 2.868 N/A THR 33.A OG1 ILE 29.A O no hydrogen 2.797 N/A THR 34.A N LYS 30.A O no hydrogen 2.958 N/A THR 34.A OG1 LYS 30.A O no hydrogen 2.765 N/A LEU 35.A N ALA 31.A O no hydrogen 2.964 N/A CYS 36.A N LEU 32.A O no hydrogen 2.843 N/A CYS 36.A SG LEU 32.A O no hydrogen 3.274 N/A ASP 37.A N.A THR 33.A O no hydrogen 2.944 N/A ASP 37.A N.B THR 33.A O no hydrogen 2.934 N/A LEU 38.A N THR 34.A O no hydrogen 2.955 N/A ALA 39.A N LEU 35.A O no hydrogen 2.862 N/A ASP 40.A N CYS 36.A O no hydrogen 2.962 N/A ARG 41.A N ASP 37.A O.B no hydrogen 3.156 N/A ARG 41.A NE ASP 37.A O.A no hydrogen 3.131 N/A ARG 41.A NE ASP 37.A OD2.B no hydrogen 3.160 N/A ARG 41.A NH1 TYR 17.A O no hydrogen 2.855 N/A ARG 41.A NH2 TYR 17.A O no hydrogen 2.765 N/A ARG 41.A NH2 ASP 37.A OD2.B no hydrogen 3.333 N/A GLU 42.A N LEU 38.A O no hydrogen 2.916 N/A LEU 43.A N ALA 39.A O no hydrogen 2.714 N/A VAL 44.A N ASP 40.A O no hydrogen 3.266 N/A VAL 45.A N.A ARG 41.A O no hydrogen 3.465 N/A VAL 45.A N.B ARG 41.A O no hydrogen 3.428 N/A VAL 45.A N.B GLU 42.A O no hydrogen 3.098 N/A ILE 46.A N GLU 42.A O no hydrogen 2.815 N/A ILE 47.A N LEU 43.A O no hydrogen 3.004 N/A GLY 48.A N VAL 44.A O no hydrogen 3.340 N/A TRP 49.A N VAL 45.A O.A no hydrogen 2.879 N/A TRP 49.A N VAL 45.A O.B no hydrogen 2.821 N/A ALA 50.A N ILE 46.A O no hydrogen 2.881 N/A HIS 52.A N TRP 49.A O no hydrogen 2.949 N/A ILE 53.A N ALA 50.A O no hydrogen 2.983 N/A PHE 56.A N ILE 53.A O no hydrogen 2.991 N/A SER 57.A OG.B LYS 51.A O no hydrogen 3.411 N/A THR 58.A N.A GLY 55.A O no hydrogen 3.277 N/A THR 58.A N.B GLY 55.A O no hydrogen 3.416 N/A THR 58.A OG1.A GLY 55.A O no hydrogen 2.718 N/A LEU 59.A N PHE 56.A O no hydrogen 3.146 N/A SER 60.A OG GLU 150.A OE1 no hydrogen 2.709 N/A ASP 63.A N SER 60.A OG no hydrogen 2.988 N/A GLN 64.A N SER 60.A O no hydrogen 2.909 N/A GLN 64.A NE2 LEU 59.A O no hydrogen 2.928 N/A MET 65.A N.A LEU 61.A O.A no hydrogen 2.879 N/A MET 65.A N.A LEU 61.A O.B no hydrogen 2.849 N/A MET 65.A N.B LEU 61.A O.A no hydrogen 2.885 N/A MET 65.A N.B LEU 61.A O.B no hydrogen 2.855 N/A MET 65.A N.C LEU 61.A O.A no hydrogen 2.872 N/A MET 65.A N.C LEU 61.A O.B no hydrogen 2.842 N/A SER 66.A N ALA 62.A O no hydrogen 2.910 N/A SER 66.A OG ALA 62.A O no hydrogen 2.932 N/A LEU 67.A N ASP 63.A O no hydrogen 2.942 N/A LEU 68.A N GLN 64.A O no hydrogen 3.034 N/A GLN 69.A N.A MET 65.A O.A no hydrogen 2.771 N/A GLN 69.A N.A MET 65.A O.B no hydrogen 2.780 N/A GLN 69.A N.A MET 65.A O.C no hydrogen 2.750 N/A GLN 69.A N.B MET 65.A O.A no hydrogen 2.784 N/A GLN 69.A N.B MET 65.A O.B no hydrogen 2.794 N/A GLN 69.A N.B MET 65.A O.C no hydrogen 2.764 N/A GLN 69.A NE2.B MET 65.A O.A no hydrogen 3.414 N/A GLN 69.A NE2.B MET 65.A O.B no hydrogen 3.378 N/A GLN 69.A NE2.B MET 65.A O.C no hydrogen 3.501 N/A SER 70.A N SER 66.A O no hydrogen 3.040 N/A SER 70.A OG SER 66.A O no hydrogen 3.397 N/A ALA 71.A N LEU 67.A O no hydrogen 2.923 N/A ALA 71.A N LEU 68.A O no hydrogen 3.274 N/A TRP 72.A N LEU 68.A O no hydrogen 2.946 N/A ILE 75.A N ALA 71.A O no hydrogen 3.051 N/A LEU 76.A N TRP 72.A O no hydrogen 3.021 N/A ILE 77.A N MET 73.A O no hydrogen 2.896 N/A LEU 78.A N GLU 74.A O no hydrogen 2.822 N/A GLY 79.A N ILE 75.A O no hydrogen 3.120 N/A VAL 80.A N.A LEU 76.A O no hydrogen 3.148 N/A VAL 80.A N.B LEU 76.A O no hydrogen 3.114 N/A VAL 81.A N ILE 77.A O no hydrogen 2.898 N/A TYR 82.A N LEU 78.A O no hydrogen 2.923 N/A ARG 83.A N GLY 79.A O no hydrogen 2.946 N/A ARG 83.A NE VAL 92.A O no hydrogen 2.920 N/A ARG 83.A NH2 TYR 93.A O no hydrogen 2.858 N/A SER 84.A N VAL 81.A O no hydrogen 3.062 N/A SER 84.A OG VAL 80.A O.A no hydrogen 2.625 N/A SER 84.A OG VAL 80.A O.B no hydrogen 2.741 N/A LEU 85.A N TYR 82.A O no hydrogen 3.353 N/A PHE 87.A N SER 84.A O no hydrogen 3.066 N/A LEU 91.A N MET 99.A O no hydrogen 2.940 N/A VAL 92.A N SER 84.A OG no hydrogen 2.822 N/A TYR 93.A N LEU 91.A O no hydrogen 3.133 N/A TYR 93.A OH ASN 113.A OD1 no hydrogen 2.665 N/A ALA 94.A N TYR 97.A O no hydrogen 3.219 N/A TYR 97.A N ALA 94.A O no hydrogen 2.920 N/A MET 99.A N LEU 91.A O no hydrogen 2.856 N/A GLN 103.A N ASP 100.A OD1 no hydrogen 2.988 N/A GLN 103.A NE2 ILE 98.A O no hydrogen 2.899 N/A GLN 103.A NE2 ASP 100.A OD1 no hydrogen 3.212 N/A SER 104.A N ASP 100.A O no hydrogen 2.966 N/A SER 104.A OG ASP 100.A O no hydrogen 3.196 N/A LYS 105.A N GLU 101.A O no hydrogen 2.932 N/A LYS 105.A NZ GLU 101.A OE1 no hydrogen 3.497 N/A LEU 106.A N ASP 102.A O no hydrogen 3.007 N/A ALA 107.A N GLN 103.A O no hydrogen 2.957 N/A GLY 108.A N LYS 105.A O no hydrogen 3.112 N/A LEU 109.A N SER 104.A O no hydrogen 2.845 N/A ASN 113.A N LEU 109.A O no hydrogen 2.777 N/A ASN 113.A ND2 SER 104.A OG no hydrogen 2.792 N/A ASN 114.A N LEU 110.A O no hydrogen 2.837 N/A ALA 115.A N ASP 111.A O no hydrogen 3.054 N/A ILE 116.A N LEU 112.A O no hydrogen 3.003 N/A LEU 117.A N ASN 113.A O no hydrogen 2.877 N/A GLN 118.A N ASN 114.A O no hydrogen 3.064 N/A LEU 119.A N ALA 115.A O no hydrogen 3.219 N/A VAL 120.A N ILE 116.A O no hydrogen 3.073 N/A LYS 121.A N LEU 117.A O no hydrogen 2.845 N/A LYS 122.A N GLN 118.A O no hydrogen 3.210 N/A TYR 123.A N LEU 119.A O no hydrogen 3.080 N/A TYR 123.A OH THR 187.A OG1 no hydrogen 2.747 N/A LYS 124.A N VAL 120.A O no hydrogen 2.866 N/A LYS 124.A NZ PHE 87.A O no hydrogen 2.808 N/A LYS 124.A NZ GLU 88.A OE2.A no hydrogen 2.792 N/A SER 125.A N.A LYS 121.A O no hydrogen 3.195 N/A SER 125.A N.B LYS 121.A O no hydrogen 3.208 N/A SER 125.A OG.A LYS 121.A O no hydrogen 3.190 N/A SER 125.A OG.B LYS 121.A O no hydrogen 3.475 N/A SER 125.A OG.B LYS 122.A O no hydrogen 2.703 N/A MET 126.A N LYS 122.A O no hydrogen 3.044 N/A LYS 127.A N LYS 124.A O no hydrogen 3.121 N/A LEU 128.A N TYR 123.A O no hydrogen 3.045 N/A GLU 129.A N GLU 132.A OE1 no hydrogen 2.854 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.760 N/A PHE 133.A N GLU 129.A O no hydrogen 2.908 N/A VAL 134.A N LYS 130.A O no hydrogen 2.974 N/A THR 135.A N GLU 131.A O no hydrogen 3.292 N/A THR 135.A OG1 GLU 131.A O no hydrogen 2.754 N/A LEU 136.A N GLU 132.A O no hydrogen 2.848 N/A LYS 137.A N PHE 133.A O no hydrogen 2.951 N/A LYS 137.A NZ GLU 12.A OE1 no hydrogen 2.728 N/A LYS 137.A NZ GLU 12.A OE2 no hydrogen 2.991 N/A ALA 138.A N VAL 134.A O no hydrogen 3.198 N/A ILE 139.A N THR 135.A O no hydrogen 2.895 N/A ALA 140.A N LEU 136.A O no hydrogen 2.787 N/A LEU 141.A N LYS 137.A O no hydrogen 3.053 N/A ALA 142.A N ALA 138.A O no hydrogen 3.016 N/A ASN 143.A N ILE 139.A O no hydrogen 2.725 N/A SER 144.A OG LEU 67.A O no hydrogen 3.385 N/A SER 144.A OG LEU 141.A O no hydrogen 2.927 N/A HIS 148.A N SER 146.A OG no hydrogen 3.058 N/A GLU 150.A N ASP 63.A OD1 no hydrogen 2.707 N/A ASP 151.A N ASP 63.A OD2 no hydrogen 2.985 N/A ALA 154.A N ASP 151.A OD1 no hydrogen 3.014 N/A VAL 155.A N ASP 151.A O no hydrogen 3.161 N/A GLN 156.A N.A VAL 152.A O no hydrogen 2.984 N/A GLN 156.A N.B VAL 152.A O no hydrogen 2.918 N/A GLN 156.A NE2.A ASP 160.A OD1.A no hydrogen 2.688 N/A LYS 157.A N.A GLU 153.A O no hydrogen 2.908 N/A LYS 157.A N.B GLU 153.A O no hydrogen 3.036 N/A LYS 157.A NZ.B GLU 153.A O no hydrogen 2.933 N/A LEU 158.A N ALA 154.A O no hydrogen 2.997 N/A GLN 159.A N VAL 155.A O no hydrogen 2.936 N/A GLN 159.A NE2 ALA 142.A O no hydrogen 2.935 N/A ASP 160.A N.A GLN 156.A O.A no hydrogen 2.821 N/A ASP 160.A N.A GLN 156.A O.B no hydrogen 2.997 N/A ASP 160.A N.B GLN 156.A O.A no hydrogen 2.851 N/A ASP 160.A N.B GLN 156.A O.B no hydrogen 3.026 N/A VAL 161.A N LYS 157.A O.A no hydrogen 2.888 N/A VAL 161.A N LYS 157.A O.B no hydrogen 2.888 N/A LEU 162.A N LEU 158.A O no hydrogen 3.126 N/A HIS 163.A N GLN 159.A O no hydrogen 2.884 N/A GLU 164.A N ASP 160.A O.A no hydrogen 2.876 N/A GLU 164.A N ASP 160.A O.B no hydrogen 2.845 N/A ALA 165.A N VAL 161.A O no hydrogen 3.096 N/A LEU 166.A N LEU 162.A O no hydrogen 3.015 N/A GLN 167.A N HIS 163.A O no hydrogen 2.877 N/A ASP 168.A N.A GLU 164.A O no hydrogen 2.887 N/A ASP 168.A N.B GLU 164.A O no hydrogen 2.868 N/A TYR 169.A N ALA 165.A O no hydrogen 2.860 N/A TYR 169.A OH GLU 129.A OE1 no hydrogen 2.635 N/A GLU 170.A N LEU 166.A O no hydrogen 2.952 N/A ALA 171.A N GLN 167.A O no hydrogen 2.882 N/A GLY 172.A N ASP 168.A O.A no hydrogen 3.157 N/A GLY 172.A N ASP 168.A O.B no hydrogen 3.110 N/A GLN 173.A N.A TYR 169.A O no hydrogen 2.859 N/A GLN 173.A N.B TYR 169.A O no hydrogen 2.872 N/A HIS 174.A N GLU 170.A O no hydrogen 2.880 N/A HIS 174.A ND1 GLU 176.A OE2 no hydrogen 2.693 N/A HIS 174.A NE2 GLU 129.A OE2 no hydrogen 2.672 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.774 N/A ASP 177.A N HIS 174.A O no hydrogen 3.075 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 2.973 N/A ARG 180.A N ASP 177.A O no hydrogen 3.053 N/A ARG 180.A NE GLU 132.A OE2 no hydrogen 2.841 N/A ARG 180.A NH1 MET 126.A O no hydrogen 2.926 N/A ARG 180.A NH2 MET 126.A O no hydrogen 2.890 N/A ARG 180.A NH2 LYS 127.A O no hydrogen 3.201 N/A ARG 180.A NH2 GLU 132.A OE1 no hydrogen 3.013 N/A ARG 180.A NH2 GLU 132.A OE2 no hydrogen 3.234 N/A LYS 183.A N ARG 179.A O no hydrogen 3.042 N/A LYS 183.A NZ ASP 177.A OD1 no hydrogen 3.188 N/A LYS 183.A NZ ASP 177.A OD2 no hydrogen 2.684 N/A MET 184.A N ARG 180.A O no hydrogen 2.946 N/A LEU 185.A N ALA 181.A O no hydrogen 2.934 N/A MET 186.A N GLY 182.A O no hydrogen 2.841 N/A THR 187.A N MET 184.A O no hydrogen 3.055 N/A THR 187.A OG1 TYR 123.A OH no hydrogen 2.747 N/A THR 187.A OG1 MET 184.A O no hydrogen 2.656 N/A LEU 188.A N LEU 185.A O no hydrogen 3.074 N/A ARG 192.A N LEU 188.A O no hydrogen 2.912 N/A ARG 192.A NE GLU 74.A OE2 no hydrogen 2.637 N/A ARG 192.A NH1 ASP 145.A OD2 no hydrogen 2.925 N/A ARG 192.A NH2 ASN 143.A O no hydrogen 2.802 N/A ARG 192.A NH2 ASP 145.A OD2 no hydrogen 3.056 N/A GLN 193.A N PRO 189.A O no hydrogen 2.830 N/A THR 194.A N LEU 190.A O no hydrogen 2.872 N/A THR 194.A OG1 LEU 190.A O no hydrogen 2.814 N/A SER 195.A N.A LEU 191.A O no hydrogen 2.918 N/A SER 195.A N.B LEU 191.A O no hydrogen 2.945 N/A SER 195.A OG.B LEU 191.A O no hydrogen 2.674 N/A THR 196.A N ARG 192.A O no hydrogen 2.854 N/A THR 196.A OG1 ARG 192.A O no hydrogen 2.837 N/A LYS 197.A N.A GLN 193.A O no hydrogen 3.129 N/A LYS 197.A N.B GLN 193.A O no hydrogen 3.122 N/A ALA 198.A N THR 194.A O no hydrogen 2.866 N/A VAL 199.A N SER 195.A O.A no hydrogen 2.773 N/A VAL 199.A N SER 195.A O.B no hydrogen 2.983 N/A GLN 200.A N THR 196.A O no hydrogen 3.080 N/A HIS 201.A N LYS 197.A O.A no hydrogen 2.899 N/A HIS 201.A N LYS 197.A O.B no hydrogen 3.135 N/A PHE 202.A N ALA 198.A O no hydrogen 2.775 N/A TYR 203.A N VAL 199.A O no hydrogen 3.000 N/A ASN 204.A N GLN 200.A O no hydrogen 2.862 N/A ILE 205.A N HIS 201.A O no hydrogen 3.099 N/A LYS 206.A N TYR 203.A O no hydrogen 3.100 N/A LYS 206.A NZ TYR 203.A O no hydrogen 2.995 N/A LYS 206.A NZ ASN 204.A O no hydrogen 2.688 N/A LEU 207.A N PHE 202.A O no hydrogen 3.086 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.742 N/A HIS 214.A ND1 GLN 69.A OE1.B no hydrogen 3.034 N/A LEU 216.A N PRO 212.A O no hydrogen 3.463 N/A PHE 217.A N MET 213.A O no hydrogen 3.166 N/A LEU 218.A N.A HIS 214.A O no hydrogen 3.144 N/A LEU 218.A N.B HIS 214.A O no hydrogen 3.147 N/A GLU 219.A N.A LYS 215.A O no hydrogen 2.950 N/A GLU 219.A N.B LYS 215.A O no hydrogen 2.737 N/A MET 220.A N.A LEU 216.A O no hydrogen 3.258 N/A LEU 221.A N PHE 217.A O no hydrogen 2.903 N/A LEU 221.A N LEU 218.A O.A no hydrogen 2.755 N/A LEU 221.A N LEU 218.A O.B no hydrogen 3.051 N/A GLU 222.A N LEU 218.A O.A no hydrogen 2.783 N/A GLU 222.A N LEU 218.A O.B no hydrogen 2.946 N/A