Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bkj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ASN 1.A OD1 no hydrogen 3.022 N/A GLU 5.A N ASN 1.A O no hydrogen 3.209 N/A THR 6.A N ASN 2.A O no hydrogen 3.075 N/A THR 6.A OG1 ASN 2.A O no hydrogen 2.818 N/A ILE 7.A N THR 3.A O no hydrogen 3.106 N/A LEU 8.A N ILE 4.A O no hydrogen 2.992 N/A ALA 9.A N THR 6.A O no hydrogen 3.246 N/A HIS 10.A ND1 GLU 119.A OE2 no hydrogen 2.572 N/A ARG 11.A NE ALA 9.A O no hydrogen 3.115 N/A ARG 11.A NH1 PRO 163.A O no hydrogen 3.418 N/A ILE 13.A N GLY 125.A O no hydrogen 3.052 N/A ARG 14.A N GLN 161.A OE1 no hydrogen 2.764 N/A THR 17.A N HIS 158.A O no hydrogen 3.025 N/A THR 22.A N GLN 25.A OE1 no hydrogen 3.182 N/A GLN 25.A N THR 22.A OG1 no hydrogen 3.203 N/A ARG 26.A N THR 22.A O no hydrogen 2.984 N/A ARG 26.A NH1 ASP 23.A OD1 no hydrogen 2.742 N/A ARG 26.A NH2 ASP 23.A OD1 no hydrogen 3.423 N/A GLN 27.A N ASP 23.A O no hydrogen 2.945 N/A THR 28.A N GLU 24.A O no hydrogen 3.093 N/A THR 28.A OG1 GLU 24.A O no hydrogen 2.893 N/A ILE 29.A N GLN 25.A O no hydrogen 3.003 N/A ILE 30.A N ARG 26.A O no hydrogen 3.117 N/A GLN 31.A N GLN 27.A O no hydrogen 2.998 N/A ALA 32.A N THR 28.A O no hydrogen 2.886 N/A GLY 33.A N ILE 29.A O no hydrogen 3.080 N/A LEU 34.A N ILE 30.A O no hydrogen 2.853 N/A ALA 35.A N GLN 31.A O no hydrogen 3.047 N/A ALA 36.A N GLY 33.A O no hydrogen 3.113 N/A SER 39.A N ASP 106.A OD2 no hydrogen 2.852 N/A SER 39.A OG ASP 106.A OD1 no hydrogen 2.776 N/A SER 39.A OG ASP 106.A OD2 no hydrogen 3.311 N/A MET 41.A N SER 38.A O no hydrogen 3.142 N/A LEU 42.A N SER 39.A O no hydrogen 2.995 N/A GLN 43.A N SER 38.A OG no hydrogen 3.078 N/A SER 46.A N CYS 79.A O no hydrogen 2.904 N/A SER 46.A OG ASP 81.A OD2 no hydrogen 2.572 N/A VAL 48.A N VAL 77.A O no hydrogen 2.823 N/A ARG 49.A NE GLU 74.A OE1 no hydrogen 2.720 N/A ARG 49.A NH2 GLU 74.A OE1 no hydrogen 3.466 N/A ARG 49.A NH2 GLU 74.A OE2 no hydrogen 3.074 N/A VAL 50.A N PHE 75.A O no hydrogen 3.000 N/A LYS 55.A N ASP 52.A OD2 no hydrogen 2.993 N/A LYS 55.A NZ LEU 141.A O no hydrogen 3.092 N/A ARG 56.A N ASP 52.A O no hydrogen 3.042 N/A ARG 56.A NE VAL 50.A O no hydrogen 2.814 N/A ARG 56.A NH1 VAL 69.A O no hydrogen 3.008 N/A ARG 56.A NH1 ALA 72.A O no hydrogen 2.762 N/A ARG 56.A NH2 ALA 72.A O no hydrogen 3.299 N/A ARG 56.A NH2 ALA 73.A O no hydrogen 3.182 N/A ASN 57.A N SER 53.A O no hydrogen 3.240 N/A GLU 58.A N GLU 54.A O no hydrogen 3.218 N/A LEU 59.A N LYS 55.A O no hydrogen 2.848 N/A ALA 60.A N ARG 56.A O no hydrogen 3.079 N/A GLN 61.A N ASN 57.A O no hydrogen 3.354 N/A PHE 62.A N GLU 58.A O no hydrogen 2.980 N/A GLY 64.A N GLN 61.A O no hydrogen 2.952 N/A ASN 65.A N GLN 61.A O no hydrogen 3.462 N/A GLN 66.A N ALA 60.A O no hydrogen 3.153 N/A GLN 66.A NE2 ALA 63.A O no hydrogen 2.743 N/A TYR 68.A OH GLN 66.A OE1 no hydrogen 2.809 N/A VAL 69.A N GLN 66.A O no hydrogen 3.159 N/A GLU 70.A N ALA 67.A O no hydrogen 2.959 N/A SER 71.A N ALA 67.A O no hydrogen 3.202 N/A ALA 72.A N TYR 68.A O no hydrogen 3.167 N/A GLU 74.A N LEU 156.A O no hydrogen 3.086 N/A LEU 76.A N MET 154.A O no hydrogen 3.023 N/A VAL 77.A N VAL 48.A O no hydrogen 2.841 N/A PHE 78.A N PHE 152.A O no hydrogen 2.798 N/A CYS 79.A N SER 46.A O no hydrogen 2.801 N/A CYS 79.A SG VAL 77.A O no hydrogen 3.962 N/A ILE 80.A N ALA 149.A O no hydrogen 2.967 N/A ASP 81.A N VAL 44.A O no hydrogen 2.737 N/A TYR 82.A N ASN 147.A O no hydrogen 2.871 N/A TYR 82.A OH LEU 99.A O no hydrogen 2.728 N/A GLN 83.A N ASP 81.A OD1 no hydrogen 2.837 N/A GLN 83.A NE2 GLU 146.A O no hydrogen 2.776 N/A ARG 84.A N ASP 81.A OD1 no hydrogen 3.329 N/A ARG 84.A NH2 GLN 43.A O no hydrogen 2.761 N/A ARG 84.A NH2 VAL 45.A O no hydrogen 2.941 N/A HIS 85.A NE2 LEU 42.A O no hydrogen 2.731 N/A ALA 86.A N TYR 82.A O no hydrogen 3.088 N/A THR 87.A N GLN 83.A O no hydrogen 2.929 N/A THR 87.A OG1 GLN 83.A O no hydrogen 2.877 N/A THR 87.A OG1 GLN 83.A OE1 no hydrogen 3.031 N/A ILE 88.A N ARG 84.A O no hydrogen 3.189 N/A ASN 89.A N HIS 85.A O no hydrogen 2.946 N/A ASP 91.A N ASN 89.A OD1 no hydrogen 2.964 N/A VAL 92.A N ASN 89.A O no hydrogen 3.430 N/A THR 97.A N ARG 230.A O no hydrogen 2.773 N/A THR 97.A OG1 ARG 230.A O no hydrogen 2.739 N/A LEU 99.A N PHE 96.A O no hydrogen 2.917 N/A THR 100.A N THR 97.A O no hydrogen 3.014 N/A LEU 101.A N THR 97.A O no hydrogen 2.941 N/A ILE 102.A N GLU 98.A O no hydrogen 2.954 N/A GLY 103.A N LEU 99.A O no hydrogen 2.960 N/A ALA 104.A N THR 100.A O no hydrogen 2.933 N/A VAL 105.A N LEU 101.A O no hydrogen 2.977 N/A ASP 106.A N ILE 102.A O no hydrogen 2.882 N/A SER 107.A N GLY 103.A O no hydrogen 3.085 N/A SER 107.A OG GLY 103.A O no hydrogen 2.807 N/A GLY 108.A N ALA 104.A O no hydrogen 3.209 N/A ILE 109.A N VAL 105.A O no hydrogen 3.103 N/A MET 110.A N ASP 106.A O no hydrogen 3.020 N/A ALA 111.A N SER 107.A O no hydrogen 2.896 N/A GLN 112.A N GLY 108.A O no hydrogen 3.055 N/A ASN 113.A N ILE 109.A O no hydrogen 3.284 N/A ASN 113.A ND2 ALA 32.A O no hydrogen 2.958 N/A CYS 114.A N MET 110.A O no hydrogen 3.128 N/A CYS 114.A SG ILE 29.A O no hydrogen 3.548 N/A CYS 114.A SG MET 110.A O no hydrogen 3.571 N/A LEU 115.A N ALA 111.A O no hydrogen 2.917 N/A LEU 116.A N GLN 112.A O no hydrogen 2.931 N/A ALA 117.A N ASN 113.A O no hydrogen 2.952 N/A ALA 118.A N CYS 114.A O no hydrogen 3.029 N/A GLU 119.A N LEU 115.A O no hydrogen 2.860 N/A SER 120.A N LEU 116.A O no hydrogen 2.961 N/A SER 120.A OG ALA 117.A O no hydrogen 2.660 N/A MET 121.A N ALA 118.A O no hydrogen 3.056 N/A GLY 122.A N GLU 119.A O no hydrogen 3.056 N/A LEU 123.A N ALA 118.A O no hydrogen 3.091 N/A GLY 124.A N GLY 157.A O no hydrogen 2.721 N/A VAL 126.A N CYS 155.A O no hydrogen 3.200 N/A TYR 127.A OH GLN 112.A OE1 no hydrogen 2.753 N/A ILE 128.A N GLY 153.A O no hydrogen 2.845 N/A ARG 132.A N GLY 129.A O no hydrogen 3.155 N/A ARG 132.A NH1 LEU 151.A O no hydrogen 2.855 N/A ASN 133.A N GLY 130.A O no hydrogen 3.186 N/A SER 134.A N LEU 131.A O no hydrogen 3.192 N/A ALA 135.A N ARG 132.A O no hydrogen 3.296 N/A GLN 137.A N GLN 137.A OE1 no hydrogen 3.047 N/A VAL 138.A N SER 134.A O no hydrogen 3.076 N/A ASP 139.A N ALA 135.A O no hydrogen 2.925 N/A GLU 140.A N ALA 136.A O no hydrogen 3.120 N/A LEU 141.A N GLN 137.A O no hydrogen 3.092 N/A LEU 142.A N VAL 138.A O no hydrogen 3.056 N/A GLY 143.A N GLU 140.A O no hydrogen 3.138 N/A LEU 144.A N ASP 139.A O no hydrogen 3.093 N/A ASN 147.A N LYS 225.A O no hydrogen 2.805 N/A SER 148.A OG ILE 80.A O no hydrogen 3.050 N/A ALA 149.A N ILE 80.A O no hydrogen 3.216 N/A VAL 150.A N TYR 221.A OH no hydrogen 2.971 N/A LEU 151.A N PHE 78.A O no hydrogen 3.109 N/A PHE 152.A N PHE 78.A O no hydrogen 3.508 N/A GLY 153.A N ILE 128.A O no hydrogen 2.845 N/A CYS 155.A N VAL 126.A O no hydrogen 2.948 N/A CYS 155.A SG TYR 68.A O no hydrogen 3.345 N/A LEU 156.A N GLU 74.A O no hydrogen 2.976 N/A GLY 157.A N GLY 124.A O no hydrogen 3.114 N/A ASP 160.A N LYS 15.A O no hydrogen 2.871 N/A LYS 166.A NZ TYR 199.A OH no hydrogen 3.179 N/A ARG 168.A NH1 LYS 166.A O no hydrogen 2.998 N/A HIS 172.A NE2 ASP 187.A OD1 no hydrogen 3.173 N/A VAL 173.A N PRO 170.A O no hydrogen 3.036 N/A VAL 174.A N PRO 170.A O no hydrogen 3.377 N/A VAL 175.A N ALA 171.A O no hydrogen 2.861 N/A GLN 179.A N GLU 177.A O no hydrogen 2.755 N/A GLN 181.A N HIS 176.A ND1 no hydrogen 3.026 N/A ASP 186.A N ASN 184.A OD1 no hydrogen 3.338 N/A ASP 187.A N ASN 184.A O no hydrogen 2.963 N/A ILE 188.A N LEU 185.A O no hydrogen 3.240 N/A GLN 189.A N LEU 185.A O no hydrogen 3.122 N/A SER 190.A N ASP 186.A O no hydrogen 3.218 N/A SER 190.A OG ASP 186.A O no hydrogen 2.871 N/A TYR 191.A N ASP 187.A O no hydrogen 3.121 N/A TYR 191.A OH PRO 167.A O no hydrogen 2.779 N/A ASP 192.A N ILE 188.A O no hydrogen 2.933 N/A GLN 193.A N GLN 189.A O no hydrogen 3.198 N/A THR 194.A N SER 190.A O no hydrogen 3.121 N/A THR 194.A OG1 SER 190.A O no hydrogen 2.965 N/A MET 195.A N TYR 191.A O no hydrogen 2.907 N/A GLN 196.A N ASP 192.A O no hydrogen 3.049 N/A ALA 197.A N GLN 193.A O no hydrogen 3.344 N/A TYR 198.A N THR 194.A O no hydrogen 3.376 N/A TYR 198.A OH GLU 164.A O no hydrogen 2.983 N/A TYR 199.A N MET 195.A O no hydrogen 3.087 N/A SER 203.A N ASP 192.A OD1 no hydrogen 3.054 N/A SER 203.A OG ASP 192.A OD1 no hydrogen 3.567 N/A SER 203.A OG ASP 192.A OD2 no hydrogen 2.674 N/A GLU 205.A N THR 201.A O no hydrogen 2.900 N/A VAL 206.A N TRP 202.A O no hydrogen 2.955 N/A THR 207.A N SER 203.A O no hydrogen 3.230 N/A THR 207.A OG1 SER 203.A O no hydrogen 2.679 N/A GLY 208.A N GLN 204.A O no hydrogen 3.315 N/A LYS 209.A N GLU 205.A O no hydrogen 3.216 N/A LEU 210.A N VAL 206.A O no hydrogen 3.322 N/A HIS 217.A NE2 ARG 132.A O no hydrogen 2.853 N/A ILE 218.A N ARG 215.A O no hydrogen 3.233 N/A TYR 221.A N HIS 217.A O no hydrogen 2.996 N/A TYR 221.A OH ASP 139.A OD2 no hydrogen 2.627 N/A LEU 222.A N ILE 218.A O no hydrogen 2.961 N/A ASN 223.A N LEU 219.A O no hydrogen 2.941 N/A ASN 223.A ND2 LEU 227.A O no hydrogen 2.895 N/A ASN 223.A ND2 ALA 228.A O no hydrogen 2.913 N/A SER 224.A N PRO 220.A O no hydrogen 2.908 N/A SER 224.A OG TYR 221.A O no hydrogen 2.738 N/A LYS 225.A N LEU 222.A O no hydrogen 3.057 N/A LYS 225.A NZ ASP 139.A OD1 no hydrogen 3.160 N/A LYS 225.A NZ ASP 139.A OD2 no hydrogen 2.766 N/A LYS 225.A NZ LEU 144.A O no hydrogen 3.292 N/A LYS 225.A NZ PRO 145.A O no hydrogen 2.804 N/A LYS 225.A NZ SER 148.A O no hydrogen 2.726 N/A GLY 226.A N ASN 223.A O no hydrogen 3.020 N/A LEU 227.A N LEU 222.A O no hydrogen 2.913 N/A LYS 229.A N ASP 95.A O no hydrogen 2.847 N/A ARG 230.A N ASP 95.A O no hydrogen 3.447 N/A ARG 230.A NE ASP 95.A OD2 no hydrogen 2.776 N/A ARG 230.A NH2 GLN 93.A OE1 no hydrogen 3.053 N/A ARG 230.A NH2 ASP 95.A OD1 no hydrogen 2.936 N/A ARG 230.A NH2 ASP 95.A OD2 no hydrogen 3.291 N/A