Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b5e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLU 1.A OE2.B no hydrogen 2.812 N/A SER 3.A OG LEU 15.A O no hydrogen 2.723 N/A LEU 6.A N TYR 13.A O no hydrogen 2.739 N/A ALA 10.A N GLU 94.A OE1.A no hydrogen 3.427 N/A TYR 13.A N LEU 6.A O no hydrogen 3.080 N/A TYR 13.A OH HIS 99.A NE2 no hydrogen 2.622 N/A ARG 14.A N ALA 54.A O no hydrogen 2.956 N/A ARG 14.A NE GLU 36.A OE2 no hydrogen 2.819 N/A ARG 14.A NH1 GLU 1.A OE2.A no hydrogen 3.203 N/A ARG 14.A NH1 SER 3.A O no hydrogen 2.821 N/A ARG 14.A NH2 GLU 36.A OE2 no hydrogen 3.438 N/A LEU 16.A N LEU 52.A O no hydrogen 2.903 N/A LYS 20.A N GLY 17.A O no hydrogen 3.018 N/A LYS 20.A NZ PRO 48.A O no hydrogen 3.177 N/A GLU 24.A N SER 22.A OG no hydrogen 2.933 N/A CYS 25.A N.A HIS 105.A O no hydrogen 3.138 N/A CYS 25.A N.B HIS 105.A O no hydrogen 3.163 N/A CYS 25.A SG.A THR 51.A O no hydrogen 3.447 N/A LEU 26.A N THR 51.A O no hydrogen 2.805 N/A PHE 27.A N THR 107.A O no hydrogen 2.911 N/A LEU 28.A N VAL 53.A O no hydrogen 2.890 N/A LEU 29.A N LEU 109.A O.A no hydrogen 2.928 N/A LEU 29.A N LEU 109.A O.B no hydrogen 2.882 N/A HIS 30.A ND1 GLY 31.A O no hydrogen 2.707 N/A GLY 33.A N PHE 65.A O no hydrogen 2.783 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.759 N/A THR 37.A N ASP 35.A OD1 no hydrogen 2.942 N/A THR 37.A OG1 ASP 35.A OD1 no hydrogen 2.529 N/A THR 38.A N ASP 35.A O no hydrogen 3.250 N/A THR 38.A OG1 ASP 35.A O no hydrogen 2.762 N/A VAL 40.A N THR 37.A O no hydrogen 3.374 N/A ALA 43.A N LEU 39.A O no hydrogen 2.892 N/A ARG 44.A N.A VAL 40.A O no hydrogen 2.945 N/A ARG 44.A N.B VAL 40.A O no hydrogen 2.925 N/A ARG 45.A N.A PRO 41.A O no hydrogen 3.181 N/A ARG 45.A N.B PRO 41.A O no hydrogen 3.294 N/A ARG 45.A NE.B ASP 194.A OD1 no hydrogen 3.194 N/A ILE 46.A N LEU 42.A O no hydrogen 2.969 N/A ALA 47.A N ALA 43.A O no hydrogen 2.824 N/A ALA 50.A N ALA 47.A O no hydrogen 3.175 N/A THR 51.A N GLU 24.A O no hydrogen 3.056 N/A LEU 52.A N LEU 16.A O no hydrogen 2.803 N/A VAL 53.A N LEU 26.A O no hydrogen 2.854 N/A ALA 54.A N ARG 14.A O no hydrogen 2.869 N/A ALA 55.A N LEU 28.A O no hydrogen 3.257 N/A ARG 56.A N PRO 12.A O no hydrogen 2.783 N/A ARG 56.A NE GLU 36.A OE1 no hydrogen 2.752 N/A ARG 56.A NH2 GLU 36.A OE1 no hydrogen 3.034 N/A ARG 56.A NH2 GLU 36.A OE2 no hydrogen 3.444 N/A GLY 57.A N HIS 30.A NE2 no hydrogen 3.072 N/A ARG 58.A NE GLU 84.A OE1 no hydrogen 2.881 N/A ARG 58.A NH1 ALA 10.A O no hydrogen 3.485 N/A ARG 58.A NH2 GLU 84.A OE1 no hydrogen 3.400 N/A ARG 58.A NH2 GLU 84.A OE2 no hydrogen 3.137 N/A ILE 59.A N ARG 66.A O no hydrogen 3.257 N/A GLN 61.A N GLY 64.A O no hydrogen 2.924 N/A GLY 64.A N GLN 61.A O no hydrogen 2.838 N/A PHE 65.A N VAL 34.A O no hydrogen 2.905 N/A ARG 66.A N ILE 59.A O no hydrogen 2.754 N/A ARG 66.A NE PHE 68.A O no hydrogen 2.766 N/A ARG 66.A NH1 GLN 61.A OE1 no hydrogen 2.766 N/A ARG 66.A NH2 PHE 68.A O no hydrogen 3.103 N/A TRP 67.A N ASN 113.A OD1 no hydrogen 2.883 N/A TRP 67.A NE1 HIS 30.A O no hydrogen 2.871 N/A GLU 69.A N SER 80.A OG no hydrogen 2.870 N/A ILE 71.A N ARG 75.A O no hydrogen 2.734 N/A ASP 72.A N ARG 75.A O no hydrogen 3.213 N/A THR 74.A OG1 PRO 73.A O no hydrogen 2.540 N/A ARG 75.A N ASP 72.A O no hydrogen 2.840 N/A GLU 77.A N.A GLU 69.A O no hydrogen 3.000 N/A GLU 77.A N.B GLU 69.A O no hydrogen 3.010 N/A GLN 78.A NE2 PHE 76.A O no hydrogen 3.059 N/A GLN 78.A NE2 VAL 138.A O no hydrogen 2.908 N/A ILE 81.A N GLU 77.A O.A no hydrogen 3.045 N/A ILE 81.A N GLU 77.A O.B no hydrogen 3.101 N/A LEU 82.A N GLN 78.A O no hydrogen 2.998 N/A ALA 83.A N LYS 79.A O no hydrogen 3.033 N/A GLU 84.A N SER 80.A O no hydrogen 2.965 N/A THR 85.A N.A ILE 81.A O no hydrogen 2.948 N/A THR 85.A N.B ILE 81.A O no hydrogen 2.954 N/A THR 85.A OG1.A ILE 81.A O no hydrogen 2.600 N/A THR 85.A OG1.B ILE 81.A O no hydrogen 2.719 N/A THR 85.A OG1.B LEU 82.A O no hydrogen 2.826 N/A ALA 86.A N LEU 82.A O no hydrogen 3.028 N/A ALA 87.A N ALA 83.A O no hydrogen 2.947 N/A PHE 88.A N GLU 84.A O no hydrogen 2.816 N/A ALA 89.A N THR 85.A O.A no hydrogen 2.950 N/A ALA 89.A N THR 85.A O.B no hydrogen 2.885 N/A ALA 90.A N ALA 86.A O no hydrogen 3.194 N/A PHE 91.A N ALA 87.A O no hydrogen 2.940 N/A THR 92.A N.A PHE 88.A O no hydrogen 2.811 N/A THR 92.A N.B PHE 88.A O no hydrogen 2.807 N/A THR 92.A N.B ALA 89.A O no hydrogen 3.209 N/A THR 92.A OG1.A ALA 89.A O no hydrogen 2.706 N/A THR 92.A OG1.A ASN 93.A OD1 no hydrogen 3.532 N/A THR 92.A OG1.B PHE 88.A O no hydrogen 2.989 N/A ASN 93.A N ALA 89.A O no hydrogen 3.364 N/A GLU 94.A N.A ALA 90.A O no hydrogen 3.043 N/A GLU 94.A N.B ALA 90.A O no hydrogen 3.086 N/A ALA 95.A N PHE 91.A O no hydrogen 2.724 N/A ALA 96.A N THR 92.A O.A no hydrogen 2.830 N/A ALA 96.A N THR 92.A O.B no hydrogen 2.952 N/A LYS 97.A N ASN 93.A O no hydrogen 2.931 N/A ARG 98.A N GLU 94.A O.A no hydrogen 2.936 N/A ARG 98.A N GLU 94.A O.B no hydrogen 3.038 N/A ARG 98.A NH1 ASP 8.A OD1 no hydrogen 2.962 N/A ARG 98.A NH1 TYR 13.A OH no hydrogen 3.212 N/A ARG 98.A NH2 ASP 8.A OD2 no hydrogen 2.978 N/A HIS 99.A N ALA 95.A O no hydrogen 3.113 N/A HIS 99.A NE2 TYR 13.A OH no hydrogen 2.622 N/A LEU 101.A N ALA 96.A O no hydrogen 2.899 N/A ASP 104.A N ASN 102.A OD1 no hydrogen 3.088 N/A HIS 105.A N ASN 102.A O no hydrogen 2.836 N/A HIS 105.A ND1 GLU 24.A OE2 no hydrogen 2.829 N/A THR 107.A N CYS 25.A O.A no hydrogen 3.136 N/A THR 107.A N CYS 25.A O.B no hydrogen 2.996 N/A PHE 108.A N LEU 130.A O no hydrogen 2.891 N/A LEU 109.A N.A PHE 27.A O no hydrogen 2.787 N/A LEU 109.A N.B PHE 27.A O no hydrogen 2.800 N/A GLY 110.A N ALA 132.A O no hydrogen 3.018 N/A TYR 111.A N LEU 29.A O no hydrogen 2.978 N/A TYR 111.A OH HIS 190.A O no hydrogen 2.708 N/A SER 112.A N LEU 134.A O no hydrogen 2.807 N/A SER 112.A OG HIS 190.A NE2 no hydrogen 2.942 N/A GLY 114.A N TYR 111.A O no hydrogen 2.885 N/A ASN 116.A N SER 112.A O no hydrogen 2.954 N/A LEU 117.A N ASN 113.A O no hydrogen 3.022 N/A VAL 118.A N GLY 114.A O no hydrogen 3.121 N/A SER 119.A N ALA 115.A O no hydrogen 2.947 N/A SER 119.A OG ASN 116.A O no hydrogen 3.264 N/A SER 120.A N ASN 116.A O no hydrogen 3.171 N/A SER 120.A OG ASN 116.A O no hydrogen 2.801 N/A LEU 121.A N LEU 117.A O no hydrogen 2.872 N/A LEU 123.A N SER 120.A O no hydrogen 2.850 N/A HIS 124.A N LEU 121.A O no hydrogen 2.821 N/A ARG 129.A NE ASP 104.A OD1 no hydrogen 2.982 N/A ARG 129.A NH1 ILE 127.A O no hydrogen 2.851 N/A ARG 129.A NH2 ASP 104.A OD1 no hydrogen 2.825 N/A ALA 131.A N ARG 151.A O no hydrogen 3.049 N/A ALA 132.A N PHE 108.A O no hydrogen 2.825 N/A LEU 133.A N LEU 153.A O no hydrogen 2.756 N/A LEU 134.A N GLY 110.A O no hydrogen 2.930 N/A ARG 135.A N ILE 155.A O no hydrogen 2.859 N/A ARG 135.A NE GLY 189.A O no hydrogen 2.799 N/A ARG 135.A NH1 ILE 155.A O no hydrogen 3.046 N/A ARG 135.A NH1 ASP 196.A OD1 no hydrogen 2.782 N/A ARG 135.A NH2 ASP 191.A O no hydrogen 2.858 N/A ARG 135.A NH2 ASP 196.A OD1 no hydrogen 3.215 N/A ARG 135.A NH2 ASP 196.A OD2 no hydrogen 3.204 N/A ASP 140.A N GLN 78.A OE1 no hydrogen 2.804 N/A THR 145.A OG1 LEU 122.A O no hydrogen 2.473 N/A LEU 147.A N HIS 177.A O no hydrogen 2.745 N/A ALA 148.A N ASP 146.A OD1 no hydrogen 2.847 N/A ILE 150.A N LEU 147.A O no hydrogen 2.904 N/A ARG 151.A N ARG 129.A O no hydrogen 3.278 N/A ARG 151.A NH2 TRP 203.A O no hydrogen 3.045 N/A THR 152.A N.A GLU 180.A O no hydrogen 2.941 N/A THR 152.A N.B GLU 180.A O no hydrogen 2.962 N/A LEU 153.A N ALA 131.A O no hydrogen 2.820 N/A ILE 154.A N ASP 182.A O no hydrogen 2.952 N/A ILE 155.A N LEU 133.A O no hydrogen 2.986 N/A ALA 156.A N ARG 184.A O no hydrogen 2.851 N/A ALA 158.A N ILE 186.A O no hydrogen 2.751 N/A ALA 159.A N SER 188.A O no hydrogen 2.980 N/A ASP 160.A N GLY 157.A O no hydrogen 2.999 N/A TYR 163.A N ASP 160.A OD1 no hydrogen 3.227 N/A GLY 164.A N ASP 160.A O no hydrogen 2.918 N/A PHE 166.A N TYR 163.A O no hydrogen 3.218 N/A VAL 167.A N GLY 164.A O no hydrogen 3.220 N/A LEU 170.A N PHE 166.A O no hydrogen 3.438 N/A VAL 171.A N VAL 167.A O no hydrogen 3.010 N/A THR 172.A N PRO 168.A O no hydrogen 2.961 N/A THR 172.A OG1 PRO 168.A O no hydrogen 3.317 N/A LEU 173.A N ALA 169.A O no hydrogen 2.908 N/A LEU 174.A N LEU 170.A O no hydrogen 2.967 N/A SER 175.A N.A VAL 171.A O no hydrogen 3.006 N/A SER 175.A N.B VAL 171.A O no hydrogen 3.025 N/A SER 175.A OG.B VAL 171.A O no hydrogen 3.022 N/A ARG 176.A N THR 172.A O no hydrogen 2.816 N/A HIS 177.A N LEU 173.A O no hydrogen 3.172 N/A HIS 177.A N LEU 174.A O no hydrogen 3.212 N/A HIS 177.A ND1 THR 145.A O no hydrogen 2.779 N/A GLY 178.A N SER 175.A O.A no hydrogen 2.844 N/A GLY 178.A N SER 175.A O.B no hydrogen 3.027 N/A ALA 179.A N LEU 174.A O no hydrogen 3.021 N/A GLU 180.A N ILE 150.A O no hydrogen 2.764 N/A ASP 182.A N THR 152.A O.A no hydrogen 2.807 N/A ASP 182.A N THR 152.A O.B no hydrogen 2.949 N/A ARG 184.A N ILE 154.A O no hydrogen 2.830 N/A ARG 184.A NE ASP 182.A OD1 no hydrogen 2.780 N/A ARG 184.A NH2 ASP 182.A OD2 no hydrogen 3.043 N/A ILE 186.A N ALA 156.A O no hydrogen 3.006 N/A HIS 190.A ND1 ASP 160.A OD2 no hydrogen 2.684 N/A HIS 190.A NE2 SER 112.A OG no hydrogen 2.942 N/A GLY 193.A N ASP 196.A OD2 no hydrogen 2.919 N/A ALA 197.A N GLY 193.A O no hydrogen 3.248 N/A ALA 198.A N ASP 194.A O no hydrogen 2.936 N/A ILE 199.A N PRO 195.A O no hydrogen 3.244 N/A VAL 200.A N ASP 196.A O no hydrogen 2.933 N/A ARG 201.A N ALA 197.A O no hydrogen 3.004 N/A ARG 201.A NH1 ILE 46.A O no hydrogen 3.102 N/A GLN 202.A N.A ALA 198.A O no hydrogen 3.052 N/A GLN 202.A N.B ALA 198.A O no hydrogen 3.098 N/A TRP 203.A N ILE 199.A O no hydrogen 2.841 N/A LEU 204.A N VAL 200.A O no hydrogen 2.808 N/A ALA 205.A N ARG 201.A O no hydrogen 2.927 N/A GLY 206.A N GLN 202.A O.A no hydrogen 3.299 N/A GLY 206.A N GLN 202.A O.B no hydrogen 3.007 N/A GLY 206.A N TRP 203.A O no hydrogen 3.170 N/A