Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qbk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLU 7.A OE1 no hydrogen 2.466 N/A LEU 8.A N THR 4.A O no hydrogen 3.253 N/A PHE 9.A N GLN 5.A O no hydrogen 2.723 N/A GLU 10.A N ARG 6.A O no hydrogen 2.803 N/A PHE 11.A N GLU 7.A O no hydrogen 2.756 N/A VAL 12.A N LEU 8.A O no hydrogen 2.967 N/A LEU 13.A N PHE 9.A O no hydrogen 3.240 N/A ASN 14.A ND2 GLU 10.A O no hydrogen 2.926 N/A ALA 19.A N ASP 15.A O no hydrogen 2.870 N/A SER 20.A N PRO 16.A O no hydrogen 2.842 N/A SER 20.A OG PRO 16.A O no hydrogen 2.647 N/A SER 20.A OG LEU 17.A O no hydrogen 2.623 N/A SER 21.A N LEU 17.A O no hydrogen 2.999 N/A SER 21.A OG LEU 18.A O no hydrogen 2.779 N/A SER 21.A OG SER 229.A OG no hydrogen 2.607 N/A LEU 22.A N LEU 18.A O no hydrogen 3.301 N/A LEU 22.A N ALA 19.A O no hydrogen 3.061 N/A TYR 23.A N ALA 19.A O no hydrogen 2.842 N/A ILE 24.A N SER 20.A O no hydrogen 3.020 N/A ILE 26.A N LEU 22.A O no hydrogen 3.257 N/A ILE 26.A N TYR 23.A O no hydrogen 3.139 N/A ALA 27.A N TYR 23.A O no hydrogen 3.290 N/A LEU 28.A N ILE 24.A O no hydrogen 2.851 N/A ALA 29.A N ASN 25.A O no hydrogen 2.871 N/A GLY 30.A N ILE 26.A O no hydrogen 3.295 N/A LEU 31.A N ALA 27.A O no hydrogen 2.869 N/A SER 32.A N LEU 28.A O no hydrogen 2.927 N/A SER 32.A OG LEU 28.A O no hydrogen 2.942 N/A ILE 33.A N ALA 29.A O no hydrogen 3.002 N/A LEU 34.A N GLY 30.A O no hydrogen 3.288 N/A LEU 35.A N LEU 31.A O no hydrogen 2.983 N/A PHE 36.A N SER 32.A O no hydrogen 2.837 N/A VAL 37.A N ILE 33.A O no hydrogen 2.847 N/A PHE 38.A N LEU 34.A O no hydrogen 2.919 N/A MET 39.A N LEU 35.A O no hydrogen 2.863 N/A THR 40.A N PHE 36.A O no hydrogen 3.081 N/A THR 40.A N VAL 37.A O no hydrogen 3.240 N/A THR 40.A OG1 PHE 36.A O no hydrogen 2.705 N/A THR 40.A OG1 VAL 37.A O no hydrogen 3.201 N/A LEU 43.A N THR 40.A O no hydrogen 3.049 N/A ASP 44.A N GLU 255.A OE1 no hydrogen 2.626 N/A ASP 45.A N GLU 255.A OE1 no hydrogen 2.730 N/A ARG 47.A NH1 VAL 258.A O no hydrogen 3.048 N/A ARG 47.A NH2 LEU 124.A O no hydrogen 2.771 N/A ALA 48.A N ASP 45.A OD2 no hydrogen 3.031 N/A LYS 49.A N ASP 45.A O no hydrogen 2.928 N/A LEU 50.A N PRO 46.A O no hydrogen 2.978 N/A LEU 50.A N ARG 47.A O no hydrogen 3.039 N/A ILE 51.A N ARG 47.A O no hydrogen 3.242 N/A ALA 52.A N ALA 48.A O no hydrogen 3.141 N/A VAL 53.A N LYS 49.A O no hydrogen 3.019 N/A SER 54.A N LEU 50.A O no hydrogen 2.893 N/A SER 54.A OG MET 117.A O no hydrogen 3.156 N/A THR 55.A N ILE 51.A O no hydrogen 2.978 N/A THR 55.A OG1 ILE 51.A O no hydrogen 2.702 N/A ILE 56.A N ALA 52.A O no hydrogen 2.870 N/A LEU 57.A N VAL 53.A O no hydrogen 3.003 N/A VAL 58.A N THR 55.A O no hydrogen 3.131 N/A VAL 60.A N ILE 56.A O no hydrogen 3.426 N/A VAL 61.A N LEU 57.A O no hydrogen 2.878 N/A SER 62.A N VAL 58.A O no hydrogen 3.039 N/A SER 62.A OG TYR 241.A OH no hydrogen 2.793 N/A ILE 63.A N PRO 59.A O no hydrogen 2.878 N/A ALA 64.A N VAL 60.A O no hydrogen 3.358 N/A SER 65.A N VAL 61.A O no hydrogen 2.872 N/A SER 65.A OG THR 110.A OG1 no hydrogen 2.621 N/A TYR 66.A N SER 62.A O no hydrogen 2.993 N/A TYR 66.A OH ASP 236.A OD2 no hydrogen 2.521 N/A THR 67.A N ILE 63.A O no hydrogen 3.065 N/A THR 67.A OG1 ILE 63.A O no hydrogen 2.790 N/A GLY 68.A N ALA 64.A O no hydrogen 2.947 N/A LEU 69.A N SER 65.A O no hydrogen 3.036 N/A LEU 69.A N TYR 66.A O no hydrogen 3.179 N/A ALA 70.A N TYR 66.A O no hydrogen 2.822 N/A SER 71.A N THR 67.A O no hydrogen 2.929 N/A SER 71.A OG THR 67.A O no hydrogen 2.939 N/A SER 71.A OG GLY 68.A O no hydrogen 3.298 N/A GLY 72.A N LEU 69.A O no hydrogen 3.033 N/A LEU 73.A N SER 71.A OG no hydrogen 3.147 N/A THR 74.A N GLY 68.A O no hydrogen 2.830 N/A SER 76.A N THR 103.A O no hydrogen 2.994 N/A LEU 78.A N VAL 101.A O no hydrogen 3.015 N/A GLY 83.A N GLU 87.A OE2 no hydrogen 3.097 N/A HIS 84.A N PRO 81.A O no hydrogen 3.029 N/A HIS 84.A NE2 GLU 218.A O no hydrogen 2.932 N/A ALA 86.A N HIS 84.A ND1 no hydrogen 2.939 N/A GLU 87.A N HIS 84.A O no hydrogen 2.926 N/A SER 89.A OG ALA 86.A O no hydrogen 2.605 N/A SER 90.A OG GLU 97.A OE2 no hydrogen 3.078 N/A VAL 91.A N VAL 98.A O no hydrogen 2.842 N/A GLU 96.A N LEU 93.A O no hydrogen 2.989 N/A GLY 100.A N SER 89.A O no hydrogen 2.837 N/A VAL 101.A N LEU 78.A O no hydrogen 2.720 N/A THR 103.A N SER 76.A O no hydrogen 2.676 N/A THR 103.A OG1 VAL 101.A O no hydrogen 3.534 N/A TRP 105.A NE1 SER 76.A OG no hydrogen 2.966 N/A GLY 106.A N THR 74.A O no hydrogen 2.893 N/A ARG 107.A N MET 104.A O no hydrogen 3.406 N/A ARG 107.A NH1 TYR 66.A OH no hydrogen 3.073 N/A ARG 107.A NH2 SER 229.A OG no hydrogen 2.979 N/A ARG 107.A NH2 SER 233.A OG no hydrogen 3.032 N/A TYR 108.A OH GLU 218.A OE2 no hydrogen 2.509 N/A LEU 109.A N TRP 105.A O no hydrogen 3.119 N/A THR 110.A N GLY 106.A O no hydrogen 3.303 N/A THR 110.A OG1 SER 65.A OG no hydrogen 2.621 N/A THR 110.A OG1 GLY 106.A O no hydrogen 3.103 N/A THR 110.A OG1 ARG 107.A O no hydrogen 3.111 N/A TRP 111.A N ARG 107.A O no hydrogen 3.100 N/A LEU 113.A N THR 110.A O no hydrogen 2.726 N/A SER 114.A N THR 110.A O no hydrogen 2.979 N/A SER 114.A OG THR 110.A O no hydrogen 3.516 N/A THR 115.A N TRP 111.A O no hydrogen 2.971 N/A THR 115.A OG1 TRP 111.A O no hydrogen 2.586 N/A THR 115.A OG1 ASP 140.A OD1 no hydrogen 3.059 N/A THR 115.A OG1 ASP 140.A OD2 no hydrogen 2.536 N/A MET 117.A N SER 114.A O no hydrogen 2.919 N/A ILE 118.A N SER 114.A O no hydrogen 3.143 N/A LEU 119.A N THR 115.A O no hydrogen 3.051 N/A LEU 120.A N PRO 116.A O no hydrogen 2.978 N/A ALA 121.A N MET 117.A O no hydrogen 3.158 N/A LEU 122.A N ILE 118.A O no hydrogen 3.069 N/A GLY 123.A N LEU 119.A O no hydrogen 2.765 N/A LEU 124.A N LEU 120.A O no hydrogen 2.754 N/A LEU 125.A N ALA 121.A O no hydrogen 2.713 N/A ALA 126.A N LEU 122.A O no hydrogen 2.791 N/A GLY 127.A N LEU 124.A O no hydrogen 2.822 N/A SER 128.A N GLY 123.A O no hydrogen 3.047 N/A SER 128.A OG ASN 129.A O no hydrogen 2.838 N/A LYS 132.A N ASN 129.A OD1 no hydrogen 2.898 N/A LYS 132.A NZ GLU 181.A OE1 no hydrogen 2.540 N/A LYS 132.A NZ ASP 185.A OD1 no hydrogen 3.045 N/A LYS 132.A NZ ASP 185.A OD2 no hydrogen 3.379 N/A LEU 133.A N ASN 129.A O no hydrogen 3.472 N/A PHE 134.A N ALA 130.A O no hydrogen 2.879 N/A THR 135.A N THR 131.A O no hydrogen 3.032 N/A THR 135.A OG1 THR 131.A O no hydrogen 2.637 N/A ALA 136.A N LYS 132.A O no hydrogen 2.861 N/A ILE 137.A N LEU 133.A O no hydrogen 2.971 N/A THR 138.A N PHE 134.A O no hydrogen 3.033 N/A THR 138.A OG1 PHE 134.A O no hydrogen 2.861 N/A THR 138.A OG1 THR 135.A O no hydrogen 3.280 N/A PHE 139.A N THR 135.A O no hydrogen 3.220 N/A ASP 140.A N ALA 136.A O no hydrogen 3.009 N/A ILE 141.A N ILE 137.A O no hydrogen 3.063 N/A ALA 142.A N THR 138.A O no hydrogen 2.889 N/A MET 143.A N PHE 139.A O no hydrogen 2.902 N/A CYS 144.A N ASP 140.A O no hydrogen 3.055 N/A CYS 144.A SG THR 115.A OG1 no hydrogen 3.494 N/A CYS 144.A SG ASP 140.A O no hydrogen 3.536 N/A VAL 145.A N ILE 141.A O no hydrogen 2.876 N/A THR 146.A N ALA 142.A O no hydrogen 3.013 N/A THR 146.A OG1 ALA 142.A O no hydrogen 2.737 N/A THR 146.A OG1 MET 143.A O no hydrogen 3.096 N/A GLY 147.A N MET 143.A O no hydrogen 3.046 N/A GLY 147.A N CYS 144.A O no hydrogen 3.229 N/A LEU 148.A N CYS 144.A O no hydrogen 3.028 N/A ALA 149.A N VAL 145.A O no hydrogen 3.023 N/A ALA 150.A N THR 146.A O no hydrogen 3.096 N/A ALA 151.A N GLY 147.A O no hydrogen 3.199 N/A LEU 152.A N LEU 148.A O no hydrogen 3.006 N/A LEU 152.A N ALA 149.A O no hydrogen 3.081 N/A THR 153.A OG1 ALA 149.A O no hydrogen 2.791 N/A MET 159.A N SER 156.A OG no hydrogen 3.013 N/A ARG 160.A N SER 156.A O no hydrogen 3.355 N/A ARG 160.A NH1 ALA 151.A O no hydrogen 3.193 N/A ARG 160.A NH1 THR 153.A O no hydrogen 2.856 N/A ARG 160.A NH2 GLU 218.A O no hydrogen 2.914 N/A TRP 161.A N HIS 157.A O no hydrogen 3.394 N/A TRP 161.A NE1 HIS 157.A NE2 no hydrogen 2.947 N/A PHE 162.A N LEU 158.A O no hydrogen 2.972 N/A PHE 162.A N MET 159.A O no hydrogen 3.165 N/A TRP 163.A N MET 159.A O no hydrogen 2.981 N/A TYR 164.A N ARG 160.A O no hydrogen 3.130 N/A TYR 164.A OH PRO 210.A O no hydrogen 2.681 N/A ALA 165.A N TRP 161.A O no hydrogen 2.961 N/A ILE 166.A N PHE 162.A O no hydrogen 3.013 N/A SER 167.A N TRP 163.A O no hydrogen 2.863 N/A SER 167.A OG MET 143.A O no hydrogen 2.688 N/A CYS 168.A N TYR 164.A O no hydrogen 2.908 N/A CYS 168.A SG TYR 164.A O no hydrogen 3.356 N/A ALA 169.A N ALA 165.A O no hydrogen 3.007 N/A CYS 170.A N ILE 166.A O no hydrogen 3.109 N/A CYS 170.A SG ILE 166.A O no hydrogen 3.538 N/A PHE 171.A N SER 167.A O no hydrogen 2.958 N/A ILE 172.A N CYS 168.A O no hydrogen 2.998 N/A VAL 174.A N CYS 170.A O no hydrogen 3.471 N/A LEU 175.A N PHE 171.A O no hydrogen 2.941 N/A TYR 176.A N ILE 172.A O no hydrogen 2.767 N/A ILE 177.A N VAL 173.A O no hydrogen 3.113 N/A LEU 178.A N VAL 174.A O no hydrogen 3.055 N/A LEU 179.A N LEU 175.A O no hydrogen 2.946 N/A VAL 180.A N TYR 176.A O no hydrogen 2.765 N/A GLU 181.A N TYR 176.A O no hydrogen 3.355 N/A TRP 182.A N ILE 177.A O no hydrogen 2.753 N/A GLN 184.A N GLU 181.A O no hydrogen 3.058 N/A ASP 185.A N GLU 181.A O no hydrogen 3.141 N/A ALA 186.A N TRP 182.A O no hydrogen 2.945 N/A LYS 187.A N GLN 184.A O no hydrogen 3.071 N/A ALA 189.A N ASP 185.A O no hydrogen 3.046 N/A THR 191.A N ALA 186.A O no hydrogen 2.990 N/A THR 191.A OG1 LEU 125.A O no hydrogen 2.659 N/A PHE 195.A N THR 191.A O no hydrogen 2.933 N/A SER 196.A N ALA 192.A O no hydrogen 2.927 N/A THR 197.A N ASP 193.A O no hydrogen 3.222 N/A THR 197.A OG1 ASP 193.A O no hydrogen 2.913 N/A LEU 198.A N ILE 194.A O no hydrogen 3.023 N/A LYS 199.A N PHE 195.A O no hydrogen 2.607 N/A LEU 200.A N SER 196.A O no hydrogen 3.056 N/A LEU 201.A N THR 197.A O no hydrogen 2.968 N/A THR 202.A N LEU 198.A O no hydrogen 2.969 N/A THR 202.A OG1 LEU 198.A O no hydrogen 2.887 N/A VAL 203.A N LYS 199.A O no hydrogen 2.836 N/A VAL 204.A N LEU 200.A O no hydrogen 2.904 N/A MET 205.A N LEU 201.A O no hydrogen 3.050 N/A TRP 206.A N THR 202.A O no hydrogen 2.863 N/A LEU 207.A N VAL 203.A O no hydrogen 3.154 N/A GLY 208.A N MET 205.A O no hydrogen 2.871 N/A TYR 209.A N TRP 206.A O no hydrogen 3.285 N/A TYR 209.A OH ASP 236.A OD1 no hydrogen 2.729 N/A VAL 212.A N GLY 208.A O no hydrogen 2.819 N/A TRP 213.A N TYR 209.A O no hydrogen 2.803 N/A ALA 214.A N PRO 210.A O no hydrogen 2.977 N/A LEU 215.A N ILE 211.A O no hydrogen 2.897 N/A GLY 216.A N VAL 212.A O no hydrogen 2.738 N/A GLY 219.A N GLY 216.A O no hydrogen 2.712 N/A VAL 220.A N ALA 214.A O no hydrogen 2.690 N/A ALA 221.A N GLY 216.A O no hydrogen 2.960 N/A VAL 222.A N LEU 215.A O no hydrogen 2.847 N/A LEU 223.A N LEU 215.A O no hydrogen 3.005 N/A TYR 227.A N PRO 224.A O no hydrogen 2.833 N/A THR 228.A N PRO 224.A O no hydrogen 3.022 N/A THR 228.A OG1 VAL 225.A O no hydrogen 3.128 N/A SER 229.A N VAL 225.A O no hydrogen 2.979 N/A SER 229.A OG SER 21.A OG no hydrogen 2.607 N/A TRP 230.A N GLY 226.A O no hydrogen 3.189 N/A TRP 230.A NE1 SER 20.A OG no hydrogen 2.847 N/A ALA 231.A N TYR 227.A O no hydrogen 3.071 N/A TYR 232.A N THR 228.A O no hydrogen 3.140 N/A SER 233.A N SER 229.A O no hydrogen 2.950 N/A SER 233.A OG SER 21.A O no hydrogen 2.729 N/A SER 233.A OG SER 229.A O no hydrogen 3.097 N/A ALA 234.A N TRP 230.A O no hydrogen 2.802 N/A LEU 235.A N ALA 231.A O no hydrogen 2.946 N/A ASP 236.A N TYR 232.A O no hydrogen 2.901 N/A ILE 237.A N SER 233.A O no hydrogen 3.175 N/A VAL 238.A N ALA 234.A O no hydrogen 3.434 N/A VAL 238.A N LEU 235.A O no hydrogen 3.155 N/A ALA 239.A N LEU 235.A O no hydrogen 2.770 N/A LYS 240.A N ASP 236.A O no hydrogen 2.846 N/A TYR 241.A OH SER 62.A OG no hydrogen 2.793 N/A ILE 242.A N ILE 237.A O no hydrogen 2.935 N/A PHE 243.A N VAL 238.A O no hydrogen 2.956 N/A ALA 244.A N LYS 240.A O no hydrogen 2.850 N/A PHE 245.A N TYR 241.A O no hydrogen 2.919 N/A LEU 246.A N ILE 242.A O no hydrogen 2.890 N/A LEU 247.A N PHE 243.A O no hydrogen 3.055 N/A LEU 248.A N ALA 244.A O no hydrogen 2.841 N/A ASN 249.A N PHE 245.A O no hydrogen 2.887 N/A TYR 250.A N LEU 246.A O no hydrogen 3.264 N/A LEU 251.A N LEU 247.A O no hydrogen 2.943 N/A THR 252.A N LEU 248.A O no hydrogen 3.023 N/A SER 253.A N TYR 250.A O no hydrogen 3.083 N/A ASN 254.A N LEU 251.A O no hydrogen 3.112 N/A ASN 254.A ND2 TYR 250.A O no hydrogen 2.698 N/A VAL 257.A N ASN 254.A O no hydrogen 2.811 N/A SER 259.A N GLY 256.A O no hydrogen 3.431 N/A SER 259.A OG GLY 256.A O no hydrogen 2.859 N/A SER 261.A OG GLY 260.A O no hydrogen 2.766 N/A