Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sim_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N THR 27.A OG1 no hydrogen 3.197 N/A PHE 3.A N LYS 28.A O no hydrogen 3.030 N/A VAL 4.A N ILE 250.A O no hydrogen 3.036 N/A GLU 5.A N GLN 30.A O no hydrogen 2.981 N/A TYR 6.A N VAL 252.A O no hydrogen 3.013 N/A TYR 6.A OH ASP 123.A OD2 no hydrogen 3.240 N/A TYR 6.A OH SER 160.A OG no hydrogen 2.914 N/A ILE 7.A N VAL 32.A O no hydrogen 3.010 N/A GLY 8.A N ASP 256.A OD1 no hydrogen 2.697 N/A SER 13.A OG ASP 256.A OD2 no hydrogen 2.730 N/A VAL 15.A N SER 13.A OG no hydrogen 2.966 N/A LYS 16.A N ASP 19.A OD2 no hydrogen 3.065 N/A ASP 19.A N LYS 16.A O no hydrogen 2.998 N/A VAL 20.A N PHE 17.A O no hydrogen 3.054 N/A ILE 26.A N ASN 23.A O no hydrogen 3.182 N/A THR 27.A N THR 1.A OG1 no hydrogen 3.207 N/A LYS 28.A N THR 1.A O no hydrogen 2.873 N/A PHE 29.A N ASN 75.A O no hydrogen 3.077 N/A GLN 30.A N PHE 3.A O no hydrogen 2.932 N/A GLN 30.A NE2 HIS 182.A NE2 no hydrogen 3.639 N/A PHE 31.A N ARG 77.A O no hydrogen 3.056 N/A VAL 32.A N GLU 5.A O no hydrogen 2.910 N/A LEU 33.A N ALA 79.A O no hydrogen 2.905 N/A SER 34.A N ILE 7.A O no hydrogen 2.841 N/A SER 34.A OG ILE 7.A O no hydrogen 3.434 N/A SER 34.A OG VAL 32.A O no hydrogen 3.248 N/A ALA 36.A N SER 81.A O no hydrogen 3.105 N/A VAL 37.A N ASN 53.A O no hydrogen 3.072 N/A TYR 39.A OH GLN 93.A O no hydrogen 3.230 N/A THR 40.A N THR 46.A O no hydrogen 2.901 N/A THR 40.A OG1 SER 42.A O no hydrogen 3.451 N/A THR 40.A OG1 PRO 44.A O no hydrogen 3.445 N/A HIS 45.A ND1 THR 40.A O no hydrogen 2.753 N/A THR 46.A N THR 40.A OG1 no hydrogen 3.038 N/A THR 48.A N ASP 38.A O no hydrogen 3.000 N/A THR 48.A OG1 LYS 51.A O no hydrogen 2.910 N/A ASN 49.A ND2 SER 101.A OG no hydrogen 2.969 N/A GLY 50.A N ASP 38.A OD2 no hydrogen 3.067 N/A LYS 51.A N THR 48.A O no hydrogen 3.460 N/A LYS 51.A NZ ASN 105.A OD1 no hydrogen 3.224 N/A PHE 52.A N SER 109.A OG no hydrogen 3.141 N/A ASN 53.A N VAL 37.A O no hydrogen 2.974 N/A ASN 53.A ND2 TYR 39.A O no hydrogen 3.093 N/A PHE 55.A N PHE 35.A O no hydrogen 2.874 N/A TRP 56.A NE1 LEU 61.A O no hydrogen 3.174 N/A SER 59.A N ASP 57.A OD1 no hydrogen 3.026 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 3.001 N/A ILE 60.A N ASP 57.A O no hydrogen 3.052 N/A LEU 61.A N ASP 57.A O no hydrogen 2.928 N/A GLY 62.A N GLN 65.A OE1 no hydrogen 2.969 N/A ILE 66.A N GLY 62.A O no hydrogen 3.003 N/A SER 67.A N PRO 63.A O no hydrogen 3.177 N/A SER 67.A OG ASN 118.A OD1 no hydrogen 3.467 N/A ALA 68.A N ASP 64.A O no hydrogen 3.023 N/A ILE 69.A N GLN 65.A O no hydrogen 2.933 N/A LYS 70.A N ILE 66.A O no hydrogen 3.141 N/A LYS 70.A NZ ASN 118.A O no hydrogen 2.970 N/A LYS 70.A NZ ASP 120.A OD2 no hydrogen 3.374 N/A SER 71.A N SER 67.A O no hydrogen 3.086 N/A SER 72.A N ALA 68.A O no hydrogen 3.099 N/A SER 72.A OG ALA 68.A O no hydrogen 3.367 N/A HIS 73.A N ILE 69.A O no hydrogen 2.997 N/A ASN 75.A ND2 ASN 23.A O no hydrogen 3.340 N/A ASN 75.A ND2 ILE 26.A O no hydrogen 3.088 N/A VAL 76.A N HIS 73.A O no hydrogen 3.060 N/A ARG 77.A N PHE 29.A O no hydrogen 2.998 N/A ARG 77.A NH2 VAL 76.A O no hydrogen 3.513 N/A VAL 78.A N ASP 120.A OD2 no hydrogen 3.054 N/A ALA 79.A N PHE 31.A O no hydrogen 2.940 N/A VAL 80.A N GLY 121.A O no hydrogen 3.185 N/A SER 81.A N LEU 33.A O no hydrogen 2.939 N/A SER 81.A OG ASP 123.A OD2 no hydrogen 2.898 N/A LEU 82.A N ASP 123.A O no hydrogen 2.959 N/A GLY 83.A N ALA 36.A O no hydrogen 3.118 N/A GLY 84.A N ASP 125.A O no hydrogen 2.877 N/A VAL 87.A N ASN 90.A O no hydrogen 2.941 N/A ASN 90.A N VAL 87.A O no hydrogen 2.901 N/A ASN 90.A ND2 VAL 87.A O no hydrogen 3.599 N/A VAL 92.A N ALA 85.A O no hydrogen 3.077 N/A GLN 93.A N TYR 39.A OH no hydrogen 3.146 N/A PHE 94.A N HIS 128.A O no hydrogen 3.095 N/A GLN 95.A NE2 TYR 39.A OH no hydrogen 3.131 N/A ALA 97.A N ASN 49.A OD1 no hydrogen 2.914 N/A SER 98.A OG SER 101.A OG no hydrogen 2.712 N/A SER 101.A N SER 98.A OG no hydrogen 3.109 N/A SER 101.A OG SER 98.A O no hydrogen 3.431 N/A SER 101.A OG SER 98.A OG no hydrogen 2.712 N/A TRP 102.A N SER 98.A O no hydrogen 3.119 N/A TRP 102.A NE1 ASP 38.A OD2 no hydrogen 3.067 N/A VAL 103.A N VAL 99.A O no hydrogen 3.086 N/A SER 104.A N ASP 100.A O no hydrogen 3.161 N/A ASN 105.A N SER 101.A O no hydrogen 3.223 N/A ASN 105.A ND2 ASN 49.A O no hydrogen 3.071 N/A ALA 106.A N TRP 102.A O no hydrogen 2.931 N/A VAL 107.A N VAL 103.A O no hydrogen 2.961 N/A THR 108.A N SER 104.A O no hydrogen 3.215 N/A THR 108.A OG1 SER 104.A O no hydrogen 3.195 N/A SER 109.A N ASN 105.A O no hydrogen 3.082 N/A SER 109.A OG GLY 50.A O no hydrogen 3.275 N/A SER 109.A OG ASN 105.A O no hydrogen 2.797 N/A SER 109.A OG ALA 106.A O no hydrogen 3.458 N/A LEU 110.A N ALA 106.A O no hydrogen 2.981 N/A THR 111.A N VAL 107.A O no hydrogen 3.088 N/A THR 111.A OG1 VAL 107.A O no hydrogen 2.969 N/A ARG 112.A N THR 108.A O no hydrogen 3.251 N/A ILE 113.A N SER 109.A O no hydrogen 3.201 N/A ILE 114.A N LEU 110.A O no hydrogen 2.819 N/A GLN 115.A N THR 111.A O no hydrogen 3.049 N/A ARG 116.A N ARG 112.A O no hydrogen 3.034 N/A TYR 117.A N ILE 113.A O no hydrogen 2.988 N/A ASN 118.A N GLN 115.A O no hydrogen 3.291 N/A LEU 119.A N ILE 114.A O no hydrogen 3.050 N/A ASP 120.A N VAL 78.A O no hydrogen 2.908 N/A ILE 122.A N PHE 156.A O no hydrogen 3.266 N/A ASP 123.A N VAL 80.A O no hydrogen 2.836 N/A ILE 124.A N SER 158.A O no hydrogen 2.869 N/A ASP 125.A N LEU 82.A O no hydrogen 2.934 N/A TYR 126.A OH ASP 38.A OD1 no hydrogen 2.795 N/A THR 132.A N PHE 129.A O no hydrogen 3.286 N/A THR 132.A OG1 ASP 133.A O no hydrogen 3.566 N/A LYS 134.A NZ GLU 167.A OE2 no hydrogen 2.891 N/A THR 136.A N ASP 133.A OD1 no hydrogen 3.078 N/A THR 136.A OG1 ASP 133.A OD1 no hydrogen 3.315 N/A THR 136.A OG1 ASP 133.A OD2 no hydrogen 2.899 N/A PHE 137.A N ASP 133.A O no hydrogen 3.231 N/A ALA 138.A N LYS 134.A O no hydrogen 2.987 N/A GLU 139.A N ASN 135.A O no hydrogen 2.971 N/A CYS 140.A N THR 136.A O no hydrogen 3.054 N/A CYS 140.A SG THR 136.A O no hydrogen 3.371 N/A ILE 141.A N PHE 137.A O no hydrogen 3.142 N/A GLY 142.A N ALA 138.A O no hydrogen 2.890 N/A ARG 143.A N GLU 139.A O no hydrogen 2.984 N/A ARG 143.A NH1 ASP 100.A OD1 no hydrogen 3.061 N/A ARG 143.A NH2 ASP 100.A OD1 no hydrogen 2.811 N/A LEU 144.A N CYS 140.A O no hydrogen 3.061 N/A ILE 145.A N ILE 141.A O no hydrogen 3.041 N/A THR 146.A N GLY 142.A O no hydrogen 3.137 N/A THR 146.A OG1 GLY 142.A O no hydrogen 3.061 N/A THR 147.A N ARG 143.A O no hydrogen 2.974 N/A THR 147.A OG1 ARG 143.A O no hydrogen 3.043 N/A LEU 148.A N LEU 144.A O no hydrogen 3.112 N/A LYS 149.A N ILE 145.A O no hydrogen 3.032 N/A LYS 149.A NZ ALA 179.A O no hydrogen 2.819 N/A LYS 150.A N THR 146.A O no hydrogen 3.023 N/A ASN 151.A N THR 147.A O no hydrogen 3.025 N/A GLY 152.A N LYS 149.A O no hydrogen 3.229 N/A VAL 153.A N LEU 148.A O no hydrogen 3.045 N/A SER 155.A N ASP 120.A O no hydrogen 2.958 N/A PHE 156.A N ASP 120.A O no hydrogen 3.482 N/A SER 158.A N ILE 122.A O no hydrogen 3.118 N/A SER 158.A OG ASP 123.A OD1 no hydrogen 2.999 N/A ILE 159.A N HIS 182.A O no hydrogen 3.425 N/A SER 160.A N ILE 124.A O no hydrogen 3.087 N/A SER 160.A OG TYR 6.A OH no hydrogen 2.914 N/A SER 160.A OG ASP 123.A OD1 no hydrogen 2.715 N/A SER 160.A OG ASP 123.A OD2 no hydrogen 3.085 N/A VAL 165.A N PHE 162.A O no hydrogen 3.029 N/A ASP 166.A N PRO 163.A O no hydrogen 3.110 N/A TYR 169.A N VAL 165.A O no hydrogen 3.379 N/A TYR 169.A OH TYR 126.A O no hydrogen 2.766 N/A LEU 170.A N ASP 166.A O no hydrogen 2.889 N/A ALA 171.A N GLU 167.A O no hydrogen 3.302 N/A LEU 172.A N TYR 168.A O no hydrogen 3.270 N/A PHE 173.A N TYR 169.A O no hydrogen 2.893 N/A ASN 174.A N LEU 170.A O no hydrogen 2.904 N/A GLU 175.A N ALA 171.A O no hydrogen 3.093 N/A TYR 176.A N LEU 172.A O no hydrogen 2.986 N/A ALA 179.A N TYR 176.A O no hydrogen 2.971 N/A ASN 181.A N ALA 157.A O no hydrogen 2.852 N/A ASN 181.A ND2 ALA 157.A O no hydrogen 3.578 N/A HIS 182.A ND1 ASN 184.A OD1 no hydrogen 3.227 N/A ILE 183.A N ASN 214.A O no hydrogen 2.909 N/A ASN 184.A N ILE 159.A O no hydrogen 2.919 N/A ASN 184.A ND2 TYR 6.A OH no hydrogen 3.209 N/A TYR 185.A OH ASP 166.A OD1 no hydrogen 3.239 N/A TYR 185.A OH ASP 166.A OD2 no hydrogen 2.929 N/A GLN 186.A N PRO 161.A O no hydrogen 3.041 N/A PHE 187.A N SER 218.A OG no hydrogen 3.248 N/A ALA 189.A N GLN 186.A O no hydrogen 3.118 N/A TYR 190.A N PHE 187.A O no hydrogen 3.262 N/A THR 194.A N ASP 191.A O no hydrogen 3.215 N/A THR 194.A OG1 ASP 191.A O no hydrogen 2.846 N/A LYS 198.A N SER 195.A OG no hydrogen 3.257 N/A PHE 199.A N SER 195.A O no hydrogen 2.979 N/A LEU 200.A N VAL 196.A O no hydrogen 3.220 N/A GLY 201.A N ASP 197.A O no hydrogen 3.099 N/A TYR 202.A N LYS 198.A O no hydrogen 2.818 N/A TYR 203.A N PHE 199.A O no hydrogen 2.907 N/A TYR 203.A OH VAL 215.A O no hydrogen 3.239 N/A ASN 204.A N LEU 200.A O no hydrogen 3.064 N/A ASN 205.A N GLY 201.A O no hydrogen 3.029 N/A ALA 206.A N TYR 202.A O no hydrogen 3.014 N/A ALA 207.A N TYR 203.A O no hydrogen 3.051 N/A SER 208.A N ASN 204.A O no hydrogen 3.156 N/A SER 208.A OG.A ASN 204.A O no hydrogen 3.001 N/A LYS 209.A N ASN 205.A O no hydrogen 2.910 N/A LYS 209.A NZ ASP 166.A OD2 no hydrogen 3.243 N/A LYS 209.A NZ TYR 185.A OH no hydrogen 3.021 N/A TYR 210.A N ALA 206.A O no hydrogen 2.980 N/A TYR 210.A OH ASP 166.A OD1 no hydrogen 2.810 N/A LYS 211.A NZ SER 208.A O no hydrogen 3.178 N/A LYS 211.A NZ SER 208.A OG.B no hydrogen 3.392 N/A GLY 213.A N TYR 210.A O no hydrogen 2.805 N/A LEU 216.A N ILE 183.A O no hydrogen 2.989 N/A ILE 217.A N GLY 249.A O no hydrogen 3.245 N/A SER 218.A OG TYR 185.A O no hydrogen 2.762 N/A PHE 219.A N ALA 251.A O no hydrogen 3.306 N/A THR 221.A N TRP 253.A O no hydrogen 2.991 N/A THR 221.A OG1 THR 254.A O no hydrogen 3.231 N/A THR 221.A OG1 THR 257.A OG1 no hydrogen 2.625 N/A THR 221.A OG1 SER 258.A OG no hydrogen 2.758 N/A GLY 222.A N SER 220.A OG no hydrogen 2.947 N/A GLY 227.A N TYR 190.A O no hydrogen 2.775 N/A LYS 232.A N PRO 229.A O no hydrogen 2.906 N/A PHE 234.A N PRO 229.A O no hydrogen 3.405 N/A ALA 237.A N GLY 233.A O no hydrogen 3.279 N/A ALA 238.A N PHE 234.A O no hydrogen 2.934 N/A THR 239.A N PHE 235.A O no hydrogen 2.951 N/A THR 239.A OG1 PHE 235.A O no hydrogen 2.934 N/A SER 240.A N ASP 236.A O no hydrogen 3.224 N/A SER 240.A OG ASP 236.A O no hydrogen 3.563 N/A LEU 241.A N ALA 237.A O no hydrogen 3.108 N/A LYS 242.A N ALA 238.A O no hydrogen 2.908 N/A LYS 242.A NZ PHE 272.A O no hydrogen 3.085 N/A LYS 242.A NZ SER 275.A O no hydrogen 2.892 N/A ASN 243.A N THR 239.A O no hydrogen 3.117 N/A LYS 244.A N SER 240.A O no hydrogen 3.184 N/A GLY 245.A N LYS 242.A O no hydrogen 3.114 N/A LYS 246.A N LEU 241.A O no hydrogen 2.878 N/A LYS 246.A NZ ASN 204.A OD1 no hydrogen 2.943 N/A ILE 250.A N LEU 2.A O no hydrogen 3.339 N/A ALA 251.A N ILE 217.A O no hydrogen 2.962 N/A VAL 252.A N VAL 4.A O no hydrogen 2.826 N/A TRP 253.A N PHE 219.A O no hydrogen 3.323 N/A THR 254.A N THR 257.A OG1 no hydrogen 3.254 N/A THR 254.A OG1 TYR 9.A O no hydrogen 2.816 N/A ALA 255.A N TYR 6.A O no hydrogen 2.865 N/A THR 257.A N THR 254.A OG1 no hydrogen 3.307 N/A THR 257.A OG1 THR 221.A OG1 no hydrogen 2.625 N/A THR 257.A OG1 THR 254.A O no hydrogen 3.330 N/A SER 258.A N THR 254.A O no hydrogen 3.103 N/A SER 258.A OG THR 221.A OG1 no hydrogen 2.758 N/A SER 258.A OG THR 254.A O no hydrogen 3.155 N/A SER 258.A OG GLU 266.A OE1 no hydrogen 2.571 N/A SER 258.A OG GLU 266.A OE2 no hydrogen 3.206 N/A SER 260.A N THR 257.A O no hydrogen 3.432 N/A SER 260.A OG THR 257.A O no hydrogen 3.511 N/A SER 261.A N SER 258.A O no hydrogen 3.198 N/A SER 261.A OG SER 258.A O no hydrogen 3.265 N/A ASP 262.A N LYS 259.A O no hydrogen 3.222 N/A PHE 263.A N SER 258.A O no hydrogen 3.171 N/A ARG 264.A N SER 261.A O no hydrogen 3.211 N/A TYR 265.A OH ASP 231.A OD2 no hydrogen 2.393 N/A GLU 266.A N GLU 266.A OE2 no hydrogen 2.770 N/A GLU 267.A N PHE 263.A O no hydrogen 3.220 N/A GLU 268.A N ARG 264.A O no hydrogen 2.978 N/A ALA 269.A N TYR 265.A O no hydrogen 3.046 N/A GLN 270.A N GLU 266.A O no hydrogen 3.239 N/A ALA 271.A N GLU 267.A O no hydrogen 3.396 N/A PHE 272.A N GLU 268.A O no hydrogen 3.044 N/A LEU 273.A N ALA 269.A O no hydrogen 3.048 N/A VAL 274.A N GLN 270.A O no hydrogen 3.301 N/A SER 275.A OG PHE 272.A O no hydrogen 2.988 N/A