Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3she_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N VAL 71.A O no hydrogen 2.748 N/A LYS 3.A NZ ASP 70.A OD1 no hydrogen 2.994 N/A TYR 5.A OH ASP 10.A OD2 no hydrogen 2.571 N/A ASP 9.A N ALA 6.A O no hydrogen 2.969 N/A ASP 10.A N VAL 7.A O no hydrogen 2.983 N/A TYR 11.A N VAL 7.A O no hydrogen 2.838 N/A TYR 11.A OH ASP 70.A OD2 no hydrogen 3.030 N/A GLN 12.A N PHE 30.A O no hydrogen 2.846 N/A SER 14.A N GLU 28.A O no hydrogen 3.362 N/A GLN 16.A N SER 14.A OG no hydrogen 3.070 N/A LEU 18.A N VAL 26.A O no hydrogen 2.695 N/A GLY 21.A N GLY 24.A O no hydrogen 2.805 N/A ASN 23.A ND2 GLU 52.A OE2 no hydrogen 3.187 N/A GLY 24.A N GLY 21.A O no hydrogen 3.280 N/A VAL 26.A N GLY 19.A O no hydrogen 2.831 N/A LEU 27.A N LEU 40.A O no hydrogen 2.813 N/A GLU 28.A N GLN 16.A O no hydrogen 3.193 N/A CYS 29.A N CYS 38.A O no hydrogen 2.834 N/A CYS 29.A SG CYS 38.A O no hydrogen 3.671 N/A PHE 30.A N GLN 12.A O no hydrogen 2.955 N/A HIS 31.A N GLN 36.A O no hydrogen 3.007 N/A ARG 32.A N ASP 10.A O no hydrogen 2.923 N/A ARG 32.A NE THR 8.A O no hydrogen 2.764 N/A ARG 32.A NH2 THR 8.A O no hydrogen 2.878 N/A ARG 33.A N HIS 31.A ND1 no hydrogen 3.249 N/A THR 34.A N HIS 31.A ND1 no hydrogen 3.381 N/A CYS 38.A N CYS 29.A O no hydrogen 2.692 N/A CYS 38.A SG GLN 36.A O no hydrogen 3.712 N/A ALA 39.A N MET 86.A O no hydrogen 2.915 N/A LEU 40.A N LEU 27.A O no hydrogen 2.698 N/A LYS 41.A N ILE 84.A O no hydrogen 2.779 N/A LYS 41.A NZ GLU 52.A OE1 no hydrogen 2.712 N/A LEU 42.A N LYS 25.A O no hydrogen 3.338 N/A LEU 43.A N LEU 82.A O no hydrogen 2.758 N/A ASP 45.A N ARG 80.A O no hydrogen 3.052 N/A LYS 48.A NZ GLY 153.A O no hydrogen 2.649 N/A ALA 49.A N SER 46.A OG no hydrogen 3.113 N/A ARG 50.A N SER 46.A O no hydrogen 2.939 N/A ARG 50.A NH1 ASP 45.A OD1 no hydrogen 2.992 N/A ARG 50.A NH2 GLU 73.A OE1 no hydrogen 2.649 N/A GLN 51.A N PRO 47.A O no hydrogen 2.912 N/A GLU 52.A N LYS 48.A O no hydrogen 2.999 N/A VAL 53.A N ALA 49.A O no hydrogen 3.172 N/A ASP 54.A N ARG 50.A O no hydrogen 3.030 N/A HIS 55.A N GLN 51.A O no hydrogen 2.817 N/A HIS 56.A N GLU 52.A O no hydrogen 2.772 N/A HIS 56.A NE2 VAL 66.A O no hydrogen 2.985 N/A TRP 57.A N VAL 53.A O no hydrogen 2.873 N/A GLN 58.A N ASP 54.A O no hydrogen 3.106 N/A GLN 58.A NE2 GLU 157.A OE2 no hydrogen 2.693 N/A ALA 59.A N HIS 55.A O no hydrogen 2.992 N/A SER 60.A N HIS 56.A O no hydrogen 2.700 N/A GLY 62.A N ALA 59.A O no hydrogen 3.045 N/A HIS 64.A ND1 LEU 147.A O no hydrogen 2.657 N/A VAL 66.A N LEU 149.A O no hydrogen 3.048 N/A CYS 67.A N GLU 87.A OE1 no hydrogen 3.033 N/A CYS 67.A SG ILE 65.A O no hydrogen 3.993 N/A ILE 68.A N SER 60.A OG no hydrogen 2.809 N/A LEU 69.A N ILE 85.A O no hydrogen 2.650 N/A ASP 70.A N ILE 85.A O no hydrogen 3.443 N/A TYR 72.A N LEU 83.A O no hydrogen 2.909 N/A TYR 72.A OH ASP 10.A OD2 no hydrogen 2.733 N/A GLU 73.A N LYS 3.A O no hydrogen 2.706 N/A ASN 74.A N CYS 81.A O no hydrogen 2.931 N/A HIS 76.A N LYS 79.A O no hydrogen 2.817 N/A LYS 79.A N HIS 76.A O no hydrogen 3.162 N/A ARG 80.A NE GLU 73.A OE2 no hydrogen 3.076 N/A ARG 80.A NH2 GLU 73.A OE2 no hydrogen 3.455 N/A CYS 81.A N ASN 74.A O no hydrogen 2.792 N/A CYS 81.A SG LYS 79.A O no hydrogen 3.694 N/A LEU 82.A N LEU 43.A O no hydrogen 2.713 N/A LEU 83.A N TYR 72.A O no hydrogen 2.838 N/A ILE 84.A N LYS 41.A O no hydrogen 2.855 N/A ILE 85.A N ASP 70.A O no hydrogen 2.919 N/A MET 86.A N ALA 39.A O no hydrogen 2.726 N/A GLU 87.A N CYS 67.A O no hydrogen 3.134 N/A GLU 90.A N THR 139.A O no hydrogen 3.202 N/A GLY 91.A N TYR 138.A O no hydrogen 2.834 N/A LEU 94.A N LEU 136.A O no hydrogen 2.898 N/A ARG 97.A N GLU 93.A O no hydrogen 3.102 N/A ARG 97.A NH2 SER 140.A O no hydrogen 2.984 N/A ILE 98.A N LEU 94.A O no hydrogen 3.281 N/A GLN 99.A N PHE 95.A O no hydrogen 3.130 N/A GLU 100.A N SER 96.A O no hydrogen 3.135 N/A GLU 100.A N ARG 97.A O no hydrogen 3.268 N/A GLU 104.A N THR 235.A O no hydrogen 3.015 N/A ARG 105.A NH1 MET 230.A O no hydrogen 3.240 N/A GLU 106.A N THR 103.A OG1 no hydrogen 3.327 N/A ALA 107.A N THR 103.A O no hydrogen 3.238 N/A ALA 108.A N GLU 104.A O no hydrogen 2.997 N/A GLU 109.A N ARG 105.A O no hydrogen 3.023 N/A ILE 110.A N GLU 106.A O no hydrogen 3.060 N/A MET 111.A N ALA 107.A O no hydrogen 2.926 N/A ARG 112.A N ALA 108.A O no hydrogen 2.831 N/A ARG 112.A NH1 ILE 226.A O no hydrogen 2.968 N/A ASP 113.A N GLU 109.A O no hydrogen 2.965 N/A ILE 114.A N ILE 110.A O no hydrogen 2.928 N/A GLY 115.A N MET 111.A O no hydrogen 2.811 N/A THR 116.A N ARG 112.A O no hydrogen 2.937 N/A THR 116.A OG1 ASP 113.A O no hydrogen 2.549 N/A ALA 117.A N ASP 113.A O no hydrogen 3.319 N/A ILE 118.A N ILE 114.A O no hydrogen 3.095 N/A GLN 119.A N GLY 115.A O no hydrogen 2.727 N/A PHE 120.A N THR 116.A O no hydrogen 3.008 N/A LEU 121.A N ALA 117.A O no hydrogen 3.129 N/A HIS 122.A N ILE 118.A O no hydrogen 2.907 N/A HIS 122.A NE2 ASP 166.A OD1 no hydrogen 2.722 N/A SER 123.A N GLN 119.A O no hydrogen 2.994 N/A SER 123.A OG GLN 119.A O no hydrogen 2.935 N/A SER 123.A OG PHE 120.A O no hydrogen 2.855 N/A HIS 124.A N PHE 120.A O no hydrogen 3.127 N/A ASN 125.A N HIS 122.A O no hydrogen 2.854 N/A ILE 126.A N LEU 121.A O no hydrogen 2.841 N/A ALA 127.A N LYS 156.A O no hydrogen 2.979 N/A HIS 128.A N ASP 166.A OD1 no hydrogen 2.976 N/A HIS 128.A NE2 THR 150.A O no hydrogen 2.901 N/A ARG 129.A N ASP 166.A OD2 no hydrogen 2.845 N/A ARG 129.A NH1 PHE 154.A O no hydrogen 2.987 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.072 N/A LYS 132.A NZ ASP 130.A OD1 no hydrogen 3.554 N/A LYS 132.A NZ THR 258.A OG1 no hydrogen 2.813 N/A GLU 134.A N GLU 134.A OE2 no hydrogen 3.057 N/A ASN 135.A N LYS 132.A O no hydrogen 2.822 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.720 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 3.519 N/A LEU 136.A N PRO 133.A O no hydrogen 3.160 N/A LEU 137.A N LYS 148.A O no hydrogen 2.952 N/A TYR 138.A N GLY 92.A O no hydrogen 2.760 N/A THR 139.A N VAL 146.A O no hydrogen 3.108 N/A THR 139.A OG1 VAL 146.A O no hydrogen 3.568 N/A GLU 142.A N SER 140.A OG no hydrogen 3.329 N/A ALA 145.A N GLU 142.A O no hydrogen 3.368 N/A VAL 146.A N THR 139.A OG1 no hydrogen 2.941 N/A LYS 148.A N LEU 137.A O no hydrogen 2.785 N/A LYS 148.A NZ GLU 87.A OE1 no hydrogen 2.610 N/A LYS 148.A NZ GLU 87.A OE2 no hydrogen 3.335 N/A LEU 149.A N HIS 64.A O no hydrogen 2.972 N/A THR 150.A N ASN 135.A O no hydrogen 3.164 N/A GLY 153.A N ASP 151.A OD2 no hydrogen 3.447 N/A ALA 155.A N PHE 152.A O no hydrogen 3.264 N/A LYS 156.A N ALA 127.A O no hydrogen 2.960 N/A THR 158.A N ASN 125.A O no hydrogen 2.541 N/A THR 158.A OG1 ASN 125.A O no hydrogen 2.783 N/A THR 158.A OG1 GLU 159.A OE1.B no hydrogen 3.475 N/A THR 158.A OG1 GLU 159.A OE2.B no hydrogen 3.449 N/A TYR 161.A OH MET 264.A O no hydrogen 2.641 N/A LYS 163.A N GLU 159.A O no hydrogen 3.195 N/A LYS 163.A NZ HIS 122.A O no hydrogen 3.175 N/A LYS 163.A NZ ASN 125.A OD1 no hydrogen 3.247 N/A LYS 163.A NZ GLU 159.A OE1.B no hydrogen 3.456 N/A SER 164.A N LYS 160.A O no hydrogen 2.889 N/A SER 164.A OG LYS 160.A O no hydrogen 3.492 N/A SER 164.A OG TYR 161.A O no hydrogen 2.553 N/A CYS 165.A N TYR 161.A O no hydrogen 3.018 N/A CYS 165.A SG TYR 161.A O no hydrogen 3.363 N/A MET 167.A N LYS 163.A O no hydrogen 3.281 N/A TRP 168.A N SER 164.A O no hydrogen 3.073 N/A SER 169.A N CYS 165.A O no hydrogen 3.209 N/A SER 169.A OG VAL 131.A O no hydrogen 2.924 N/A SER 169.A OG CYS 165.A O no hydrogen 3.489 N/A LEU 170.A N ASP 166.A O no hydrogen 3.096 N/A GLY 171.A N MET 167.A O no hydrogen 3.246 N/A VAL 172.A N TRP 168.A O no hydrogen 3.034 N/A ILE 173.A N SER 169.A O no hydrogen 2.937 N/A MET 174.A N LEU 170.A O no hydrogen 2.897 N/A TYR 175.A N GLY 171.A O no hydrogen 2.966 N/A TYR 175.A OH GLY 186.A O no hydrogen 2.648 N/A ILE 176.A N VAL 172.A O no hydrogen 3.045 N/A LEU 177.A N ILE 173.A O no hydrogen 2.819 N/A LEU 178.A N MET 174.A O no hydrogen 3.064 N/A LEU 178.A N TYR 175.A O no hydrogen 3.207 N/A CYS 179.A N ILE 176.A O no hydrogen 3.459 N/A CYS 179.A SG TYR 175.A O no hydrogen 3.404 N/A CYS 179.A SG PHE 181.A O no hydrogen 3.294 N/A GLY 180.A N ILE 176.A O no hydrogen 2.856 N/A TRP 192.A N PRO 188.A O no hydrogen 3.238 N/A SER 193.A N PRO 190.A O no hydrogen 3.413 N/A SER 193.A OG PRO 190.A O no hydrogen 2.883 N/A SER 196.A N GLU 104.A OE2 no hydrogen 3.083 N/A SER 196.A OG GLU 104.A OE1 no hydrogen 2.492 N/A LYS 200.A N SER 196.A O no hydrogen 3.381 N/A LYS 200.A NZ TRP 192.A O no hydrogen 3.274 N/A GLN 201.A N GLU 197.A O no hydrogen 2.799 N/A LEU 202.A N ASP 198.A O no hydrogen 2.916 N/A ILE 203.A N ALA 199.A O no hydrogen 3.138 N/A ARG 204.A N LYS 200.A O no hydrogen 2.996 N/A LEU 205.A N GLN 201.A O no hydrogen 3.062 N/A LEU 206.A N LEU 202.A O no hydrogen 3.103 N/A LEU 206.A N ILE 203.A O no hydrogen 3.161 N/A LEU 207.A N ILE 203.A O no hydrogen 2.840 N/A THR 212.A N ASP 210.A OD2 no hydrogen 3.477 N/A THR 212.A OG1 ASP 210.A OD2 no hydrogen 3.194 N/A GLU 213.A N ASP 210.A O no hydrogen 3.072 N/A ARG 214.A N PRO 211.A O no hydrogen 3.299 N/A ARG 214.A NE LYS 208.A O no hydrogen 2.846 N/A ARG 214.A NH1 SER 164.A O no hydrogen 3.121 N/A ARG 214.A NH2 LYS 208.A O no hydrogen 2.891 N/A LEU 215.A N LEU 205.A O no hydrogen 3.165 N/A THR 216.A N GLN 219.A OE1 no hydrogen 2.946 N/A PHE 220.A N THR 216.A O no hydrogen 2.798 N/A MET 221.A N ILE 217.A O no hydrogen 2.771 N/A ASN 222.A N THR 218.A O no hydrogen 3.269 N/A HIS 223.A N PHE 220.A O no hydrogen 3.228 N/A TRP 225.A N HIS 223.A ND1 no hydrogen 3.212 N/A TRP 225.A NE1 GLU 104.A OE1 no hydrogen 2.795 N/A ILE 226.A N HIS 223.A O no hydrogen 2.787 N/A ASN 227.A N HIS 223.A O no hydrogen 2.689 N/A GLN 228.A N PRO 224.A O no hydrogen 2.667 N/A GLN 228.A NE2 ASN 227.A O no hydrogen 3.548 N/A SER 229.A N ILE 226.A O no hydrogen 3.198 N/A SER 229.A OG GLU 109.A OE1.B no hydrogen 2.675 N/A SER 229.A OG ILE 226.A O no hydrogen 3.404 N/A VAL 231.A N GLN 228.A O no hydrogen 3.169 N/A GLN 234.A N GLN 234.A OE1 no hydrogen 2.659 N/A THR 235.A OG1 GLU 194.A O no hydrogen 3.410 N/A LEU 237.A N PHE 102.A O no hydrogen 2.896 N/A THR 239.A OG1 LEU 177.A O no hydrogen 2.498 N/A VAL 242.A N HIS 238.A O no hydrogen 2.854 N/A LEU 243.A N THR 239.A O no hydrogen 2.861 N/A GLN 244.A N ALA 240.A O no hydrogen 3.224 N/A GLU 245.A N ARG 241.A O no hydrogen 2.889 N/A ASP 246.A N VAL 242.A O no hydrogen 2.895 N/A LYS 247.A N GLN 244.A O no hydrogen 3.374 N/A HIS 249.A N ASP 246.A O no hydrogen 3.122 N/A TRP 250.A N LYS 247.A O no hydrogen 3.263 N/A VAL 253.A N HIS 249.A O no hydrogen 3.255 N/A LYS 254.A N TRP 250.A O no hydrogen 3.078 N/A LYS 254.A NZ ASP 251.A OD2 no hydrogen 3.357 N/A GLU 255.A N ASP 251.A O no hydrogen 3.000 N/A GLU 256.A N GLU 252.A O no hydrogen 2.792 N/A MET 257.A N VAL 253.A O no hydrogen 3.009 N/A THR 258.A N LYS 254.A O no hydrogen 2.988 N/A THR 258.A OG1 LYS 254.A O no hydrogen 3.221 N/A SER 259.A N GLU 255.A O no hydrogen 3.014 N/A ALA 260.A N GLU 256.A O no hydrogen 3.032 N/A LEU 261.A N MET 257.A O no hydrogen 2.976 N/A ALA 262.A N THR 258.A O no hydrogen 2.951 N/A THR 263.A N SER 259.A O no hydrogen 3.186 N/A THR 263.A OG1 ALA 260.A O no hydrogen 3.010 N/A MET 264.A N ALA 260.A O no hydrogen 3.269 N/A ARG 265.A N LEU 261.A O no hydrogen 3.260 N/A ARG 265.A N ALA 262.A O no hydrogen 3.102 N/A ARG 265.A NH2 ARG 129.A O no hydrogen 2.750 N/A ARG 265.A NH2 ASP 130.A OD1 no hydrogen 3.298 N/A VAL 266.A N THR 263.A O no hydrogen 3.364 N/A