Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 3.265 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.885 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.801 N/A MET 5.A N CYS 101.A O no hydrogen 3.041 N/A ARG 6.A N TYR 27.A O no hydrogen 2.995 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.099 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.623 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 3.094 N/A TYR 7.A N SER 99.A O no hydrogen 2.747 N/A PHE 8.A N VAL 25.A O no hydrogen 2.860 N/A GLU 9.A N GLN 97.A O no hydrogen 2.698 N/A THR 10.A N ILE 23.A O no hydrogen 2.697 N/A ALA 11.A N LEU 95.A O no hydrogen 2.843 N/A VAL 12.A N ARG 21.A O no hydrogen 3.080 N/A SER 13.A N HIS 93.A O no hydrogen 2.953 N/A SER 13.A OG HIS 93.A O no hydrogen 3.472 N/A ARG 21.A N VAL 12.A O no hydrogen 2.881 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.204 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.449 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.649 N/A TYR 22.A N SER 38.A OG no hydrogen 3.016 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.540 N/A ILE 23.A N THR 10.A O no hydrogen 2.774 N/A SER 24.A N PHE 36.A O no hydrogen 3.045 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.704 N/A VAL 25.A N PHE 8.A O no hydrogen 3.100 N/A GLY 26.A N VAL 34.A O no hydrogen 2.981 N/A TYR 27.A N ARG 6.A O no hydrogen 2.643 N/A VAL 28.A N LYS 31.A O no hydrogen 2.965 N/A ASP 29.A N SER 4.A O no hydrogen 2.865 N/A LYS 31.A N VAL 28.A O no hydrogen 2.895 N/A PHE 33.A N GLY 26.A O no hydrogen 3.036 N/A ARG 35.A N GLU 46.A O no hydrogen 3.201 N/A ARG 35.A NH1 GLU 32.A OE2 no hydrogen 3.042 N/A PHE 36.A N SER 24.A O no hydrogen 2.913 N/A SER 38.A N TYR 22.A O no hydrogen 3.088 N/A SER 38.A OG TYR 22.A O no hydrogen 3.470 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.089 N/A ALA 40.A N ASP 37.A O no hydrogen 3.181 N/A ASN 42.A ND2 ASN 42.A O no hydrogen 2.868 N/A ARG 44.A NH1 GLU 61.A OE1 no hydrogen 3.467 N/A ARG 44.A NH2 GLU 61.A OE1 no hydrogen 3.537 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.145 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.704 N/A GLU 46.A N ARG 35.A O no hydrogen 2.891 N/A ARG 48.A N PHE 33.A O no hydrogen 3.040 N/A MET 52.A N ALA 49.A O no hydrogen 3.337 N/A GLU 53.A N PRO 50.A O no hydrogen 3.297 N/A GLU 55.A N MET 52.A O no hydrogen 3.100 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.434 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.827 N/A GLU 61.A N PRO 57.A O no hydrogen 2.899 N/A ARG 62.A N GLU 58.A O no hydrogen 2.983 N/A GLU 63.A N TYR 59.A O no hydrogen 2.953 N/A THR 64.A N TRP 60.A O no hydrogen 2.961 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.738 N/A GLN 65.A N GLU 61.A O no hydrogen 3.036 N/A LYS 66.A N ARG 62.A O no hydrogen 3.099 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 3.326 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.736 N/A ALA 67.A N GLU 63.A O no hydrogen 2.930 N/A LYS 68.A N THR 64.A O no hydrogen 2.959 N/A GLY 69.A N GLN 65.A O no hydrogen 3.137 N/A GLN 70.A N LYS 66.A O no hydrogen 2.904 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 2.681 N/A GLN 70.A NE2 GLU 9.A OE2 no hydrogen 3.148 N/A GLU 71.A N ALA 67.A O no hydrogen 3.002 N/A GLN 72.A N LYS 68.A O no hydrogen 3.276 N/A TRP 73.A N GLY 69.A O no hydrogen 2.920 N/A PHE 74.A N GLN 70.A O no hydrogen 2.764 N/A ARG 75.A N GLU 71.A O no hydrogen 2.944 N/A VAL 76.A N GLN 72.A O no hydrogen 3.124 N/A SER 77.A N TRP 73.A O no hydrogen 2.948 N/A SER 77.A OG TRP 73.A O no hydrogen 3.046 N/A LEU 78.A N PHE 74.A O no hydrogen 2.935 N/A ARG 79.A N ARG 75.A O no hydrogen 3.194 N/A ASN 80.A N VAL 76.A O no hydrogen 2.990 N/A LEU 81.A N SER 77.A O no hydrogen 2.827 N/A LEU 82.A N LEU 78.A O no hydrogen 3.100 N/A GLY 83.A N ARG 79.A O no hydrogen 3.426 N/A TYR 84.A N ASN 80.A O no hydrogen 2.889 N/A TYR 85.A N LEU 81.A O no hydrogen 2.988 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.867 N/A ASN 86.A N GLY 83.A O no hydrogen 3.119 N/A GLN 87.A N LEU 82.A O no hydrogen 3.014 N/A GLN 87.A NE2 GLU 119.A OE2 no hydrogen 2.738 N/A HIS 93.A N SER 13.A O no hydrogen 3.062 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.795 N/A THR 94.A N GLU 119.A OE1 no hydrogen 3.078 N/A LEU 95.A N ALA 11.A O no hydrogen 2.893 N/A GLN 96.A N ALA 117.A O no hydrogen 2.941 N/A GLN 97.A N GLU 9.A O no hydrogen 2.744 N/A MET 98.A N GLN 115.A O no hydrogen 3.064 N/A SER 99.A N TYR 7.A O no hydrogen 3.021 N/A SER 99.A OG GLN 97.A OE1 no hydrogen 3.018 N/A GLY 100.A N TYR 113.A O no hydrogen 3.112 N/A CYS 101.A N MET 5.A O no hydrogen 3.088 N/A ASP 102.A N ARG 111.A O no hydrogen 2.755 N/A LEU 103.A N HIS 3.A O no hydrogen 2.788 N/A GLY 104.A N ARG 108.A O no hydrogen 2.982 N/A TRP 107.A N GLY 104.A O no hydrogen 2.871 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.802 N/A LEU 110.A N ASP 102.A O no hydrogen 2.640 N/A ARG 111.A N ASP 102.A O no hydrogen 3.377 N/A TYR 113.A N GLY 100.A O no hydrogen 2.705 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 3.140 N/A GLN 115.A N MET 98.A O no hydrogen 3.076 N/A PHE 116.A N ILE 124.A O no hydrogen 2.697 N/A ALA 117.A N GLN 96.A O no hydrogen 2.958 N/A TYR 118.A N ARG 121.A O no hydrogen 2.796 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.515 N/A GLU 119.A N THR 94.A O no hydrogen 2.947 N/A ARG 121.A N TYR 118.A O no hydrogen 2.809 N/A TYR 123.A N PHE 116.A O no hydrogen 2.849 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.754 N/A ILE 124.A N PHE 116.A O no hydrogen 3.391 N/A ALA 125.A N THR 134.A O no hydrogen 2.941 N/A LEU 126.A N LEU 114.A O no hydrogen 2.728 N/A ASN 127.A N THR 132.A O no hydrogen 2.911 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.652 N/A LEU 130.A N ASN 127.A O no hydrogen 2.812 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.857 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.952 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.305 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.949 N/A THR 134.A N ALA 125.A O no hydrogen 2.935 N/A GLN 141.A N MET 138.A O no hydrogen 3.078 N/A GLN 141.A NE2 ALA 135.A O no hydrogen 2.729 N/A GLN 141.A NE2 ALA 136.A O no hydrogen 3.656 N/A GLN 141.A NE2 ASP 137.A O no hydrogen 3.001 N/A ILE 142.A N ALA 139.A O no hydrogen 3.417 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.754 N/A ARG 144.A N ALA 140.A O no hydrogen 2.996 N/A ARG 145.A N GLN 141.A O no hydrogen 2.835 N/A LYS 146.A N ILE 142.A O no hydrogen 3.138 N/A TRP 147.A N THR 143.A O no hydrogen 2.971 N/A GLU 148.A N ARG 144.A O no hydrogen 2.934 N/A GLN 149.A N ARG 145.A O no hydrogen 3.031 N/A SER 150.A OG LYS 146.A O no hydrogen 3.160 N/A SER 150.A OG TRP 147.A O no hydrogen 3.477 N/A GLY 151.A N TRP 147.A O no hydrogen 3.206 N/A ALA 152.A N TRP 147.A O no hydrogen 3.216 N/A GLU 154.A N GLY 151.A O no hydrogen 3.073 N/A HIS 155.A N ALA 152.A O no hydrogen 3.124 N/A TYR 156.A N ALA 152.A O no hydrogen 3.235 N/A LYS 157.A N ALA 153.A O no hydrogen 2.835 N/A LYS 157.A NZ GLU 161.A OE1 no hydrogen 3.044 N/A LYS 157.A NZ GLU 161.A OE2 no hydrogen 3.548 N/A ALA 158.A N GLU 154.A O no hydrogen 3.036 N/A TYR 159.A N HIS 155.A O no hydrogen 3.361 N/A LEU 160.A N TYR 156.A O no hydrogen 2.979 N/A GLU 161.A N LYS 157.A O no hydrogen 2.848 N/A GLY 162.A N TYR 159.A O no hydrogen 3.117 N/A CYS 164.A N TYR 159.A O no hydrogen 2.882 N/A GLU 166.A N GLY 162.A O no hydrogen 2.750 N/A TRP 167.A N GLU 163.A O no hydrogen 2.866 N/A LEU 168.A N CYS 164.A O no hydrogen 3.303 N/A HIS 169.A N VAL 165.A O no hydrogen 2.989 N/A HIS 169.A NE2 TRP 107.A O no hydrogen 3.129 N/A ARG 170.A N GLU 166.A O no hydrogen 3.396 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 3.117 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 3.036 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 3.246 N/A TYR 171.A N TRP 167.A O no hydrogen 2.901 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.434 N/A LEU 172.A N LEU 168.A O no hydrogen 2.997 N/A LYS 173.A N HIS 169.A O no hydrogen 2.972 N/A ASN 174.A N ARG 170.A O no hydrogen 3.111 N/A GLY 175.A N TYR 171.A O no hydrogen 2.738 N/A ASN 176.A N LYS 173.A O no hydrogen 3.411 N/A ASP 183.A N TYR 206.A O no hydrogen 2.907 N/A LYS 186.A N LEU 203.A O no hydrogen 3.092 N/A HIS 188.A N TRP 201.A O no hydrogen 3.338 N/A THR 190.A N ARG 199.A O no hydrogen 3.119 N/A HIS 192.A N THR 197.A O no hydrogen 3.077 N/A ARG 194.A N HIS 192.A O no hydrogen 3.055 N/A VAL 196.A N VAL 240.A O no hydrogen 2.779 N/A THR 197.A N HIS 192.A O no hydrogen 2.615 N/A LEU 198.A N VAL 238.A O no hydrogen 2.855 N/A ARG 199.A N THR 190.A O no hydrogen 3.329 N/A CYS 200.A N ALA 236.A O no hydrogen 2.662 N/A TRP 201.A N HIS 188.A O no hydrogen 2.861 N/A TRP 201.A NE1 THR 190.A OG1 no hydrogen 3.236 N/A ALA 202.A N LYS 234.A O no hydrogen 2.751 N/A TYR 206.A N ASP 183.A O no hydrogen 2.900 N/A THR 211.A N TYR 253.A O no hydrogen 3.104 N/A THR 213.A N ARG 251.A O no hydrogen 3.158 N/A TRP 214.A NE1 ALA 236.A O no hydrogen 3.077 N/A GLN 215.A N THR 249.A O no hydrogen 2.880 N/A GLU 220.A N SER 237.A O no hydrogen 2.898 N/A VAL 222.A N TRP 235.A O no hydrogen 3.473 N/A ARG 225.A N GLN 233.A O no hydrogen 3.092 N/A ARG 225.A NH1 GLN 233.A OE1 no hydrogen 3.245 N/A ALA 227.A N THR 231.A O no hydrogen 2.703 N/A THR 231.A N ASP 229.A OD1 no hydrogen 2.998 N/A THR 231.A OG1 ASP 229.A OD1 no hydrogen 2.528 N/A PHE 232.A N PHE 205.A O no hydrogen 2.930 N/A GLN 233.A N ARG 225.A O no hydrogen 2.760 N/A LYS 234.A N ALA 202.A O no hydrogen 3.104 N/A LYS 234.A NZ VAL 222.A O no hydrogen 2.746 N/A LYS 234.A NZ THR 224.A OG1 no hydrogen 3.292 N/A ALA 236.A N CYS 200.A O no hydrogen 3.024 N/A SER 237.A N GLU 220.A O no hydrogen 2.619 N/A SER 237.A OG GLU 220.A O no hydrogen 3.286 N/A VAL 238.A N LEU 198.A O no hydrogen 2.900 N/A VAL 240.A N VAL 196.A O no hydrogen 2.705 N/A GLY 243.A N GLU 245.A OE1 no hydrogen 2.860 N/A LYS 244.A N PRO 241.A O no hydrogen 3.120 N/A GLN 246.A NE2 TRP 265.A O no hydrogen 3.385 N/A CYS 250.A N LEU 263.A O no hydrogen 2.689 N/A ARG 251.A N THR 213.A O no hydrogen 2.985 N/A VAL 252.A N LEU 261.A O no hydrogen 3.250 N/A TYR 253.A N THR 211.A O no hydrogen 2.935 N/A HIS 254.A NE2 PRO 207.A O no hydrogen 2.829 N/A GLY 256.A N HIS 254.A ND1 no hydrogen 3.061 N/A LEU 257.A N HIS 254.A O no hydrogen 2.990 N/A LEU 261.A N VAL 252.A O no hydrogen 3.055 N/A LEU 263.A N CYS 250.A O no hydrogen 3.044 N/A