Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tbs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 2.961 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.913 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.098 N/A MET 5.A N CYS 101.A O no hydrogen 2.960 N/A ARG 6.A N TYR 27.A O no hydrogen 2.987 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.123 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.675 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.835 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 3.497 N/A TYR 7.A N SER 99.A O no hydrogen 2.769 N/A PHE 8.A N VAL 25.A O no hydrogen 2.786 N/A GLU 9.A N GLN 97.A O no hydrogen 2.776 N/A THR 10.A N ILE 23.A O no hydrogen 2.776 N/A ALA 11.A N LEU 95.A O no hydrogen 2.887 N/A VAL 12.A N ARG 21.A O no hydrogen 2.965 N/A SER 13.A N HIS 93.A O no hydrogen 2.851 N/A SER 13.A OG HIS 93.A O no hydrogen 3.471 N/A ARG 21.A N VAL 12.A O no hydrogen 2.969 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.242 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.503 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.828 N/A TYR 22.A N SER 38.A OG no hydrogen 2.848 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.484 N/A ILE 23.A N THR 10.A O no hydrogen 2.833 N/A SER 24.A N PHE 36.A O no hydrogen 2.909 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.486 N/A VAL 25.A N PHE 8.A O no hydrogen 3.033 N/A GLY 26.A N VAL 34.A O no hydrogen 3.004 N/A TYR 27.A N ARG 6.A O no hydrogen 2.715 N/A VAL 28.A N LYS 31.A O no hydrogen 2.844 N/A ASP 29.A N SER 4.A O no hydrogen 2.963 N/A LYS 31.A N VAL 28.A O no hydrogen 2.930 N/A PHE 33.A N GLY 26.A O no hydrogen 3.111 N/A ARG 35.A N GLU 46.A O no hydrogen 3.094 N/A ARG 35.A NH1 GLU 32.A OE2 no hydrogen 2.649 N/A PHE 36.A N SER 24.A O no hydrogen 2.768 N/A SER 38.A N TYR 22.A O no hydrogen 2.965 N/A SER 38.A OG TYR 22.A O no hydrogen 3.379 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.960 N/A ALA 40.A N ASP 37.A O no hydrogen 2.991 N/A ARG 44.A NH1 GLU 61.A OE2 no hydrogen 3.327 N/A ARG 44.A NH2 GLU 61.A OE2 no hydrogen 3.333 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.032 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.486 N/A GLU 46.A N ARG 35.A O no hydrogen 2.906 N/A ARG 48.A N PHE 33.A O no hydrogen 2.581 N/A MET 52.A N ALA 49.A O no hydrogen 2.919 N/A GLU 55.A N MET 52.A O no hydrogen 2.960 N/A TYR 59.A N GLY 56.A O no hydrogen 2.947 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.466 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.213 N/A GLU 61.A N PRO 57.A O no hydrogen 3.007 N/A ARG 62.A N GLU 58.A O no hydrogen 3.060 N/A GLU 63.A N TYR 59.A O no hydrogen 2.936 N/A THR 64.A N TRP 60.A O no hydrogen 2.943 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.829 N/A GLN 65.A N GLU 61.A O no hydrogen 2.948 N/A LYS 66.A N ARG 62.A O no hydrogen 2.804 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.993 N/A LYS 66.A NZ GLU 163.A OE1 no hydrogen 3.064 N/A ALA 67.A N GLU 63.A O no hydrogen 2.976 N/A LYS 68.A N THR 64.A O no hydrogen 3.043 N/A GLY 69.A N GLN 65.A O no hydrogen 3.185 N/A GLN 70.A N LYS 66.A O no hydrogen 3.156 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 2.842 N/A GLN 70.A NE2 GLU 9.A OE2 no hydrogen 3.295 N/A GLU 71.A N ALA 67.A O no hydrogen 2.841 N/A GLN 72.A N LYS 68.A O no hydrogen 3.240 N/A TRP 73.A N GLY 69.A O no hydrogen 2.881 N/A PHE 74.A N GLN 70.A O no hydrogen 2.667 N/A ARG 75.A N GLU 71.A O no hydrogen 3.136 N/A ARG 75.A NH2 GLU 19.A OE2 no hydrogen 3.382 N/A VAL 76.A N GLN 72.A O no hydrogen 2.948 N/A SER 77.A N TRP 73.A O no hydrogen 2.973 N/A SER 77.A OG TRP 73.A O no hydrogen 2.999 N/A LEU 78.A N PHE 74.A O no hydrogen 2.914 N/A ARG 79.A N ARG 75.A O no hydrogen 3.120 N/A ASN 80.A N VAL 76.A O no hydrogen 2.915 N/A LEU 81.A N SER 77.A O no hydrogen 2.832 N/A LEU 82.A N LEU 78.A O no hydrogen 3.151 N/A GLY 83.A N ARG 79.A O no hydrogen 3.428 N/A TYR 84.A N ASN 80.A O no hydrogen 2.921 N/A TYR 85.A N LEU 81.A O no hydrogen 2.943 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.736 N/A ASN 86.A N GLY 83.A O no hydrogen 3.117 N/A GLN 87.A N LEU 82.A O no hydrogen 2.961 N/A GLN 87.A NE2 GLU 119.A OE2 no hydrogen 2.841 N/A HIS 93.A N SER 13.A O no hydrogen 3.166 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.575 N/A THR 94.A N GLU 119.A OE1 no hydrogen 3.308 N/A LEU 95.A N ALA 11.A O no hydrogen 2.951 N/A GLN 96.A N ALA 117.A O no hydrogen 2.742 N/A GLN 97.A N GLU 9.A O no hydrogen 2.843 N/A MET 98.A N GLN 115.A O no hydrogen 2.964 N/A SER 99.A N TYR 7.A O no hydrogen 3.150 N/A SER 99.A OG GLN 97.A OE1 no hydrogen 3.015 N/A GLY 100.A N TYR 113.A O no hydrogen 2.950 N/A CYS 101.A N MET 5.A O no hydrogen 3.130 N/A ASP 102.A N ARG 111.A O no hydrogen 2.695 N/A LEU 103.A N HIS 3.A O no hydrogen 2.784 N/A GLY 104.A N ARG 108.A O no hydrogen 3.177 N/A TRP 107.A N GLY 104.A O no hydrogen 2.798 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.764 N/A LEU 110.A N ASP 102.A O no hydrogen 2.671 N/A ARG 111.A N ASP 102.A O no hydrogen 3.306 N/A TYR 113.A N GLY 100.A O no hydrogen 2.708 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 3.285 N/A GLN 115.A N MET 98.A O no hydrogen 2.925 N/A PHE 116.A N ILE 124.A O no hydrogen 2.895 N/A ALA 117.A N GLN 96.A O no hydrogen 2.851 N/A TYR 118.A N ARG 121.A O no hydrogen 2.766 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.499 N/A GLU 119.A N THR 94.A O no hydrogen 2.868 N/A ARG 121.A N TYR 118.A O no hydrogen 2.838 N/A TYR 123.A N PHE 116.A O no hydrogen 2.976 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.783 N/A ILE 124.A N PHE 116.A O no hydrogen 3.439 N/A ALA 125.A N THR 134.A O no hydrogen 3.013 N/A LEU 126.A N LEU 114.A O no hydrogen 2.645 N/A ASN 127.A N THR 132.A O no hydrogen 2.838 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.690 N/A LEU 130.A N ASN 127.A O no hydrogen 2.668 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.727 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.948 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.218 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.678 N/A THR 134.A N ALA 125.A O no hydrogen 2.930 N/A GLN 141.A N MET 138.A O no hydrogen 3.084 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.783 N/A ARG 144.A N ALA 140.A O no hydrogen 3.033 N/A ARG 144.A NH2 TRP 133.A O no hydrogen 3.466 N/A ARG 145.A N GLN 141.A O no hydrogen 2.901 N/A LYS 146.A N ILE 142.A O no hydrogen 3.211 N/A TRP 147.A N THR 143.A O no hydrogen 2.885 N/A GLU 148.A N ARG 144.A O no hydrogen 2.810 N/A GLN 149.A N ARG 145.A O no hydrogen 2.777 N/A GLN 149.A NE2 ARG 145.A O no hydrogen 3.563 N/A SER 150.A OG LYS 146.A O no hydrogen 3.237 N/A SER 150.A OG TRP 147.A O no hydrogen 3.292 N/A GLY 151.A N GLU 148.A O no hydrogen 3.098 N/A ALA 152.A N TRP 147.A O no hydrogen 3.091 N/A GLU 154.A N GLY 151.A O no hydrogen 3.049 N/A HIS 155.A N ALA 152.A O no hydrogen 3.032 N/A TYR 156.A N ALA 152.A O no hydrogen 3.104 N/A LYS 157.A N ALA 153.A O no hydrogen 2.705 N/A ALA 158.A N GLU 154.A O no hydrogen 2.951 N/A TYR 159.A N HIS 155.A O no hydrogen 3.266 N/A LEU 160.A N TYR 156.A O no hydrogen 2.933 N/A GLU 161.A N LYS 157.A O no hydrogen 2.940 N/A CYS 164.A N TYR 159.A O no hydrogen 3.039 N/A GLU 166.A N GLY 162.A O no hydrogen 2.803 N/A TRP 167.A N GLU 163.A O no hydrogen 2.746 N/A LEU 168.A N CYS 164.A O no hydrogen 3.041 N/A HIS 169.A N VAL 165.A O no hydrogen 2.870 N/A HIS 169.A NE2 TRP 107.A O no hydrogen 2.820 N/A ARG 170.A N GLU 166.A O no hydrogen 3.209 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 3.510 N/A TYR 171.A N TRP 167.A O no hydrogen 2.747 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.466 N/A LEU 172.A N LEU 168.A O no hydrogen 2.753 N/A LYS 173.A N HIS 169.A O no hydrogen 3.062 N/A ASN 174.A N ARG 170.A O no hydrogen 2.901 N/A ASP 182.A N TYR 208.A O no hydrogen 2.914 N/A LYS 185.A N LEU 205.A O no hydrogen 2.892 N/A HIS 187.A N TRP 203.A O no hydrogen 3.118 N/A THR 189.A N ARG 201.A O no hydrogen 3.015 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.384 N/A HIS 191.A N THR 199.A O no hydrogen 2.996 N/A SER 194.A N GLU 197.A O no hydrogen 3.317 N/A VAL 198.A N VAL 246.A O no hydrogen 2.701 N/A THR 199.A N HIS 191.A O no hydrogen 2.687 N/A LEU 200.A N VAL 244.A O no hydrogen 2.962 N/A ARG 201.A N THR 189.A O no hydrogen 3.039 N/A CYS 202.A N ALA 242.A O no hydrogen 2.800 N/A TRP 203.A N HIS 187.A O no hydrogen 2.756 N/A ALA 204.A N LYS 240.A O no hydrogen 2.695 N/A LEU 205.A N LYS 185.A O no hydrogen 3.213 N/A TYR 208.A N ASP 182.A O no hydrogen 2.957 N/A THR 213.A N TYR 259.A O no hydrogen 3.065 N/A THR 215.A N ARG 257.A O no hydrogen 3.069 N/A TRP 216.A NE1 ALA 242.A O no hydrogen 2.960 N/A GLN 217.A N THR 255.A O no hydrogen 2.886 N/A LEU 218.A N GLU 221.A O no hydrogen 3.300 N/A GLU 226.A N SER 243.A O no hydrogen 2.768 N/A VAL 228.A N TRP 241.A O no hydrogen 3.322 N/A ARG 231.A N GLN 239.A O no hydrogen 2.934 N/A ARG 231.A NH1 GLN 239.A OE1 no hydrogen 2.896 N/A ALA 233.A N THR 237.A O no hydrogen 2.936 N/A THR 237.A N ASP 235.A OD1 no hydrogen 2.760 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.547 N/A THR 237.A OG1 ASP 235.A OD2 no hydrogen 3.522 N/A PHE 238.A N PHE 207.A O no hydrogen 2.848 N/A GLN 239.A N ARG 231.A O no hydrogen 2.770 N/A LYS 240.A N ALA 204.A O no hydrogen 3.105 N/A LYS 240.A NZ VAL 228.A O no hydrogen 2.869 N/A LYS 240.A NZ THR 230.A OG1 no hydrogen 3.172 N/A ALA 242.A N CYS 202.A O no hydrogen 2.981 N/A SER 243.A N GLU 226.A O no hydrogen 2.658 N/A VAL 244.A N LEU 200.A O no hydrogen 2.932 N/A VAL 246.A N VAL 198.A O no hydrogen 2.783 N/A LEU 248.A N GLY 196.A O no hydrogen 2.887 N/A GLY 249.A N GLU 251.A OE1 no hydrogen 2.366 N/A LYS 250.A N PRO 247.A O no hydrogen 3.301 N/A GLN 252.A NE2 TRP 271.A O no hydrogen 2.704 N/A TYR 254.A N GLU 251.A O no hydrogen 3.443 N/A THR 255.A N GLN 217.A O no hydrogen 3.080 N/A CYS 256.A N LEU 269.A O no hydrogen 2.713 N/A CYS 256.A SG THR 215.A O no hydrogen 3.750 N/A CYS 256.A SG ARG 257.A O no hydrogen 3.658 N/A ARG 257.A N THR 215.A O no hydrogen 2.903 N/A VAL 258.A N LEU 267.A O no hydrogen 3.060 N/A TYR 259.A N THR 213.A O no hydrogen 2.882 N/A HIS 260.A NE2 PRO 209.A O no hydrogen 2.880 N/A GLY 262.A N HIS 260.A ND1 no hydrogen 3.003 N/A LEU 263.A N HIS 260.A O no hydrogen 2.882 N/A LEU 267.A N VAL 258.A O no hydrogen 3.094 N/A LEU 269.A N CYS 256.A O no hydrogen 2.989 N/A