Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bti_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ARG 132.A O no hydrogen 2.882 N/A ILE 1.A N ASP 184.A OD1 no hydrogen 3.457 N/A ILE 1.A N ASP 184.A OD2 no hydrogen 2.705 N/A VAL 2.A N ASP 179.A O no hydrogen 2.720 N/A GLY 4.A N GLU 178.A OE2 no hydrogen 2.738 N/A GLN 5.A N MET 145.A O no hydrogen 2.892 N/A CYS 7.A N LEU 143.A O no hydrogen 2.769 N/A LYS 8.A N GLU 11.A OE1 no hydrogen 3.153 N/A LYS 8.A NZ GLU 6.A OE2 no hydrogen 2.991 N/A GLY 10.A N ASN 103.A OD1 no hydrogen 2.578 N/A GLU 11.A N LYS 8.A O no hydrogen 3.055 N/A GLN 15.A N CYS 12.A O no hydrogen 3.119 N/A GLN 15.A NE2 ALA 16.A O no hydrogen 2.772 N/A ALA 16.A N GLY 29.A O no hydrogen 2.989 N/A LEU 17.A N ARG 53.A O no hydrogen 2.944 N/A LEU 18.A N CYS 27.A O no hydrogen 2.972 N/A ILE 19.A N LYS 51.A O no hydrogen 2.911 N/A ASN 20.A N GLU 24.A O no hydrogen 2.980 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.725 N/A ASN 23.A N ASN 20.A O no hydrogen 2.746 N/A GLU 24.A N ASN 20.A OD1 no hydrogen 2.784 N/A PHE 26.A N LEU 18.A O no hydrogen 2.984 N/A CYS 27.A SG PHE 26.A O no hydrogen 3.274 N/A GLY 28.A N SER 185.A O no hydrogen 2.731 N/A GLY 29.A N ALA 16.A O no hydrogen 3.033 N/A THR 30.A N LEU 38.A O no hydrogen 2.804 N/A ILE 31.A N TRP 14.A O no hydrogen 2.937 N/A LEU 32.A N TYR 36.A O no hydrogen 3.046 N/A TYR 36.A OH THR 234.A O no hydrogen 2.866 N/A ILE 37.A N LEU 92.A O no hydrogen 3.036 N/A LEU 38.A N THR 30.A O no hydrogen 2.786 N/A THR 39.A N ALA 90.A O no hydrogen 2.885 N/A THR 39.A OG1 GLY 28.A O no hydrogen 3.002 N/A HIS 42.A N ASP 88.A OD1 no hydrogen 3.066 N/A HIS 42.A ND1 ASP 88.A OD1 no hydrogen 3.268 N/A HIS 42.A ND1 ASP 88.A OD2 no hydrogen 2.946 N/A CYS 43.A SG SER 185.A O no hydrogen 3.667 N/A LEU 44.A N ALA 41.A O no hydrogen 3.201 N/A GLN 46.A NE2 HIS 42.A O no hydrogen 3.390 N/A LYS 51.A N ILE 19.A O no hydrogen 2.931 N/A VAL 52.A N HIS 69.A O no hydrogen 2.766 N/A ARG 53.A N LEU 17.A O no hydrogen 2.844 N/A ARG 53.A NH1 ASP 56.A OD2 no hydrogen 2.863 N/A VAL 54.A N ALA 67.A O no hydrogen 3.024 N/A ARG 57.A N GLU 63.A OE2 no hydrogen 2.936 N/A ARG 57.A NH1 CYS 7.A O no hydrogen 2.957 N/A ASN 58.A N ASP 56.A OD1 no hydrogen 3.208 N/A ASN 58.A N GLU 63.A OE2 no hydrogen 2.741 N/A THR 59.A N THR 141.A O no hydrogen 2.732 N/A THR 59.A OG1 THR 141.A O no hydrogen 3.449 N/A GLU 60.A N ASN 58.A OD1 no hydrogen 3.358 N/A GLU 66.A N GLU 63.A O no hydrogen 3.050 N/A ALA 67.A N VAL 54.A O no hydrogen 3.157 N/A HIS 69.A N VAL 52.A O no hydrogen 2.625 N/A GLU 72.A N ARG 93.A O no hydrogen 2.608 N/A VAL 73.A N ARG 93.A O no hydrogen 3.258 N/A ILE 75.A N VAL 91.A O no hydrogen 2.803 N/A LYS 76.A NZ TYR 45.A OH no hydrogen 3.180 N/A HIS 77.A N ILE 89.A O no hydrogen 3.318 N/A ARG 79.A N HIS 77.A ND1 no hydrogen 3.470 N/A PHE 80.A N HIS 77.A O no hydrogen 2.853 N/A THR 81.A N ASP 86.A O no hydrogen 3.361 N/A THR 81.A OG1 THR 84.A OG1 no hydrogen 3.053 N/A THR 84.A N THR 81.A O no hydrogen 3.382 N/A THR 84.A OG1 THR 81.A OG1 no hydrogen 3.053 N/A TYR 85.A N THR 81.A O no hydrogen 2.737 N/A ASP 86.A N THR 84.A OG1 no hydrogen 3.330 N/A ILE 89.A N PHE 87.A O no hydrogen 2.958 N/A ALA 90.A N THR 39.A O no hydrogen 2.733 N/A VAL 91.A N ILE 75.A O no hydrogen 2.958 N/A LEU 92.A N ILE 37.A O no hydrogen 2.832 N/A ARG 93.A N VAL 73.A O no hydrogen 2.880 N/A ARG 93.A NE GLU 72.A OE1 no hydrogen 3.563 N/A ARG 93.A NH1 TYR 36.A OH no hydrogen 3.458 N/A LEU 94.A N PHE 35.A O no hydrogen 2.764 N/A LYS 95.A N GLU 70.A O no hydrogen 2.952 N/A ILE 98.A N GLU 34.A O no hydrogen 2.756 N/A ARG 101.A N VAL 104.A O no hydrogen 2.925 N/A ARG 101.A NE GLY 65.A O no hydrogen 3.030 N/A ARG 101.A NH2 GLY 65.A O no hydrogen 2.587 N/A ASN 103.A ND2 ASP 9.A OD1 no hydrogen 2.606 N/A VAL 104.A N ARG 101.A O no hydrogen 3.000 N/A ALA 105.A N PRO 13.A O no hydrogen 2.917 N/A ALA 107.A N ILE 31.A O no hydrogen 2.862 N/A CYS 108.A N TYR 197.A O no hydrogen 3.313 N/A ALA 115.A N GLU 111A.A O no hydrogen 2.871 N/A GLU 116.A N ARG 112.A O no hydrogen 3.231 N/A SER 117.A N ASP 113.A O no hydrogen 2.866 N/A SER 117.A OG ASP 113.A O no hydrogen 3.114 N/A SER 117.A OG TRP 114.A O no hydrogen 2.789 N/A SER 117.A OG THR 118.A OG1 no hydrogen 3.049 N/A THR 118.A N TRP 114.A O no hydrogen 2.622 N/A THR 118.A OG1 TRP 114.A O no hydrogen 3.337 N/A THR 118.A OG1 SER 117.A OG no hydrogen 3.049 N/A THR 121.A OG1 SER 117.A O no hydrogen 2.708 N/A THR 121.A OG1 THR 118.A O no hydrogen 3.102 N/A GLN 122.A N LEU 119A.A O no hydrogen 3.078 N/A GLN 122.A NE2 THR 118.A O no hydrogen 2.946 N/A THR 124.A OG1 GLU 147.A OE2 no hydrogen 2.761 N/A GLY 125.A N VAL 148.A O no hydrogen 2.804 N/A ILE 126.A N VAL 190.A O no hydrogen 2.789 N/A VAL 127.A N LEU 146.A O no hydrogen 2.935 N/A SER 128.A OG GLN 15.A OE1 no hydrogen 2.646 N/A GLY 129.A N LYS 144.A O no hydrogen 2.967 N/A GLY 131.A N ASP 184.A OD1 no hydrogen 2.789 N/A ARG 132.A N GLN 182.A O no hydrogen 2.823 N/A ARG 132.A NH1 GLU 135.A O no hydrogen 3.235 N/A GLY 137.A N HIS 134.A O no hydrogen 2.914 N/A SER 140.A N PHE 130.A O no hydrogen 3.234 N/A SER 140.A N GLY 131.A O no hydrogen 3.190 N/A SER 140.A OG ARG 142.A O no hydrogen 2.856 N/A ARG 142.A N SER 140.A OG no hydrogen 3.266 N/A LEU 143.A N ARG 57.A O no hydrogen 3.102 N/A LYS 144.A N GLY 129.A O no hydrogen 3.170 N/A LYS 144.A NZ ILE 1.A O no hydrogen 2.695 N/A LYS 144.A NZ GLY 3.A O no hydrogen 2.785 N/A MET 145.A N GLN 5.A O no hydrogen 2.551 N/A LEU 146.A N VAL 127.A O no hydrogen 2.784 N/A VAL 148.A N GLY 125.A O no hydrogen 2.799 N/A TYR 150.A N LYS 123.A O no hydrogen 3.024 N/A TYR 150.A OH THR 191.A OG1 no hydrogen 2.533 N/A VAL 151.A N CYS 170.A O no hydrogen 3.159 N/A ARG 153.A NH1 MET 168.A O no hydrogen 2.833 N/A ARG 153.A NH2 MET 168.A O no hydrogen 2.875 N/A SER 155.A N ASP 152.A OD2 no hydrogen 3.206 N/A SER 155.A OG ASP 152.A OD2 no hydrogen 2.709 N/A CYS 156.A N ASP 152.A O no hydrogen 2.916 N/A LYS 157.A N ARG 153.A O no hydrogen 3.032 N/A LEU 158.A N ASN 154.A O no hydrogen 3.037 N/A SER 159.A N SER 155.A O no hydrogen 3.130 N/A SER 159.A OG SER 155.A O no hydrogen 3.423 N/A SER 159.A OG CYS 156.A O no hydrogen 2.631 N/A SER 160.A N LYS 157.A O no hydrogen 3.309 N/A SER 160.A OG PHE 162.A O no hydrogen 2.714 N/A SER 161.A N GLU 207.A OE2 no hydrogen 2.907 N/A SER 161.A OG GLU 207.A OE1 no hydrogen 2.939 N/A PHE 162.A N SER 160.A OG no hydrogen 3.231 N/A THR 165.A OG1 ASP 86.A OD1 no hydrogen 2.786 N/A ASN 167.A N THR 165.A OG1 no hydrogen 3.161 N/A MET 168.A N THR 165.A O no hydrogen 3.069 N/A PHE 169.A N TYR 218.A O no hydrogen 2.965 N/A ALA 171.A N GLY 216.A O no hydrogen 3.038 N/A GLY 172.A N PRO 149.A O no hydrogen 3.064 N/A TYR 173.A OH GLU 147.A O no hydrogen 2.757 N/A LYS 176.A NZ GLU 178.A OE1 no hydrogen 3.061 N/A GLU 178.A N LYS 176.A O no hydrogen 2.848 N/A ASP 179.A N VAL 2.A O no hydrogen 3.200 N/A ALA 180.A N ASP 179.A OD1 no hydrogen 2.770 N/A CYS 181.A N ASP 184.A OD2 no hydrogen 2.975 N/A CYS 181.A SG HIS 134.A O no hydrogen 4.031 N/A GLY 183.A N SER 185.A OG no hydrogen 3.273 N/A ASP 184.A N CYS 181.A O no hydrogen 2.931 N/A GLY 186.A N VAL 203.A O no hydrogen 2.658 N/A GLY 187.A N ASP 184.A O no hydrogen 2.894 N/A HIS 189.A N GLY 201.A O no hydrogen 2.948 N/A HIS 189.A ND1 THR 200.A OG1 no hydrogen 2.709 N/A VAL 190.A N ILE 126.A O no hydrogen 2.931 N/A THR 191.A N PHE 198.A O no hydrogen 2.787 N/A THR 191.A OG1 TYR 150.A OH no hydrogen 2.533 N/A THR 191.A OG1 THR 200.A OG1 no hydrogen 2.793 N/A PHE 193.A N THR 196.A O no hydrogen 2.742 N/A THR 196.A N PHE 193.A O no hydrogen 3.022 N/A THR 196.A OG1 LYS 194.A O no hydrogen 3.408 N/A PHE 198.A N THR 191.A O no hydrogen 2.913 N/A VAL 199.A N CYS 108.A O no hydrogen 2.953 N/A THR 200.A N HIS 189.A O no hydrogen 2.738 N/A THR 200.A OG1 TYR 150.A OH no hydrogen 3.419 N/A THR 200.A OG1 HIS 189.A ND1 no hydrogen 2.709 N/A THR 200.A OG1 HIS 189.A O no hydrogen 3.036 N/A THR 200.A OG1 THR 191.A OG1 no hydrogen 2.793 N/A GLY 201.A N HIS 189.A O no hydrogen 2.897 N/A ILE 202.A N THR 219.A O no hydrogen 3.120 N/A VAL 203.A N GLY 187.A O no hydrogen 3.260 N/A SER 204.A N ILE 217.A O no hydrogen 3.189 N/A SER 204.A OG ASP 88.A OD2 no hydrogen 2.355 N/A TRP 205.A N ILE 217.A O no hydrogen 3.177 N/A CYS 209.A N GLU 135.A OE1 no hydrogen 3.001 N/A CYS 209.A SG ALA 180.A O no hydrogen 3.811 N/A ALA 210.A N ASP 179.A OD2 no hydrogen 3.169 N/A ARG 211.A NE GLU 135.A OE1 no hydrogen 2.892 N/A ARG 211.A NH2 GLU 135.A OE2 no hydrogen 3.036 N/A LYS 214.A N ARG 211.A O no hydrogen 3.219 N/A LYS 214.A NZ SER 159.A O no hydrogen 2.577 N/A LYS 214.A NZ GLU 207.A OE1 no hydrogen 3.109 N/A LYS 214.A NZ GLU 207.A OE2 no hydrogen 3.159 N/A GLY 216.A N ALA 171.A O no hydrogen 2.805 N/A ILE 217.A N TRP 205.A O no hydrogen 2.864 N/A TYR 218.A N PHE 169.A O no hydrogen 2.960 N/A THR 219.A N ILE 202.A O no hydrogen 2.807 N/A THR 219.A OG1 ASP 88.A O no hydrogen 2.646 N/A LYS 220.A N ASN 167.A O no hydrogen 2.910 N/A VAL 221.A N THR 200.A O no hydrogen 3.434 N/A ALA 223.A N LYS 220.A O no hydrogen 3.262 N/A PHE 224.A N VAL 221.A O no hydrogen 2.950 N/A ILE 228.A N PHE 224.A O no hydrogen 2.744 N/A ASP 229.A N LEU 225.A O no hydrogen 2.892 N/A ARG 230.A N LYS 226.A O no hydrogen 2.848 N/A SER 231.A N TRP 227.A O no hydrogen 2.994 N/A SER 231.A OG TRP 227.A O no hydrogen 2.902 N/A MET 232.A N ILE 228.A O no hydrogen 3.202 N/A LYS 233.A N ARG 230.A O no hydrogen 3.299 N/A LEU 119A.A N ALA 115.A O no hydrogen 2.902 N/A GLY 213A.A N ASP 174A.A O no hydrogen 2.778 N/A MET 120B.A N ALA 115.A O no hydrogen 2.869 N/A