Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N GLY 1.A O no hydrogen 3.201 N/A ALA 5.A N LEU 2.A O no hydrogen 3.065 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.728 N/A TRP 8.A N ALA 5.A O no hydrogen 3.056 N/A LEU 11.A N GLU 7.A O no hydrogen 3.081 N/A ARG 12.A N TRP 8.A O no hydrogen 2.698 N/A ALA 13.A N PRO 9.A O no hydrogen 2.983 N/A GLY 18.A N GLU 16.A OE2 no hydrogen 3.050 N/A GLY 19.A N GLY 40.A O no hydrogen 2.784 N/A LEU 20.A N VAL 17.A O no hydrogen 3.070 N/A ARG 21.A N ASP 83.A OD2 no hydrogen 2.886 N/A ARG 21.A NE ASP 83.A OD2 no hydrogen 3.161 N/A ARG 21.A NH1 ASP 80.A O no hydrogen 3.364 N/A ARG 21.A NH2 ASP 83.A OD1 no hydrogen 3.131 N/A ARG 21.A NH2 SER 109.A OG no hydrogen 2.904 N/A ILE 22.A N TYR 43.A O no hydrogen 2.788 N/A VAL 23.A N LEU 84.A O no hydrogen 3.031 N/A ASP 24.A N LEU 45.A O no hydrogen 2.806 N/A LEU 25.A N TYR 86.A O no hydrogen 2.808 N/A GLY 26.A N LEU 47.A O no hydrogen 2.775 N/A CYS 27.A N LEU 47.A O no hydrogen 2.853 N/A CYS 27.A SG GLY 28.A O no hydrogen 3.714 N/A GLY 28.A N ASP 48.A OD1 no hydrogen 2.855 N/A GLY 30.A N CYS 27.A O no hydrogen 2.856 N/A CYS 33.A SG ASP 24.A OD2 no hydrogen 3.485 N/A ARG 34.A N GLY 30.A O no hydrogen 2.979 N/A ARG 34.A NH1 PHE 29.A O no hydrogen 2.873 N/A ARG 34.A NH2 PHE 29.A O no hydrogen 3.305 N/A TRP 35.A N TRP 31.A O no hydrogen 3.072 N/A ALA 36.A N PHE 32.A O no hydrogen 2.802 N/A HIS 37.A N CYS 33.A O no hydrogen 3.021 N/A GLU 38.A N ARG 34.A O no hydrogen 2.852 N/A HIS 39.A N TRP 35.A O no hydrogen 2.990 N/A HIS 39.A ND1 TRP 35.A O no hydrogen 2.831 N/A GLY 40.A N HIS 37.A O no hydrogen 3.018 N/A ALA 41.A N ALA 36.A O no hydrogen 3.001 N/A SER 42.A N LEU 20.A O no hydrogen 2.873 N/A SER 42.A OG GLY 19.A O no hydrogen 3.091 N/A SER 42.A OG LEU 20.A O no hydrogen 3.098 N/A TYR 43.A N LEU 20.A O no hydrogen 3.330 N/A VAL 44.A N GLY 64.A O no hydrogen 2.873 N/A LEU 45.A N ILE 22.A O no hydrogen 2.825 N/A GLY 46.A N THR 66.A O no hydrogen 2.811 N/A LEU 47.A N ASP 24.A O no hydrogen 2.926 N/A ASP 48.A N GLU 68.A O no hydrogen 3.475 N/A SER 50.A N ASP 48.A OD2 no hydrogen 3.097 N/A ALA 54.A N GLU 51.A O no hydrogen 2.888 N/A ARG 55.A N LYS 52.A O no hydrogen 3.270 N/A ARG 57.A N LEU 53.A O no hydrogen 2.916 N/A ARG 57.A NH1 GLU 51.A OE2 no hydrogen 3.309 N/A ARG 57.A NH2 TYR 67.A O no hydrogen 3.096 N/A ALA 58.A N ALA 54.A O no hydrogen 3.177 N/A ALA 59.A N ARG 55.A O no hydrogen 3.146 N/A ALA 59.A N ALA 56.A O no hydrogen 3.236 N/A GLY 60.A N ARG 57.A O no hydrogen 3.049 N/A THR 66.A N VAL 44.A O no hydrogen 2.837 N/A GLU 68.A N GLY 46.A O no hydrogen 3.007 N/A ALA 70.A N ASP 48.A O no hydrogen 2.900 N/A ASP 73.A N ASP 71.A OD1 no hydrogen 3.069 N/A LYS 74.A N ASP 71.A O no hydrogen 2.937 N/A ASP 80.A N GLN 106.A O no hydrogen 2.929 N/A SER 81.A N ALA 107.A O no hydrogen 2.854 N/A SER 81.A OG GLN 79.A O no hydrogen 2.923 N/A PHE 82.A N ALA 107.A O no hydrogen 3.023 N/A ASP 83.A N ARG 21.A O no hydrogen 2.773 N/A LEU 84.A N ARG 21.A O no hydrogen 3.204 N/A ALA 85.A N HIS 113.A O no hydrogen 2.845 N/A TYR 86.A N VAL 23.A O no hydrogen 2.858 N/A SER 87.A N VAL 115.A O no hydrogen 3.121 N/A SER 87.A OG LEU 25.A O no hydrogen 2.724 N/A LEU 89.A N SER 117.A O no hydrogen 2.964 N/A LEU 89.A N SER 117.A OG no hydrogen 3.147 N/A TYR 93.A N ALA 90.A O no hydrogen 3.106 N/A VAL 94.A N LEU 91.A O no hydrogen 3.085 N/A ARG 99.A N ASP 96.A OD1 no hydrogen 3.316 N/A LEU 100.A N ASP 96.A O no hydrogen 3.429 N/A PHE 101.A N VAL 97.A O no hydrogen 2.857 N/A ARG 102.A N ALA 98.A O no hydrogen 2.947 N/A THR 103.A N ARG 99.A O no hydrogen 3.022 N/A THR 103.A OG1 ARG 99.A O no hydrogen 3.158 N/A VAL 104.A N LEU 100.A O no hydrogen 2.875 N/A HIS 105.A N PHE 101.A O no hydrogen 2.819 N/A GLN 106.A N ARG 102.A O no hydrogen 3.120 N/A GLN 106.A NE2 LEU 77.A O no hydrogen 2.905 N/A GLN 106.A NE2 THR 103.A O no hydrogen 2.906 N/A ALA 107.A N THR 103.A O no hydrogen 3.151 N/A LEU 108.A N VAL 104.A O no hydrogen 3.074 N/A LEU 108.A N HIS 105.A O no hydrogen 3.264 N/A SER 109.A N PHE 82.A O no hydrogen 2.877 N/A SER 109.A OG ASP 80.A OD1 no hydrogen 2.506 N/A GLY 111.A N ARG 215.A OXT no hydrogen 2.882 N/A GLY 112.A N SER 109.A O no hydrogen 2.852 N/A HIS 113.A N ASP 83.A O no hydrogen 3.061 N/A HIS 113.A NE2 GLU 182.A OE1 no hydrogen 2.714 N/A PHE 114.A N ALA 213.A O no hydrogen 2.875 N/A VAL 115.A N ALA 85.A O no hydrogen 2.879 N/A PHE 116.A N VAL 211.A O no hydrogen 2.915 N/A SER 117.A N SER 87.A O no hydrogen 2.941 N/A THR 118.A N LEU 209.A O no hydrogen 2.959 N/A GLU 119.A N HIS 92.A ND1 no hydrogen 3.139 N/A HIS 120.A NE2 GLU 186.A OE1 no hydrogen 2.669 N/A ILE 122.A N HIS 120.A ND1 no hydrogen 2.969 N/A ALA 126.A N ASP 143.A OD1 no hydrogen 2.988 N/A TRP 130.A NE1 GLU 202.A OE2 no hydrogen 3.153 N/A ALA 131.A N THR 139.A O no hydrogen 2.825 N/A ASP 133.A N ARG 137.A O no hydrogen 3.023 N/A GLY 136.A N ASP 133.A O no hydrogen 2.965 N/A ARG 137.A N ASP 133.A OD1 no hydrogen 2.916 N/A ARG 137.A NH1 ASP 133.A OD2 no hydrogen 3.246 N/A ARG 137.A NH1 GLU 135.A OE2 no hydrogen 3.441 N/A ARG 137.A NH2 GLU 135.A OE1 no hydrogen 3.371 N/A THR 139.A N ALA 131.A O no hydrogen 2.781 N/A THR 139.A OG1 ALA 131.A O no hydrogen 3.273 N/A TRP 140.A NE1 ILE 122.A O no hydrogen 2.970 N/A VAL 147.A N ARG 144.A O no hydrogen 3.039 N/A GLY 149.A N HIS 164.A O no hydrogen 3.108 N/A ARG 151.A N LYS 162.A O no hydrogen 2.762 N/A ARG 151.A NE ALA 124.A O no hydrogen 3.022 N/A ARG 151.A NH1 VAL 147.A O no hydrogen 3.124 N/A ARG 151.A NH2 ALA 124.A O no hydrogen 3.146 N/A ARG 151.A NH2 VAL 147.A O no hydrogen 3.046 N/A TRP 155.A N LYS 152.A O no hydrogen 3.006 N/A LYS 158.A N ASP 154.A O no hydrogen 2.886 N/A GLY 159.A N TRP 155.A O no hydrogen 2.806 N/A LYS 162.A N ARG 151.A O no hydrogen 3.173 N/A LYS 162.A NZ GLU 119.A OE1 no hydrogen 2.623 N/A LYS 162.A NZ ASP 154.A OD2 no hydrogen 2.789 N/A HIS 163.A N HIS 92.A O no hydrogen 2.770 N/A HIS 164.A N GLY 149.A O no hydrogen 2.912 N/A HIS 164.A NE2 TYR 145.A O no hydrogen 2.699 N/A ARG 165.A NH1 VAL 94.A O no hydrogen 3.053 N/A ARG 165.A NH2 VAL 94.A O no hydrogen 2.992 N/A THR 166.A N GLU 148.A OE2 no hydrogen 2.833 N/A THR 166.A OG1 GLU 148.A OE2 no hydrogen 3.268 N/A THR 166.A OG1 THR 169.A OG1 no hydrogen 3.047 N/A THR 169.A N THR 166.A OG1 no hydrogen 3.150 N/A THR 169.A OG1 GLU 148.A OE1 no hydrogen 3.355 N/A THR 169.A OG1 GLU 148.A OE2 no hydrogen 2.554 N/A THR 169.A OG1 THR 166.A OG1 no hydrogen 3.047 N/A THR 170.A N THR 166.A O no hydrogen 3.099 N/A THR 170.A OG1 THR 166.A O no hydrogen 3.347 N/A LEU 171.A N VAL 167.A O no hydrogen 2.953 N/A ASN 172.A N GLY 168.A O no hydrogen 2.780 N/A ALA 173.A N THR 169.A O no hydrogen 3.007 N/A LEU 174.A N THR 170.A O no hydrogen 3.108 N/A ILE 175.A N LEU 171.A O no hydrogen 2.961 N/A ARG 176.A N ASN 172.A O no hydrogen 2.850 N/A SER 177.A N ALA 173.A O no hydrogen 2.999 N/A SER 177.A OG ALA 173.A O no hydrogen 2.759 N/A GLY 178.A N ILE 175.A O no hydrogen 3.015 N/A PHE 179.A N LEU 174.A O no hydrogen 3.038 N/A ALA 180.A N ARG 214.A O no hydrogen 2.765 N/A GLU 182.A N SER 212.A O no hydrogen 2.875 N/A HIS 183.A N SER 212.A O no hydrogen 3.159 N/A HIS 183.A NE2 GLU 185.A OE1 no hydrogen 2.751 N/A GLU 185.A N LEU 210.A O no hydrogen 2.824 N/A PHE 187.A N PHE 208.A O no hydrogen 3.121 N/A CYS 188.A SG PRO 189.A O no hydrogen 3.462 N/A THR 190.A N GLN 193.A OE1 no hydrogen 2.984 N/A GLN 193.A N THR 190.A OG1 no hydrogen 3.050 N/A GLN 193.A NE2 ALA 6.A O no hydrogen 2.932 N/A ILE 194.A N THR 190.A O no hydrogen 3.025 N/A THR 195.A N ASP 191.A O no hydrogen 2.937 N/A THR 195.A OG1 ASP 191.A O no hydrogen 3.083 N/A ALA 196.A N ALA 192.A O no hydrogen 3.154 N/A ARG 197.A N GLN 193.A O no hydrogen 2.761 N/A ARG 197.A NE GLU 199.A OE2 no hydrogen 3.296 N/A ARG 197.A NH2 GLU 199.A OE2 no hydrogen 3.476 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.671 N/A LEU 200.A N ARG 197.A O no hydrogen 2.993 N/A ALA 201.A N PRO 198.A O no hydrogen 3.078 N/A GLU 203.A N LEU 200.A O no hydrogen 2.948 N/A LEU 204.A N ALA 201.A O no hydrogen 3.163 N/A ASP 205.A N GLU 202.A O no hydrogen 3.147 N/A ARG 206.A NH1 GLU 203.A OE1 no hydrogen 2.852 N/A ARG 206.A NH1 ARG 206.A O no hydrogen 3.012 N/A LEU 209.A N THR 118.A O no hydrogen 2.830 N/A LEU 210.A N GLU 185.A O no hydrogen 2.758 N/A VAL 211.A N PHE 116.A O no hydrogen 2.924 N/A SER 212.A N HIS 183.A O no hydrogen 2.909 N/A SER 212.A OG.A GLU 182.A OE2 no hydrogen 3.566 N/A ALA 213.A N PHE 114.A O no hydrogen 2.889 N/A ARG 214.A N ALA 180.A O no hydrogen 2.855 N/A ARG 214.A NH1 GLU 182.A OE1 no hydrogen 3.239 N/A ARG 215.A N GLY 112.A O no hydrogen 2.899 N/A ARG 215.A NE HIS 105.A O no hydrogen 3.171 N/A ARG 215.A NH2 HIS 105.A O no hydrogen 3.226 N/A