Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8tul_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ARG 19.A O no hydrogen 2.742 N/A VAL 5.A N PHE 17.A O no hydrogen 3.144 N/A THR 6.A N ILE 68.A O no hydrogen 2.923 N/A LYS 7.A N THR 15.A O no hydrogen 2.630 N/A PHE 8.A N LEU 66.A O no hydrogen 2.705 N/A ASP 9.A N ASN 13.A O no hydrogen 3.371 N/A GLY 12.A N ASP 9.A O no hydrogen 3.217 N/A THR 15.A N LYS 7.A O no hydrogen 2.920 N/A THR 15.A OG1 LYS 7.A O no hydrogen 3.259 N/A PHE 17.A N VAL 5.A O no hydrogen 3.014 N/A ARG 19.A N PHE 3.A O no hydrogen 3.252 N/A ARG 19.A NE GLU 23.A OE1 no hydrogen 3.314 N/A ARG 19.A NE GLU 23.A OE2 no hydrogen 2.667 N/A LEU 24.A N LYS 20.A O no hydrogen 2.908 N/A TYR 25.A N LYS 21.A O no hydrogen 3.100 N/A GLU 27.A N GLU 23.A O no hydrogen 2.989 N/A LEU 28.A N LEU 24.A O no hydrogen 2.831 N/A GLY 29.A N GLN 26.A O no hydrogen 3.216 N/A LEU 30.A N TYR 25.A O no hydrogen 2.773 N/A ASP 34.A N GLN 31.A O no hydrogen 3.287 N/A ARG 36.A NE ARG 33.A O no hydrogen 3.527 N/A SER 42.A N ARG 53.A O no hydrogen 3.215 N/A THR 44.A N ILE 51.A O no hydrogen 2.934 N/A ARG 46.A N ARG 49.A O no hydrogen 2.867 N/A ARG 46.A NE VAL 45.A O no hydrogen 2.910 N/A ASN 48.A ND2 VAL 187.A O no hydrogen 3.193 N/A ARG 49.A NH1 ASN 48.A O no hydrogen 3.033 N/A ILE 50.A N ILE 61.A O no hydrogen 3.055 N/A ILE 51.A N THR 44.A O no hydrogen 2.691 N/A MET 52.A N ALA 59.A O no hydrogen 2.958 N/A ARG 53.A N SER 42.A O no hydrogen 2.933 N/A ARG 53.A NE GLU 55.A O no hydrogen 2.751 N/A ARG 53.A NH2 GLU 55.A O no hydrogen 3.014 N/A MET 54.A N LEU 57.A O no hydrogen 2.744 N/A GLU 55.A N VAL 40.A O no hydrogen 2.946 N/A TYR 56.A OH TYR 112.A OH no hydrogen 2.870 N/A LEU 57.A N MET 54.A O no hydrogen 2.885 N/A ALA 59.A N MET 52.A O no hydrogen 2.868 N/A VAL 60.A N LEU 67.A O no hydrogen 2.937 N/A ILE 61.A N ILE 50.A O no hydrogen 2.722 N/A THR 62.A N CYS 65.A O no hydrogen 2.788 N/A THR 62.A OG1 CYS 65.A O no hydrogen 2.629 N/A CYS 65.A N THR 62.A OG1 no hydrogen 2.779 N/A CYS 65.A SG THR 62.A OG1 no hydrogen 2.690 N/A LEU 66.A N PHE 8.A O no hydrogen 2.728 N/A LEU 67.A N VAL 60.A O no hydrogen 2.956 N/A ILE 68.A N THR 6.A O no hydrogen 2.890 N/A LEU 69.A N LYS 58.A O no hydrogen 2.817 N/A ASP 70.A N THR 4.A O no hydrogen 3.307 N/A PHE 81.A N GLU 77.A O no hydrogen 3.202 N/A ARG 82.A N GLN 78.A O no hydrogen 3.114 N/A GLU 83.A N TRP 79.A O no hydrogen 3.282 N/A LEU 84.A N TRP 79.A O no hydrogen 2.623 N/A SER 86.A OG GLU 83.A O no hydrogen 2.511 N/A GLN 87.A N GLU 83.A O no hydrogen 3.399 N/A GLN 87.A NE2 GLU 83.A OE2 no hydrogen 3.267 N/A LEU 88.A N LEU 84.A O no hydrogen 3.049 N/A SER 89.A N PRO 85.A O no hydrogen 2.969 N/A SER 89.A OG PRO 85.A O no hydrogen 3.130 N/A SER 89.A OG SER 86.A O no hydrogen 2.718 N/A LEU 99.A N TYR 97.A O no hydrogen 2.873 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 3.266 N/A ARG 104.A N PRO 100.A O no hydrogen 3.394 N/A ARG 104.A NE LEU 88.A O no hydrogen 2.714 N/A ALA 105.A N PHE 101.A O no hydrogen 2.843 N/A ILE 106.A N GLU 102.A O no hydrogen 2.834 N/A GLU 107.A N PHE 103.A O no hydrogen 2.978 N/A ALA 108.A N ARG 104.A O no hydrogen 3.055 N/A LEU 109.A N ALA 105.A O no hydrogen 3.041 N/A LEU 110.A N ILE 106.A O no hydrogen 2.860 N/A GLN 111.A N GLU 107.A O no hydrogen 2.774 N/A GLN 111.A NE2 ASN 115.A OD1 no hydrogen 2.971 N/A TYR 112.A N ALA 108.A O no hydrogen 3.042 N/A TYR 112.A OH TYR 56.A OH no hydrogen 2.870 N/A TRP 113.A N LEU 109.A O no hydrogen 3.169 N/A ILE 114.A N LEU 110.A O no hydrogen 3.073 N/A ASN 115.A N GLN 111.A O no hydrogen 3.053 N/A ASN 115.A N TYR 112.A O no hydrogen 3.186 N/A THR 116.A N TYR 112.A O no hydrogen 3.131 N/A THR 116.A OG1 TRP 113.A O no hydrogen 3.092 N/A LEU 117.A N TRP 113.A O no hydrogen 3.009 N/A GLN 118.A N ILE 114.A O no hydrogen 3.007 N/A GLY 119.A N ASN 115.A O no hydrogen 2.762 N/A LYS 120.A N THR 116.A O no hydrogen 2.961 N/A LEU 121.A N LEU 117.A O no hydrogen 3.280 N/A SER 122.A N GLN 118.A O no hydrogen 2.882 N/A SER 122.A OG GLN 118.A O no hydrogen 3.024 N/A ILE 123.A N LYS 120.A O no hydrogen 3.410 N/A LEU 124.A N LYS 120.A O no hydrogen 3.057 N/A GLN 125.A N LEU 121.A O no hydrogen 2.966 N/A ILE 128.A N LEU 124.A O no hydrogen 2.907 N/A LEU 129.A N GLN 125.A O no hydrogen 2.918 N/A GLU 130.A N PRO 126.A O no hydrogen 2.961 N/A THR 131.A N LEU 127.A O no hydrogen 3.134 N/A THR 131.A OG1 LEU 127.A O no hydrogen 3.067 N/A LEU 132.A N ILE 128.A O no hydrogen 2.873 N/A ASP 133.A N LEU 129.A O no hydrogen 2.978 N/A LEU 135.A N THR 131.A O no hydrogen 3.162 N/A SER 146.A N ASP 144.A OD1 no hydrogen 3.300 N/A SER 146.A OG ASP 144.A OD1 no hydrogen 2.628 N/A HIS 149.A N SER 146.A O no hydrogen 3.282 N/A LEU 151.A N LYS 147.A O no hydrogen 3.218 N/A LEU 152.A N LEU 148.A O no hydrogen 3.036 N/A GLN 153.A N HIS 149.A O no hydrogen 2.944 N/A ASN 154.A N ILE 150.A O no hydrogen 2.833 N/A GLY 155.A N LEU 151.A O no hydrogen 2.833 N/A LYS 156.A N LEU 152.A O no hydrogen 3.167 N/A SER 157.A N GLN 153.A O no hydrogen 3.046 N/A SER 157.A OG GLN 153.A O no hydrogen 3.457 N/A LEU 158.A N ASN 154.A O no hydrogen 2.957 N/A SER 159.A N GLY 155.A O no hydrogen 3.131 N/A SER 159.A OG LYS 156.A O no hydrogen 3.219 N/A GLU 160.A N LYS 156.A O no hydrogen 3.138 N/A LEU 161.A N SER 157.A O no hydrogen 2.946 N/A GLU 162.A N LEU 158.A O no hydrogen 2.871 N/A THR 163.A N SER 159.A O no hydrogen 3.202 N/A THR 163.A OG1 SER 159.A O no hydrogen 3.068 N/A ASP 164.A N GLU 160.A O no hydrogen 3.119 N/A ILE 165.A N LEU 161.A O no hydrogen 3.041 N/A LYS 166.A N GLU 162.A O no hydrogen 2.995 N/A LYS 166.A NZ GLU 170.A OE2 no hydrogen 3.482 N/A ILE 167.A N THR 163.A O no hydrogen 2.917 N/A PHE 168.A N ASP 164.A O no hydrogen 3.158 N/A LYS 169.A N ILE 165.A O no hydrogen 2.996 N/A LYS 169.A NZ ASP 221.A OD1 no hydrogen 3.152 N/A LYS 169.A NZ SER 224.A OG no hydrogen 3.308 N/A GLU 170.A N LYS 166.A O no hydrogen 3.105 N/A SER 171.A N ILE 167.A O no hydrogen 3.140 N/A SER 171.A OG ILE 167.A O no hydrogen 3.221 N/A ILE 172.A N PHE 168.A O no hydrogen 3.238 N/A LEU 173.A N LYS 169.A O no hydrogen 2.841 N/A GLU 174.A N GLU 170.A O no hydrogen 2.966 N/A LEU 176.A N ILE 172.A O no hydrogen 2.986 N/A ASP 177.A N LEU 173.A O no hydrogen 2.883 N/A LEU 182.A N GLU 178.A O no hydrogen 3.085 N/A GLU 183.A N GLU 179.A O no hydrogen 2.798 N/A GLU 184.A N GLU 180.A O no hydrogen 3.072 N/A LEU 185.A N LEU 182.A O no hydrogen 3.298 N/A CYS 186.A N GLU 183.A O no hydrogen 3.121 N/A CYS 186.A SG GLU 183.A OE1 no hydrogen 3.713 N/A SER 188.A N GLU 102.A OE1 no hydrogen 3.161 N/A SER 188.A N GLU 102.A OE2 no hydrogen 2.919 N/A SER 188.A OG GLU 102.A OE1 no hydrogen 2.311 N/A SER 188.A OG GLU 102.A OE2 no hydrogen 3.294 N/A LYS 189.A NZ GLU 183.A OE2 no hydrogen 2.813 N/A TRP 190.A NE1 GLU 183.A O no hydrogen 3.243 N/A SER 191.A N VAL 187.A O no hydrogen 3.054 N/A SER 191.A OG VAL 187.A O no hydrogen 3.559 N/A ASP 192.A N SER 188.A O no hydrogen 3.054 N/A PHE 196.A N ASP 192.A O no hydrogen 3.140 N/A LYS 198.A N VAL 195.A O no hydrogen 3.236 N/A ALA 201.A N SER 199.A O no hydrogen 2.904 N/A MET 209.A N HIS 205.A O no hydrogen 3.242 N/A GLU 210.A N ALA 206.A O no hydrogen 3.074 N/A LEU 211.A N GLU 207.A O no hydrogen 2.758 N/A LEU 212.A N GLU 208.A O no hydrogen 3.076 N/A LEU 213.A N MET 209.A O no hydrogen 3.017 N/A GLU 214.A N GLU 210.A O no hydrogen 2.837 N/A ASN 215.A N LEU 211.A O no hydrogen 3.078 N/A TYR 216.A OH GLN 111.A OE1 no hydrogen 2.848 N/A TYR 217.A N LEU 213.A O no hydrogen 3.048 N/A ARG 218.A N GLU 214.A O no hydrogen 3.089 N/A LEU 219.A N ASN 215.A O no hydrogen 3.081 N/A ALA 220.A N TYR 216.A O no hydrogen 3.047 N/A ASP 221.A N TYR 217.A O no hydrogen 2.834 N/A ASP 222.A N ARG 218.A O no hydrogen 2.955 N/A LEU 223.A N LEU 219.A O no hydrogen 3.256 N/A SER 224.A N ALA 220.A O no hydrogen 2.941 N/A SER 224.A OG ALA 220.A O no hydrogen 3.476 N/A ASN 225.A N ASP 221.A O no hydrogen 3.225 N/A ALA 226.A N ASP 222.A O no hydrogen 3.122 N/A ALA 227.A N LEU 223.A O no hydrogen 2.894 N/A ARG 228.A N SER 224.A O no hydrogen 2.843 N/A ARG 228.A NH2 ASN 225.A OD1 no hydrogen 3.066 N/A GLU 229.A N ASN 225.A O no hydrogen 2.963 N/A LEU 230.A N ALA 226.A O no hydrogen 3.255 N/A ARG 231.A N ALA 227.A O no hydrogen 3.228 N/A VAL 232.A N ARG 228.A O no hydrogen 3.007 N/A LEU 233.A N GLU 229.A O no hydrogen 2.867 N/A ILE 234.A N LEU 230.A O no hydrogen 3.027 N/A ASP 235.A N ARG 231.A O no hydrogen 3.291 N/A ASP 236.A N VAL 232.A O no hydrogen 2.944 N/A SER 237.A N LEU 233.A O no hydrogen 2.879 N/A SER 237.A OG LEU 233.A O no hydrogen 3.139 N/A GLN 238.A N ILE 234.A O no hydrogen 3.044 N/A SER 239.A N ASP 235.A O no hydrogen 3.243 N/A ILE 240.A N ASP 236.A O no hydrogen 3.249 N/A ILE 241.A N SER 237.A O no hydrogen 2.932 N/A PHE 242.A N GLN 238.A O no hydrogen 2.961 N/A ILE 243.A N SER 239.A O no hydrogen 3.199 N/A ASN 244.A N ILE 240.A O no hydrogen 2.956 N/A LEU 245.A N ILE 241.A O no hydrogen 2.917 N/A ASP 246.A N PHE 242.A O no hydrogen 3.047 N/A SER 247.A N ILE 243.A O no hydrogen 2.901 N/A SER 247.A OG ILE 243.A O no hydrogen 2.713 N/A HIS 248.A N ASN 244.A O no hydrogen 3.196 N/A ARG 249.A N LEU 245.A O no hydrogen 3.063 N/A ARG 249.A NH1 ASN 250.A OD1 no hydrogen 2.300 N/A VAL 251.A N SER 247.A O no hydrogen 3.052 N/A MET 252.A N HIS 248.A O no hydrogen 2.994 N/A MET 253.A N ARG 249.A O no hydrogen 3.053 N/A ARG 254.A N ASN 250.A O no hydrogen 3.005 N/A LEU 255.A N VAL 251.A O no hydrogen 3.096 N/A ASN 256.A N MET 252.A O no hydrogen 2.952 N/A LEU 257.A N MET 253.A O no hydrogen 3.182 N/A GLN 258.A N ARG 254.A O no hydrogen 2.995 N/A LEU 259.A N LEU 255.A O no hydrogen 3.010 N/A THR 260.A N ASN 256.A O no hydrogen 2.800 N/A THR 260.A OG1 ASN 256.A O no hydrogen 3.067 N/A MET 261.A N LEU 257.A O no hydrogen 3.001 N/A GLY 262.A N GLN 258.A O no hydrogen 3.286 N/A THR 263.A N LEU 259.A O no hydrogen 3.004 N/A THR 263.A OG1 THR 260.A O no hydrogen 3.011 N/A PHE 264.A N THR 260.A O no hydrogen 2.936 N/A SER 265.A N MET 261.A O no hydrogen 3.003 N/A SER 265.A OG MET 261.A O no hydrogen 2.540 N/A LEU 266.A N GLY 262.A O no hydrogen 3.134 N/A SER 267.A N THR 263.A O no hydrogen 2.958 N/A SER 267.A OG THR 263.A O no hydrogen 3.065 N/A LEU 268.A N PHE 264.A O no hydrogen 2.744 N/A PHE 269.A N SER 265.A O no hydrogen 3.178 N/A VAL 274.A N GLY 270.A O no hydrogen 2.947 N/A ALA 275.A N LEU 271.A O no hydrogen 2.776 N/A PHE 276.A N MET 272.A O no hydrogen 2.997 N/A GLY 277.A N VAL 274.A O no hydrogen 3.168 N/A SER 282.A N GLU 285.A OE2 no hydrogen 3.434 N/A SER 283.A OG SER 283.A O no hydrogen 2.343 N/A ARG 289.A N ASP 287.A OD1 no hydrogen 2.920 N/A ILE 294.A N ILE 290.A O no hydrogen 3.031 N/A THR 295.A N PHE 291.A O no hydrogen 2.955 N/A THR 295.A OG1 PHE 291.A O no hydrogen 2.765 N/A GLY 296.A N TRP 292.A O no hydrogen 2.946 N/A ILE 297.A N LEU 293.A O no hydrogen 3.052 N/A MET 298.A N ILE 294.A O no hydrogen 2.938 N/A PHE 299.A N THR 295.A O no hydrogen 3.203 N/A MET 300.A N GLY 296.A O no hydrogen 2.830 N/A GLY 301.A N ILE 297.A O no hydrogen 2.616 N/A SER 302.A N MET 298.A O no hydrogen 3.040 N/A SER 302.A OG SER 265.A O no hydrogen 3.296 N/A SER 302.A OG MET 298.A O no hydrogen 2.603 N/A GLY 303.A N PHE 299.A O no hydrogen 3.233 N/A LEU 304.A N MET 300.A O no hydrogen 2.918 N/A ILE 305.A N GLY 301.A O no hydrogen 2.978 N/A TRP 306.A N SER 302.A O no hydrogen 2.932 N/A TRP 306.A NE1 GLN 258.A O no hydrogen 3.060 N/A ARG 307.A N GLY 303.A O no hydrogen 2.904 N/A ARG 308.A N LEU 304.A O no hydrogen 2.940 N/A LEU 309.A N ILE 305.A O no hydrogen 2.814 N/A LEU 310.A N TRP 306.A O no hydrogen 2.885 N/A SER 311.A N ARG 307.A O no hydrogen 3.279 N/A SER 311.A OG ARG 307.A O no hydrogen 3.214 N/A PHE 312.A N LEU 309.A O no hydrogen 2.947 N/A GLY 314.A N LEU 310.A O no hydrogen 3.321 N/A ARG 315.A N SER 311.A O no hydrogen 2.820 N/A GLN 316.A N PHE 312.A O no hydrogen 3.147 N/A LEU 317.A N GLY 314.A O no hydrogen 3.108 N/A