Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xpu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N LEU 33.A O no hydrogen 3.030 N/A SER 7.A N ASN 4.A O no hydrogen 3.096 N/A SER 7.A N ASN 4.A OD1 no hydrogen 2.943 N/A SER 7.A OG ASN 4.A OD1 no hydrogen 2.332 N/A VAL 8.A N ASN 4.A O no hydrogen 2.968 N/A ILE 9.A N ARG 5.A O no hydrogen 3.037 N/A ASP 10.A N.A GLU 6.A O no hydrogen 2.897 N/A ASP 10.A N.B GLU 6.A O no hydrogen 2.882 N/A ALA 11.A N SER 7.A O no hydrogen 2.952 N/A ALA 12.A N VAL 8.A O no hydrogen 2.937 N/A LEU 13.A N ILE 9.A O no hydrogen 2.738 N/A GLU 14.A N ASP 10.A O.A no hydrogen 2.884 N/A GLU 14.A N ASP 10.A O.B no hydrogen 3.126 N/A LEU 15.A N ALA 11.A O no hydrogen 2.872 N/A LEU 16.A N ALA 12.A O no hydrogen 2.800 N/A ASN 17.A N LEU 13.A O no hydrogen 2.956 N/A GLU 18.A N GLU 14.A O no hydrogen 2.954 N/A THR 19.A N LEU 15.A O no hydrogen 2.886 N/A THR 19.A OG1 LEU 15.A O no hydrogen 2.576 N/A GLY 20.A N LEU 16.A O no hydrogen 2.590 N/A ILE 21.A N ASP 94.A OD2 no hydrogen 2.812 N/A THR 25.A N GLY 23.A O no hydrogen 2.761 N/A LYS 28.A N THR 25.A OG1 no hydrogen 2.955 N/A LEU 29.A N THR 25.A O no hydrogen 2.895 N/A ALA 30.A N THR 26.A O no hydrogen 2.995 N/A GLN 31.A N ARG 27.A O.A no hydrogen 3.359 N/A GLN 31.A N ARG 27.A O.B no hydrogen 3.366 N/A LYS 32.A N LYS 28.A O no hydrogen 3.203 N/A LYS 32.A NZ GLU 14.A OE2 no hydrogen 2.551 N/A LYS 32.A NZ GLU 18.A OE1.A no hydrogen 3.005 N/A LYS 32.A NZ GLU 18.A OE1.B no hydrogen 3.231 N/A LYS 32.A NZ GLU 18.A OE2.A no hydrogen 3.183 N/A LEU 33.A N LEU 29.A O no hydrogen 3.119 N/A GLY 34.A N GLN 31.A O no hydrogen 3.009 N/A ILE 35.A N ALA 30.A O no hydrogen 3.033 N/A LEU 40.A N GLU 36.A O no hydrogen 3.194 N/A TYR 41.A N GLN 37.A O no hydrogen 2.929 N/A TRP 42.A N PRO 38.A O no hydrogen 3.298 N/A HIS 43.A N LEU 40.A O no hydrogen 2.867 N/A VAL 44.A N LEU 40.A O no hydrogen 2.817 N/A LYS 45.A NZ TYR 41.A O no hydrogen 2.818 N/A LYS 47.A NZ ILE 21.A O no hydrogen 2.706 N/A LYS 47.A NZ LEU 24.A O no hydrogen 3.295 N/A ARG 48.A NE.A ARG 48.A O.A no hydrogen 3.248 N/A ARG 48.A NE.A ASP 52.A OD1 no hydrogen 2.773 N/A ARG 48.A NH2.A ASP 52.A OD1 no hydrogen 2.852 N/A ALA 49.A N ASN 46.A OD1 no hydrogen 2.930 N/A LEU 51.A N LYS 47.A O no hydrogen 2.881 N/A ASP 52.A N ARG 48.A O.A no hydrogen 2.913 N/A ASP 52.A N ARG 48.A O.B no hydrogen 3.157 N/A ALA 53.A N ALA 49.A O no hydrogen 3.172 N/A LEU 54.A N LEU 50.A O no hydrogen 2.847 N/A ALA 55.A N LEU 51.A O no hydrogen 2.903 N/A VAL 56.A N ASP 52.A O no hydrogen 3.363 N/A GLU 57.A N ALA 53.A O no hydrogen 3.058 N/A ILE 58.A N LEU 54.A O no hydrogen 2.881 N/A LEU 59.A N ALA 55.A O no hydrogen 3.397 N/A ALA 60.A N VAL 56.A O no hydrogen 2.942 N/A ARG 61.A N GLU 57.A O no hydrogen 2.926 N/A ARG 61.A NE GLU 57.A OE1 no hydrogen 2.560 N/A ARG 61.A NH1 TYR 92.A OH no hydrogen 3.365 N/A ARG 61.A NH2 ASP 10.A OD2.B no hydrogen 2.752 N/A ARG 61.A NH2 GLU 57.A OE1 no hydrogen 3.413 N/A HIS 62.A N ILE 58.A O no hydrogen 3.143 N/A HIS 62.A NE2 TYR 92.A OH no hydrogen 2.431 N/A HIS 63.A N LEU 59.A O no hydrogen 2.914 N/A HIS 63.A ND1 SER 84.A OG no hydrogen 2.734 N/A TYR 65.A N SER 84.A OG no hydrogen 2.959 N/A TYR 65.A OH GLU 72.A OE1 no hydrogen 2.649 N/A TYR 65.A OH GLU 72.A OE2 no hydrogen 2.978 N/A ALA 69.A N GLU 72.A OE1 no hydrogen 2.877 N/A GLU 72.A N ALA 69.A O no hydrogen 3.089 N/A GLN 75.A N GLN 75.A OE1 no hydrogen 2.865 N/A GLN 75.A NE2 GLU 192.A OE1 no hydrogen 3.203 N/A SER 76.A N SER 73.A OG no hydrogen 3.022 N/A SER 76.A OG GLU 72.A OE2 no hydrogen 2.703 N/A PHE 77.A N SER 73.A O no hydrogen 2.948 N/A LEU 78.A N TRP 74.A O no hydrogen 2.895 N/A ARG 79.A N GLN 75.A O no hydrogen 3.052 N/A ARG 79.A NE GLU 185.A OE2 no hydrogen 2.796 N/A ARG 79.A NH2 GLU 185.A OE1 no hydrogen 2.932 N/A ARG 79.A NH2 GLU 185.A OE2 no hydrogen 3.545 N/A ASN 80.A N SER 76.A O no hydrogen 2.881 N/A ASN 80.A ND2 GLU 72.A OE2 no hydrogen 3.029 N/A ASN 81.A N PHE 77.A O no hydrogen 2.701 N/A ASN 81.A ND2 TYR 65.A O no hydrogen 2.983 N/A ALA 82.A N LEU 78.A O no hydrogen 2.885 N/A MET 83.A N ARG 79.A O no hydrogen 3.072 N/A SER 84.A N ASN 80.A O no hydrogen 3.087 N/A SER 84.A OG HIS 63.A ND1 no hydrogen 2.734 N/A SER 84.A OG ASP 64.A OD1 no hydrogen 3.025 N/A PHE 85.A N ASN 81.A O no hydrogen 2.867 N/A ARG 86.A N ALA 82.A O no hydrogen 2.906 N/A ARG 86.A NH2 ASP 175.A OD2 no hydrogen 2.885 N/A ARG 87.A N.A MET 83.A O no hydrogen 2.984 N/A ARG 87.A N.B MET 83.A O no hydrogen 3.023 N/A ARG 87.A N.C MET 83.A O no hydrogen 2.982 N/A ARG 87.A NH2.A ASP 64.A OD1 no hydrogen 2.656 N/A ALA 88.A N SER 84.A O no hydrogen 2.981 N/A LEU 89.A N PHE 85.A O no hydrogen 3.014 N/A LEU 90.A N ARG 86.A O no hydrogen 3.064 N/A LEU 90.A N ARG 87.A O.A no hydrogen 3.038 N/A LEU 90.A N ARG 87.A O.C no hydrogen 3.290 N/A ARG 91.A N.A ALA 88.A O no hydrogen 3.321 N/A ARG 91.A N.B ARG 87.A O.A no hydrogen 3.105 N/A ARG 91.A N.B ARG 87.A O.C no hydrogen 3.201 N/A ARG 91.A N.B ALA 88.A O no hydrogen 3.366 N/A ARG 91.A NE.A HIS 62.A ND1 no hydrogen 3.015 N/A TYR 92.A OH HIS 62.A NE2 no hydrogen 2.431 N/A ARG 93.A N ASN 17.A OD1 no hydrogen 3.000 N/A GLY 95.A N TYR 92.A O no hydrogen 2.960 N/A ALA 96.A N GLN 148.A OE1 no hydrogen 3.511 N/A LYS 97.A NZ GLU 149.A OE1.A no hydrogen 3.196 N/A LYS 97.A NZ GLU 149.A OE2.A no hydrogen 2.791 N/A VAL 98.A N ASP 94.A O no hydrogen 2.951 N/A HIS 99.A N GLY 95.A O no hydrogen 3.080 N/A HIS 99.A N ALA 96.A O no hydrogen 2.930 N/A LEU 100.A N ALA 96.A O no hydrogen 3.116 N/A THR 102.A N HIS 99.A O no hydrogen 3.133 N/A THR 102.A OG1 HIS 99.A O no hydrogen 2.478 N/A ASP 105.A N GLN 108.A OE1 no hydrogen 2.961 N/A LYS 107.A N ASP 105.A OD2 no hydrogen 2.918 N/A GLN 108.A N ASP 105.A O no hydrogen 2.716 N/A TYR 109.A N GLU 106.A O.A no hydrogen 3.239 N/A TYR 109.A N GLU 106.A O.B no hydrogen 3.145 N/A VAL 112.A N GLN 108.A O no hydrogen 3.060 N/A GLU 113.A N TYR 109.A O no hydrogen 2.872 N/A THR 114.A N ASP 110.A O no hydrogen 3.074 N/A THR 114.A OG1 ASP 110.A O no hydrogen 2.955 N/A GLN 115.A N THR 111.A O no hydrogen 2.952 N/A GLN 115.A NE2 SER 66.A O.A no hydrogen 2.770 N/A GLN 115.A NE2 SER 66.A O.B no hydrogen 2.684 N/A LEU 116.A N VAL 112.A O no hydrogen 2.991 N/A ARG 117.A N GLU 113.A O no hydrogen 2.789 N/A PHE 118.A N THR 114.A O no hydrogen 2.755 N/A MET 119.A N GLN 115.A O no hydrogen 3.100 N/A THR 120.A N LEU 116.A O no hydrogen 3.213 N/A THR 120.A OG1 ARG 117.A O no hydrogen 2.766 N/A GLU 121.A N ARG 117.A O no hydrogen 2.877 N/A ASN 122.A N MET 119.A O no hydrogen 2.871 N/A ASN 122.A ND2 PHE 118.A O no hydrogen 2.906 N/A GLY 123.A N THR 120.A O no hydrogen 3.157 N/A PHE 124.A N MET 119.A O no hydrogen 3.341 N/A ARG 127.A NH1 TYR 131.A OH no hydrogen 3.036 N/A ASP 128.A N SER 125.A OG no hydrogen 3.166 N/A GLY 129.A N SER 125.A O no hydrogen 2.822 N/A LEU 130.A N LEU 126.A O no hydrogen 2.844 N/A TYR 131.A N ARG 127.A O no hydrogen 2.904 N/A ALA 132.A N ASP 128.A O no hydrogen 3.060 N/A ILE 133.A N GLY 129.A O no hydrogen 2.952 N/A SER 134.A N.A LEU 130.A O no hydrogen 2.736 N/A SER 134.A N.B LEU 130.A O no hydrogen 2.755 N/A SER 134.A OG.A LEU 130.A O no hydrogen 2.919 N/A SER 134.A OG.B LEU 130.A O no hydrogen 2.958 N/A SER 134.A OG.B TYR 131.A O no hydrogen 2.904 N/A ALA 135.A N TYR 131.A O no hydrogen 2.997 N/A VAL 136.A N ALA 132.A O no hydrogen 3.007 N/A SER 137.A N ILE 133.A O no hydrogen 2.853 N/A SER 137.A OG ILE 133.A O no hydrogen 3.041 N/A HIS 138.A N SER 134.A O.A no hydrogen 2.743 N/A HIS 138.A N SER 134.A O.B no hydrogen 2.802 N/A PHE 139.A N ALA 135.A O no hydrogen 2.877 N/A THR 140.A N VAL 136.A O no hydrogen 2.943 N/A THR 140.A OG1 VAL 136.A O no hydrogen 2.813 N/A LEU 141.A N SER 137.A O no hydrogen 2.863 N/A GLY 142.A N HIS 138.A O no hydrogen 2.959 N/A ALA 143.A N PHE 139.A O no hydrogen 2.948 N/A VAL 144.A N THR 140.A O no hydrogen 3.021 N/A LEU 145.A N.A LEU 141.A O no hydrogen 2.770 N/A LEU 145.A N.B LEU 141.A O no hydrogen 2.823 N/A GLU 146.A N GLY 142.A O no hydrogen 2.953 N/A GLN 147.A N ALA 143.A O no hydrogen 3.173 N/A GLN 147.A NE2 ASP 175.A OD2 no hydrogen 3.522 N/A GLN 148.A N VAL 144.A O no hydrogen 2.851 N/A GLN 148.A NE2 LEU 89.A O no hydrogen 3.088 N/A GLN 148.A NE2 TYR 92.A O no hydrogen 2.983 N/A GLU 149.A N.A LEU 145.A O.A no hydrogen 2.839 N/A GLU 149.A N.A LEU 145.A O.B no hydrogen 3.003 N/A GLU 149.A N.B LEU 145.A O.A no hydrogen 2.858 N/A GLU 149.A N.B LEU 145.A O.B no hydrogen 3.017 N/A HIS 150.A N GLU 146.A O no hydrogen 3.014 N/A THR 151.A N GLN 147.A O no hydrogen 3.132 N/A THR 151.A OG1 GLN 147.A O no hydrogen 2.769 N/A ALA 152.A N GLN 148.A O no hydrogen 3.216 N/A ALA 153.A N GLU 149.A O.A no hydrogen 3.002 N/A ALA 153.A N GLU 149.A O.B no hydrogen 3.014 N/A LEU 154.A N HIS 150.A O no hydrogen 3.031 N/A LEU 154.A N THR 151.A O no hydrogen 3.250 N/A THR 155.A N ALA 152.A O no hydrogen 2.981 N/A THR 155.A OG1 ALA 152.A O no hydrogen 2.646 N/A ARG 157.A N ALA 153.A O no hydrogen 3.088 N/A ARG 165.A N PRO 161.A O no hydrogen 2.900 N/A ARG 165.A NH2 LEU 160.A O no hydrogen 3.485 N/A GLU 166.A N PRO 162.A O no hydrogen 3.032 N/A ALA 167.A N LEU 163.A O no hydrogen 2.747 N/A LEU 168.A N LEU 164.A O no hydrogen 2.813 N/A GLN 169.A N ARG 165.A O no hydrogen 3.130 N/A ILE 170.A N GLU 166.A O no hydrogen 2.963 N/A MET 171.A N.A ALA 167.A O no hydrogen 2.951 N/A MET 171.A N.B ALA 167.A O no hydrogen 2.933 N/A ASP 172.A N LEU 168.A O no hydrogen 3.125 N/A SER 173.A N.A ILE 170.A O no hydrogen 3.162 N/A SER 173.A N.B ILE 170.A O no hydrogen 3.131 N/A SER 173.A OG.A GLN 169.A O no hydrogen 2.718 N/A SER 173.A OG.B ILE 170.A O no hydrogen 2.501 N/A GLY 176.A N ASP 174.A OD1 no hydrogen 2.774 N/A GLN 178.A N ASP 174.A OD2 no hydrogen 2.859 N/A PHE 180.A N GLY 176.A O no hydrogen 3.059 N/A LEU 181.A N GLU 177.A O no hydrogen 2.887 N/A HIS 182.A N GLN 178.A O no hydrogen 3.091 N/A GLY 183.A N ALA 179.A O no hydrogen 2.941 N/A LEU 184.A N PHE 180.A O no hydrogen 2.927 N/A GLU 185.A N LEU 181.A O no hydrogen 3.162 N/A SER 186.A N HIS 182.A O no hydrogen 3.069 N/A SER 186.A OG HIS 182.A O no hydrogen 3.330 N/A LEU 187.A N GLY 183.A O no hydrogen 2.892 N/A ILE 188.A N LEU 184.A O no hydrogen 2.988 N/A ARG 189.A N GLU 185.A O no hydrogen 2.947 N/A GLY 190.A N SER 186.A O no hydrogen 2.947 N/A PHE 191.A N LEU 187.A O no hydrogen 3.055 N/A GLU 192.A N ILE 188.A O no hydrogen 3.111 N/A VAL 193.A N ARG 189.A O no hydrogen 2.908 N/A GLN 194.A N GLY 190.A O no hydrogen 3.070 N/A LEU 195.A N PHE 191.A O no hydrogen 2.917 N/A THR 196.A N GLU 192.A O no hydrogen 3.025 N/A THR 196.A OG1 GLU 192.A O no hydrogen 3.161 N/A THR 196.A OG1 VAL 193.A O no hydrogen 3.520 N/A ALA 197.A N VAL 193.A O no hydrogen 3.104 N/A LEU 198.A N LEU 195.A O no hydrogen 3.449 N/A GLN 200.A N ALA 197.A O no hydrogen 2.854 N/A