Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3are_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLU 98.A OE1 no hydrogen 3.538 N/A PHE 4.A N CYS 97.A O no hydrogen 3.264 N/A ARG 5.A N TRP 25.A O no hydrogen 2.889 N/A CYS 6.A N ALA 95.A O no hydrogen 2.600 N/A LEU 7.A N VAL 23.A O no hydrogen 2.760 N/A GLN 8.A N LEU 93.A O no hydrogen 2.818 N/A GLN 8.A NE2 TYR 67.A OH no hydrogen 2.704 N/A MET 9.A N ASP 21.A O no hydrogen 2.862 N/A SER 10.A N ILE 91.A O no hydrogen 2.845 N/A SER 10.A OG GLN 8.A OE1 no hydrogen 3.089 N/A SER 10.A OG THR 20.A OG1 no hydrogen 2.677 N/A SER 11.A N ARG 19.A O no hydrogen 2.965 N/A SER 11.A OG GLU 90.A OE1 no hydrogen 2.650 N/A SER 11.A OG GLU 90.A OE2 no hydrogen 3.199 N/A PHE 12.A N ILE 89.A O no hydrogen 2.757 N/A ALA 13.A N TRP 17.A O no hydrogen 3.312 N/A SER 16.A N ASN 14.A OD1 no hydrogen 2.962 N/A ARG 19.A N SER 11.A O no hydrogen 3.151 N/A ARG 19.A NE ASP 21.A OD2 no hydrogen 2.688 N/A ARG 19.A NH2 ASP 21.A OD1 no hydrogen 2.809 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 3.263 N/A ARG 19.A NH2 ASP 37.A OD1 no hydrogen 3.502 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.767 N/A THR 20.A OG1 SER 10.A OG no hydrogen 2.677 N/A ASP 21.A N MET 9.A O no hydrogen 3.042 N/A SER 22.A N TRP 34.A O no hydrogen 2.810 N/A VAL 23.A N LEU 7.A O no hydrogen 2.899 N/A VAL 24.A N HIS 32.A O no hydrogen 2.803 N/A TRP 25.A N ARG 5.A O no hydrogen 2.951 N/A LEU 26.A N LEU 29.A O no hydrogen 2.895 N/A GLY 27.A N THR 3.A O no hydrogen 3.089 N/A LEU 29.A N LEU 26.A O no hydrogen 2.944 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.679 N/A THR 31.A N VAL 24.A O no hydrogen 2.784 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.297 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.810 N/A HIS 32.A N VAL 24.A O no hydrogen 3.451 N/A HIS 32.A NE2 SER 48.A O no hydrogen 2.874 N/A ARG 33.A N SER 42.A O no hydrogen 3.162 N/A TRP 34.A N SER 22.A O no hydrogen 2.787 N/A ASN 36.A N ASP 21.A OD1 no hydrogen 3.110 N/A ASP 37.A N SER 35.A OG no hydrogen 3.200 N/A SER 38.A N SER 35.A O no hydrogen 3.146 N/A SER 38.A OG THR 40.A O no hydrogen 3.086 N/A THR 40.A N SER 38.A OG no hydrogen 3.368 N/A ILE 41.A N GLN 61.A OE1 no hydrogen 2.880 N/A SER 42.A N ARG 33.A O no hydrogen 2.878 N/A THR 44.A N THR 31.A O no hydrogen 2.820 N/A THR 44.A OG1 GLN 30.A O no hydrogen 2.870 N/A LYS 45.A NZ THR 44.A O no hydrogen 3.547 N/A LYS 45.A NZ GLU 235.A OE1 no hydrogen 2.809 N/A LYS 45.A NZ GLU 235.A OE2 no hydrogen 2.691 N/A TRP 47.A NE1 ASP 174.A OD2 no hydrogen 2.935 N/A SER 48.A N LYS 45.A O no hydrogen 3.378 N/A SER 48.A OG THR 31.A O no hydrogen 2.669 N/A SER 48.A OG LYS 45.A O no hydrogen 3.376 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 3.350 N/A GLY 50.A N TRP 47.A O no hydrogen 3.181 N/A LEU 52.A N GLN 49.A O no hydrogen 3.314 N/A SER 53.A N GLN 56.A OE1 no hydrogen 3.112 N/A SER 53.A OG GLN 56.A OE1 no hydrogen 3.381 N/A TRP 57.A N SER 53.A O no hydrogen 3.031 N/A TRP 57.A N ASN 54.A O no hydrogen 3.130 N/A GLU 58.A N ASN 54.A O no hydrogen 2.983 N/A LYS 59.A N GLN 55.A O no hydrogen 3.367 N/A GLN 61.A N TRP 57.A O no hydrogen 2.746 N/A HIS 62.A N GLU 58.A O no hydrogen 2.954 N/A MET 63.A N LYS 59.A O no hydrogen 3.031 N/A PHE 64.A N LEU 60.A O no hydrogen 3.180 N/A GLN 65.A N GLN 61.A O no hydrogen 2.730 N/A VAL 66.A N HIS 62.A O no hydrogen 2.941 N/A TYR 67.A N MET 63.A O no hydrogen 3.265 N/A ARG 68.A N PHE 64.A O no hydrogen 2.871 N/A ARG 68.A NH1 SER 35.A O no hydrogen 2.884 N/A ARG 68.A NH1 SER 38.A O no hydrogen 2.994 N/A ARG 68.A NH2 SER 38.A O no hydrogen 3.307 N/A SER 70.A N VAL 66.A O no hydrogen 3.226 N/A SER 70.A OG VAL 66.A O no hydrogen 2.766 N/A PHE 71.A N TYR 67.A O no hydrogen 2.827 N/A THR 72.A N ARG 68.A O no hydrogen 3.451 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.730 N/A ARG 73.A N VAL 69.A O no hydrogen 3.317 N/A ASP 74.A N SER 70.A O no hydrogen 2.780 N/A ILE 75.A N PHE 71.A O no hydrogen 2.971 N/A GLN 76.A N THR 72.A O no hydrogen 3.140 N/A GLU 77.A N ARG 73.A O no hydrogen 3.002 N/A LEU 78.A N ASP 74.A O no hydrogen 3.093 N/A VAL 79.A N ILE 75.A O no hydrogen 2.933 N/A LYS 80.A N GLN 76.A O no hydrogen 3.355 N/A LYS 80.A NZ GLU 77.A OE2 no hydrogen 3.210 N/A MET 81.A N GLU 77.A O no hydrogen 2.882 N/A MET 82.A N LEU 78.A O no hydrogen 2.853 N/A MET 82.A N VAL 79.A O no hydrogen 3.099 N/A SER 83.A N LYS 80.A O no hydrogen 3.267 N/A GLU 85.A N MET 82.A O no hydrogen 3.467 N/A ILE 89.A N PHE 12.A O no hydrogen 2.729 N/A GLU 90.A N GLN 113.A OE1 no hydrogen 2.698 N/A ILE 91.A N SER 10.A O no hydrogen 2.840 N/A GLN 92.A N ALA 111.A O no hydrogen 3.144 N/A LEU 93.A N GLN 8.A O no hydrogen 2.877 N/A SER 94.A N HIS 109.A O no hydrogen 2.883 N/A ALA 95.A N CYS 6.A O no hydrogen 3.039 N/A GLY 96.A N PHE 107.A O no hydrogen 3.088 N/A CYS 97.A N PHE 4.A O no hydrogen 3.248 N/A GLU 98.A N GLU 105.A O no hydrogen 3.082 N/A MET 99.A N TYR 2.A O no hydrogen 2.843 N/A SER 106.A OG LEU 156.A O no hydrogen 2.675 N/A PHE 107.A N GLY 96.A O no hydrogen 2.899 N/A HIS 109.A N SER 94.A O no hydrogen 2.707 N/A VAL 110.A N VAL 118.A O no hydrogen 2.745 N/A ALA 111.A N GLN 92.A O no hydrogen 3.031 N/A PHE 112.A N LYS 115.A O no hydrogen 2.816 N/A GLN 113.A N GLU 90.A O no hydrogen 2.892 N/A GLN 113.A NE2 PRO 88.A O no hydrogen 3.110 N/A LYS 115.A N PHE 112.A O no hydrogen 3.466 N/A TYR 116.A OH HIS 109.A ND1 no hydrogen 2.955 N/A VAL 117.A N VAL 110.A O no hydrogen 2.994 N/A VAL 118.A N VAL 110.A O no hydrogen 3.219 N/A ARG 119.A N GLN 126.A O no hydrogen 2.948 N/A PHE 120.A N LEU 108.A O no hydrogen 3.141 N/A TRP 121.A N SER 124.A O no hydrogen 2.951 N/A TRP 125.A N ASN 143.A OD1 no hydrogen 3.059 N/A GLN 126.A N ARG 119.A O no hydrogen 2.771 N/A GLN 126.A NE2 TRP 121.A O no hydrogen 3.392 N/A VAL 128.A N VAL 117.A O no hydrogen 2.831 N/A LEU 135.A N PRO 132.A O no hydrogen 3.383 N/A ASP 136.A N SER 133.A O no hydrogen 3.165 N/A ILE 139.A N LEU 135.A O no hydrogen 3.146 N/A LYS 140.A N ASP 136.A O no hydrogen 2.746 N/A VAL 141.A N LEU 137.A O no hydrogen 3.076 N/A LEU 142.A N PRO 138.A O no hydrogen 2.826 N/A ASN 143.A N ILE 139.A O no hydrogen 3.114 N/A ASN 143.A ND2 TRP 125.A O no hydrogen 3.559 N/A ALA 144.A N VAL 141.A O no hydrogen 3.241 N/A ASP 145.A N LEU 142.A O no hydrogen 3.374 N/A THR 148.A N ASP 145.A OD1 no hydrogen 3.217 N/A THR 148.A OG1 ASP 145.A OD2 no hydrogen 3.001 N/A SER 149.A N ASP 145.A O no hydrogen 3.078 N/A SER 149.A OG THR 123.A O no hydrogen 2.681 N/A ALA 150.A N GLN 146.A O no hydrogen 2.692 N/A THR 151.A N GLY 147.A O no hydrogen 2.936 N/A THR 151.A OG1 GLY 147.A O no hydrogen 2.720 N/A VAL 152.A N THR 148.A O no hydrogen 2.923 N/A GLN 153.A N SER 149.A O no hydrogen 3.286 N/A GLN 153.A NE2 SER 149.A O no hydrogen 3.128 N/A MET 154.A N ALA 150.A O no hydrogen 3.012 N/A LEU 155.A N THR 151.A O no hydrogen 2.943 N/A LEU 156.A N VAL 152.A O no hydrogen 2.852 N/A ASN 157.A N GLN 153.A O no hydrogen 2.915 N/A ASP 158.A N MET 154.A O no hydrogen 2.940 N/A THR 159.A N MET 154.A O no hydrogen 3.045 N/A THR 159.A OG1 MET 154.A O no hydrogen 3.228 N/A CYS 160.A N LEU 155.A O no hydrogen 2.925 N/A LEU 162.A N ASP 158.A O no hydrogen 3.337 N/A PHE 163.A N THR 159.A O no hydrogen 2.840 N/A VAL 164.A N CYS 160.A O no hydrogen 2.800 N/A ARG 165.A N PRO 161.A O no hydrogen 3.156 N/A LEU 167.A N PHE 163.A O no hydrogen 2.976 N/A LEU 168.A N VAL 164.A O no hydrogen 2.963 N/A ALA 170.A N GLY 166.A O no hydrogen 3.004 N/A GLY 171.A N LEU 167.A O no hydrogen 2.744 N/A LEU 175.A N GLY 171.A O no hydrogen 3.222 N/A GLU 176.A N LYS 172.A O no hydrogen 3.149 N/A GLN 178.A NE2 SER 260.A OG no hydrogen 2.647 N/A GLU 179.A N TYR 206.A O no hydrogen 2.771 N/A VAL 182.A N SER 203.A O no hydrogen 2.983 N/A TRP 184.A N HIS 201.A O no hydrogen 3.092 N/A SER 186.A N VAL 199.A O no hydrogen 2.877 N/A VAL 188.A N GLN 197.A O no hydrogen 2.828 N/A SER 190.A N HIS 195.A O no hydrogen 3.318 N/A SER 190.A OG ASP 244.A OD2 no hydrogen 2.898 N/A ALA 192.A N SER 190.A OG no hydrogen 3.010 N/A HIS 195.A N ALA 192.A O no hydrogen 3.292 N/A HIS 195.A ND1 ASP 244.A OD1 no hydrogen 2.818 N/A ARG 196.A N VAL 245.A O no hydrogen 2.790 N/A GLN 197.A N VAL 188.A O no hydrogen 2.660 N/A LEU 198.A N LEU 243.A O no hydrogen 2.766 N/A VAL 199.A N SER 186.A O no hydrogen 2.695 N/A CYS 200.A N ALA 241.A O no hydrogen 2.840 N/A HIS 201.A N TRP 184.A O no hydrogen 2.934 N/A HIS 201.A ND1 TYR 238.A OH no hydrogen 2.687 N/A VAL 202.A N LEU 239.A O no hydrogen 2.785 N/A SER 203.A N VAL 182.A O no hydrogen 2.884 N/A GLY 204.A N TRP 237.A O no hydrogen 2.907 N/A TYR 206.A N GLU 179.A O no hydrogen 3.319 N/A TRP 211.A N LYS 258.A O no hydrogen 2.919 N/A MET 213.A N ARG 256.A O no hydrogen 3.093 N/A TRP 214.A N THR 224.A OG1 no hydrogen 3.329 N/A TRP 214.A NE1 ALA 241.A O no hydrogen 3.111 N/A MET 215.A N ALA 254.A O no hydrogen 2.693 N/A ARG 216.A N GLN 219.A O no hydrogen 2.994 N/A GLN 219.A N ARG 216.A O no hydrogen 3.343 N/A GLN 219.A NE2.B GLU 220.A O no hydrogen 2.815 N/A GLN 221.A N TRP 214.A O no hydrogen 2.618 N/A GLN 221.A NE2 GLN 219.A O no hydrogen 3.327 N/A THR 224.A N GLN 221.A O no hydrogen 2.792 N/A THR 224.A OG1 GLN 221.A O no hydrogen 2.600 N/A HIS 225.A N THR 242.A O no hydrogen 3.033 N/A GLY 227.A N GLN 240.A O no hydrogen 2.983 N/A LEU 230.A N TYR 238.A O no hydrogen 2.798 N/A ASN 232.A N THR 236.A O no hydrogen 3.091 N/A GLU 235.A N ASN 232.A O no hydrogen 2.974 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 3.379 N/A THR 236.A OG1 ASP 234.A OD2 no hydrogen 2.855 N/A TRP 237.A N PHE 205.A O no hydrogen 2.997 N/A TYR 238.A N LEU 230.A O no hydrogen 2.798 N/A TYR 238.A OH HIS 201.A ND1 no hydrogen 2.687 N/A LEU 239.A N VAL 202.A O no hydrogen 2.823 N/A GLN 240.A NE2 TYR 238.A OH no hydrogen 3.012 N/A ALA 241.A N CYS 200.A O no hydrogen 3.027 N/A THR 242.A N HIS 225.A O no hydrogen 3.164 N/A LEU 243.A N LEU 198.A O no hydrogen 3.032 N/A VAL 245.A N ARG 196.A O no hydrogen 2.866 N/A GLU 246.A N GLU 249.A OE1 no hydrogen 3.362 N/A ALA 247.A N GLY 194.A O no hydrogen 3.239 N/A GLY 248.A N GLU 250.A OE1 no hydrogen 2.681 N/A GLU 249.A N GLU 246.A O no hydrogen 2.888 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.715 N/A LEU 253.A N GLU 250.A O no hydrogen 3.370 N/A ALA 254.A N MET 215.A O no hydrogen 2.846 N/A CYS 255.A N LEU 269.A O no hydrogen 2.741 N/A ARG 256.A N MET 213.A O no hydrogen 2.819 N/A ARG 256.A NE ASP 266.A OD2 no hydrogen 3.092 N/A VAL 257.A N ILE 267.A O no hydrogen 2.876 N/A LYS 258.A N TRP 211.A O no hydrogen 2.796 N/A LYS 258.A NZ ASP 266.A OD2 no hydrogen 2.820 N/A HIS 259.A ND1 SER 261.A OG no hydrogen 2.636 N/A HIS 259.A NE2 PRO 207.A O no hydrogen 2.992 N/A SER 261.A N HIS 259.A ND1 no hydrogen 3.247 N/A SER 261.A OG GLU 179.A O no hydrogen 2.948 N/A SER 261.A OG HIS 259.A ND1 no hydrogen 2.636 N/A LEU 262.A N HIS 259.A O no hydrogen 2.932 N/A ILE 267.A N VAL 257.A O no hydrogen 3.278 N/A LEU 269.A N CYS 255.A O no hydrogen 2.915 N/A TRP 271.A N LEU 253.A O no hydrogen 3.025 N/A SER 273.A N TYR 270.A O no hydrogen 3.478 N/A SER 273.A OG TYR 270.A O no hydrogen 3.383 N/A HIS 276.A N SER 273.A OG no hydrogen 3.002 N/A ILE 277.A N SER 273.A O no hydrogen 2.782 N/A LEU 278.A N LEU 274.A O no hydrogen 2.959 N/A ASP 279.A N HIS 275.A O no hydrogen 2.849 N/A ALA 280.A N HIS 276.A O no hydrogen 2.982 N/A GLN 281.A N ILE 277.A O no hydrogen 3.073 N/A LYS 282.A N ASP 279.A O no hydrogen 3.238 N/A MET 283.A N ALA 280.A O no hydrogen 3.132 N/A HIS 287.A ND1 TRP 285.A O no hydrogen 2.875 N/A HIS 290.A N HIS 287.A O no hydrogen 2.951 N/A HIS 290.A ND1 HIS 287.A O no hydrogen 2.740 N/A