Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sic_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N SER 78.A O no hydrogen 2.826 N/A GLN 2.A NE2 ASN 76.A OD1 no hydrogen 2.995 N/A SER 3.A N GLY 80.A O no hydrogen 2.617 N/A TYR 6.A OH VAL 203.A O no hydrogen 2.753 N/A VAL 8.A N PRO 5.A O no hydrogen 3.219 N/A GLN 10.A N TYR 6.A O no hydrogen 2.941 N/A GLN 10.A NE2 ASP 181.A O no hydrogen 3.376 N/A GLN 10.A NE2 ASN 184.A OD1 no hydrogen 2.986 N/A ILE 11.A N GLY 7.A O no hydrogen 3.361 N/A LYS 12.A N SER 9.A O no hydrogen 3.089 N/A ALA 13.A N VAL 8.A O no hydrogen 3.201 N/A ALA 15.A N LYS 12.A O no hydrogen 3.292 N/A HIS 17.A N ALA 13.A O no hydrogen 3.084 N/A HIS 17.A NE2 VAL 84.A O no hydrogen 2.592 N/A SER 18.A N PRO 14.A O no hydrogen 2.935 N/A SER 18.A OG PRO 14.A O no hydrogen 3.256 N/A SER 18.A OG ALA 15.A O no hydrogen 2.897 N/A GLN 19.A N LEU 16.A O no hydrogen 2.793 N/A GLN 19.A NE2 ALA 15.A O no hydrogen 3.301 N/A GLY 20.A N HIS 17.A O no hydrogen 3.000 N/A TYR 21.A N LEU 16.A O no hydrogen 2.997 N/A THR 22.A OG1 SER 87.A OG no hydrogen 2.751 N/A VAL 26.A N GLY 23.A O no hydrogen 3.088 N/A LYS 27.A N ASP 120.A OD2 no hydrogen 2.919 N/A LYS 27.A NZ ASN 118.A O no hydrogen 3.385 N/A VAL 28.A N SER 89.A O no hydrogen 2.888 N/A ALA 29.A N VAL 121.A O no hydrogen 2.949 N/A VAL 30.A N TYR 91.A O no hydrogen 2.735 N/A ILE 31.A N ASN 123.A O no hydrogen 2.796 N/A ASP 32.A N VAL 93.A O no hydrogen 3.034 N/A SER 33.A N ASP 32.A OD1 no hydrogen 2.772 N/A SER 33.A OG ASP 60.A OD1 no hydrogen 2.539 N/A ILE 35.A N PRO 57.A O no hydrogen 2.938 N/A ASP 36.A N THR 66.A OG1 no hydrogen 3.018 N/A SER 38.A N ASP 36.A OD1 no hydrogen 2.764 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.614 N/A HIS 39.A N ASP 36.A O no hydrogen 3.156 N/A HIS 39.A NE2 LYS 213.A O no hydrogen 2.879 N/A ASP 41.A N HIS 39.A ND1 no hydrogen 3.336 N/A LEU 42.A N HIS 39.A O no hydrogen 3.459 N/A ALA 45.A N LEU 90.A O no hydrogen 2.756 N/A ALA 48.A N ALA 92.A O no hydrogen 2.799 N/A SER 49.A OG GLU 54.A O no hydrogen 2.485 N/A MET 50.A N LYS 94.A O no hydrogen 2.655 N/A VAL 51.A N SER 49.A OG no hydrogen 3.296 N/A GLU 54.A N VAL 51.A O no hydrogen 3.037 N/A PHE 58.A N ASN 56.A OD1 no hydrogen 3.006 N/A ASN 61.A ND2 GLU 54.A OE1 no hydrogen 3.063 N/A ASN 62.A N ASP 60.A OD1 no hydrogen 3.153 N/A ASN 62.A ND2 ALA 98.A O no hydrogen 2.751 N/A SER 63.A N ASP 60.A OD1 no hydrogen 2.699 N/A SER 63.A OG ASN 62.A O no hydrogen 2.533 N/A SER 63.A OG TYR 217.A OH no hydrogen 2.515 N/A HIS 64.A N ASN 62.A OD1 no hydrogen 3.343 N/A HIS 64.A ND1 ASP 32.A OD1 no hydrogen 2.655 N/A HIS 64.A NE2 SER 221.A OG no hydrogen 2.620 N/A GLY 65.A N SER 33.A OG no hydrogen 3.005 N/A THR 66.A N ASP 60.A OD2 no hydrogen 2.609 N/A THR 66.A OG1 ASP 60.A OD2 no hydrogen 2.469 N/A HIS 67.A N SER 63.A O no hydrogen 3.012 N/A HIS 67.A NE2 ILE 205.A O no hydrogen 2.803 N/A VAL 68.A N HIS 64.A O no hydrogen 2.941 N/A ALA 69.A N GLY 65.A O no hydrogen 3.117 N/A GLY 70.A N THR 66.A O no hydrogen 3.324 N/A THR 71.A N HIS 67.A O no hydrogen 3.394 N/A VAL 72.A N VAL 68.A O no hydrogen 3.341 N/A ALA 73.A N ALA 69.A O no hydrogen 2.878 N/A ALA 74.A N GLY 70.A O no hydrogen 2.981 N/A LEU 75.A N ASP 41.A O no hydrogen 2.479 N/A ASN 77.A N GLN 2.A OE1 no hydrogen 3.099 N/A ASN 77.A ND2 ASP 41.A OD1 no hydrogen 3.158 N/A ILE 79.A N ASN 77.A OD1 no hydrogen 3.381 N/A VAL 81.A N ASP 41.A OD2 no hydrogen 2.891 N/A GLY 83.A N ALA 74.A O no hydrogen 3.004 N/A VAL 84.A N THR 71.A O no hydrogen 2.912 N/A ALA 85.A N VAL 72.A O no hydrogen 2.699 N/A SER 87.A N THR 22.A O no hydrogen 3.082 N/A SER 87.A OG THR 22.A OG1 no hydrogen 2.751 N/A ALA 88.A N ALA 85.A O no hydrogen 2.945 N/A SER 89.A N VAL 26.A O no hydrogen 2.758 N/A TYR 91.A N VAL 28.A O no hydrogen 2.845 N/A ALA 92.A N GLY 46.A O no hydrogen 2.912 N/A VAL 93.A N VAL 30.A O no hydrogen 3.276 N/A LYS 94.A N ALA 48.A O no hydrogen 2.761 N/A LYS 94.A NZ ASN 56.A O no hydrogen 3.101 N/A LYS 94.A NZ GLN 59.A O no hydrogen 2.761 N/A VAL 95.A N ASP 32.A O no hydrogen 2.834 N/A LEU 96.A N ASP 32.A O no hydrogen 2.978 N/A GLY 97.A N SER 101.A O no hydrogen 2.988 N/A ALA 98.A N GLU 54.A OE2 no hydrogen 3.250 N/A GLY 100.A N GLY 97.A O no hydrogen 2.477 N/A SER 101.A N ASP 99.A OD1 no hydrogen 3.119 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.802 N/A TYR 104.A OH SER 130.A O no hydrogen 2.554 N/A TRP 106.A N GLN 103.A O no hydrogen 2.893 N/A ILE 107.A N GLN 103.A O no hydrogen 3.206 N/A ILE 108.A N TYR 104.A O no hydrogen 2.800 N/A ASN 109.A N SER 105.A O no hydrogen 3.013 N/A GLY 110.A N TRP 106.A O no hydrogen 2.908 N/A ILE 111.A N ILE 107.A O no hydrogen 3.161 N/A GLU 112.A N ILE 108.A O no hydrogen 3.049 N/A TRP 113.A N ASN 109.A O no hydrogen 2.983 N/A ALA 114.A N GLY 110.A O no hydrogen 2.869 N/A ILE 115.A N ILE 111.A O no hydrogen 2.764 N/A ALA 116.A N GLU 112.A O no hydrogen 3.226 N/A ASN 117.A ND2 TRP 113.A O no hydrogen 3.148 N/A ASN 118.A N ILE 115.A O no hydrogen 3.244 N/A MET 119.A N ALA 114.A O no hydrogen 3.121 N/A ASP 120.A N LYS 27.A O no hydrogen 2.867 N/A VAL 121.A N LYS 27.A O no hydrogen 3.287 N/A ILE 122.A N VAL 148.A O no hydrogen 2.782 N/A ASN 123.A N ALA 29.A O no hydrogen 2.885 N/A ASN 123.A ND2 SER 125.A OG no hydrogen 3.161 N/A MET 124.A N VAL 150.A O no hydrogen 2.956 N/A SER 125.A OG SER 221.A O no hydrogen 2.837 N/A GLY 128.A N TYR 167.A O no hydrogen 3.012 N/A SER 132.A N TYR 171.A OH no hydrogen 3.071 N/A LEU 135.A N SER 132.A OG no hydrogen 3.136 N/A LYS 136.A N SER 132.A O no hydrogen 2.946 N/A ALA 137.A N ALA 133.A O no hydrogen 3.040 N/A ALA 138.A N ALA 134.A O no hydrogen 3.020 N/A ALA 138.A N LEU 135.A O no hydrogen 3.202 N/A VAL 139.A N LEU 135.A O no hydrogen 3.114 N/A ASP 140.A N LYS 136.A O no hydrogen 2.847 N/A LYS 141.A N ALA 137.A O no hydrogen 2.955 N/A LYS 141.A NZ GLU 112.A OE1 no hydrogen 2.916 N/A ALA 142.A N ALA 138.A O no hydrogen 3.062 N/A VAL 143.A N VAL 139.A O no hydrogen 3.093 N/A ALA 144.A N ASP 140.A O no hydrogen 2.937 N/A SER 145.A N LYS 141.A O no hydrogen 2.854 N/A SER 145.A OG LYS 141.A O no hydrogen 2.659 N/A GLY 146.A N VAL 143.A O no hydrogen 2.927 N/A VAL 147.A N ALA 142.A O no hydrogen 3.055 N/A VAL 148.A N ASP 120.A O no hydrogen 2.621 N/A VAL 150.A N ILE 122.A O no hydrogen 3.217 N/A ALA 151.A N ILE 175.A O no hydrogen 2.840 N/A ALA 152.A N MET 124.A O no hydrogen 3.446 N/A ALA 153.A N VAL 177.A O no hydrogen 2.813 N/A GLY 154.A N THR 220.A OG1 no hydrogen 3.359 N/A GLU 156.A N SER 191.A OG no hydrogen 3.089 N/A GLY 157.A N PHE 189.A O no hydrogen 2.717 N/A SER 162.A N SER 159.A O no hydrogen 3.022 N/A SER 162.A OG SER 159.A O no hydrogen 3.081 N/A SER 163.A OG GLU 195.A OE1 no hydrogen 2.852 N/A THR 164.A N VAL 192.A O no hydrogen 2.694 N/A THR 164.A OG1 GLY 157.A O no hydrogen 2.617 N/A THR 164.A OG1 VAL 192.A O no hydrogen 3.249 N/A VAL 165.A N SER 163.A OG no hydrogen 3.368 N/A GLY 166.A N ALA 153.A O no hydrogen 3.134 N/A TYR 167.A N GLY 128.A O no hydrogen 2.950 N/A LYS 170.A NZ SER 163.A OG no hydrogen 3.016 N/A LYS 170.A NZ VAL 165.A O no hydrogen 2.968 N/A LYS 170.A NZ GLU 195.A OE2 no hydrogen 3.446 N/A TYR 171.A N PRO 168.A O no hydrogen 3.144 N/A SER 173.A OG ASP 140.A OD1 no hydrogen 2.983 N/A VAL 174.A N TYR 171.A O no hydrogen 3.203 N/A ILE 175.A N VAL 149.A O no hydrogen 2.726 N/A ALA 176.A N ASP 197.A OD2 no hydrogen 2.433 N/A VAL 177.A N ALA 151.A O no hydrogen 3.024 N/A GLY 178.A N VAL 198.A O no hydrogen 2.944 N/A ALA 179.A N SER 190.A OG no hydrogen 3.207 N/A VAL 180.A N ALA 200.A O no hydrogen 2.895 N/A ASP 181.A N GLN 185.A O no hydrogen 2.748 N/A SER 183.A N ASP 181.A OD1 no hydrogen 2.592 N/A ASN 184.A N ASP 181.A O no hydrogen 2.772 N/A GLN 185.A N ASP 181.A OD1 no hydrogen 2.984 N/A ARG 186.A N TYR 263.A OH no hydrogen 3.097 N/A ARG 186.A NH2 SER 190.A O no hydrogen 2.937 N/A ALA 187.A N ALA 179.A O no hydrogen 2.876 N/A SER 190.A N ALA 187.A O no hydrogen 2.975 N/A SER 190.A OG SER 191.A O no hydrogen 3.544 N/A SER 191.A N GLY 154.A O no hydrogen 3.119 N/A SER 191.A OG THR 164.A O no hydrogen 2.601 N/A VAL 192.A N THR 164.A OG1 no hydrogen 2.659 N/A GLY 193.A N PHE 261.A O no hydrogen 3.011 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.470 N/A LEU 196.A N GLY 193.A O no hydrogen 3.491 N/A ASP 197.A N ALA 176.A O no hydrogen 2.897 N/A VAL 198.A N ALA 176.A O no hydrogen 3.085 N/A MET 199.A N GLY 266.A O no hydrogen 2.816 N/A ALA 200.A N GLY 178.A O no hydrogen 3.065 N/A GLY 202.A N VAL 180.A O no hydrogen 3.041 N/A SER 204.A N ASN 218.A OD1 no hydrogen 2.599 N/A ILE 205.A N TYR 217.A O no hydrogen 2.903 N/A SER 207.A N GLY 215.A O no hydrogen 2.582 N/A SER 207.A OG HIS 67.A O no hydrogen 2.573 N/A THR 208.A N SER 207.A OG no hydrogen 2.928 N/A THR 208.A OG1 THR 66.A O no hydrogen 2.934 N/A LEU 209.A N LYS 213.A O no hydrogen 2.901 N/A GLY 211.A N ASP 36.A OD2 no hydrogen 2.961 N/A LYS 213.A N LEU 209.A O no hydrogen 3.225 N/A GLY 215.A N SER 207.A O no hydrogen 2.767 N/A TYR 217.A N ILE 205.A O no hydrogen 3.012 N/A TYR 217.A OH SER 63.A OG no hydrogen 2.515 N/A GLY 219.A N GLY 202.A O no hydrogen 2.905 N/A THR 220.A N ASN 155.A OD1 no hydrogen 3.069 N/A THR 220.A OG1 GLY 154.A O no hydrogen 3.204 N/A THR 220.A OG1 ASN 155.A OD1 no hydrogen 3.161 N/A SER 221.A OG HIS 64.A NE2 no hydrogen 2.620 N/A SER 221.A OG SER 125.A O no hydrogen 3.135 N/A MET 222.A N GLY 219.A O no hydrogen 3.089 N/A ALA 223.A N THR 220.A O no hydrogen 3.230 N/A SER 224.A N THR 220.A O no hydrogen 3.064 N/A SER 224.A OG ASN 123.A OD1 no hydrogen 2.886 N/A HIS 226.A N ALA 223.A O no hydrogen 3.001 N/A HIS 226.A ND1 MET 222.A O no hydrogen 2.670 N/A VAL 227.A N SER 224.A O no hydrogen 2.710 N/A ALA 228.A N SER 224.A O no hydrogen 3.257 N/A GLY 229.A N PRO 225.A O no hydrogen 2.847 N/A ALA 230.A N HIS 226.A O no hydrogen 2.896 N/A ALA 231.A N VAL 227.A O no hydrogen 2.729 N/A ALA 232.A N ALA 228.A O no hydrogen 3.252 N/A ALA 232.A N GLY 229.A O no hydrogen 3.148 N/A LEU 233.A N GLY 229.A O no hydrogen 3.221 N/A ILE 234.A N ALA 230.A O no hydrogen 3.316 N/A LEU 235.A N ALA 231.A O no hydrogen 3.194 N/A SER 236.A N LEU 233.A O no hydrogen 2.843 N/A SER 236.A OG LEU 233.A O no hydrogen 2.362 N/A LYS 237.A N LEU 233.A O no hydrogen 3.099 N/A LYS 237.A NZ ALA 274.A O no hydrogen 2.655 N/A HIS 238.A N ILE 234.A O no hydrogen 2.878 N/A HIS 238.A NE2 ALA 274.A O no hydrogen 3.066 N/A TRP 241.A N HIS 238.A O no hydrogen 3.199 N/A THR 242.A N GLN 245.A OE1 no hydrogen 3.111 N/A ASN 243.A ND2 VAL 143.A O no hydrogen 2.827 N/A ASN 243.A ND2 VAL 147.A O no hydrogen 3.222 N/A THR 244.A N ASN 243.A OD1 no hydrogen 2.991 N/A THR 244.A OG1 ASN 243.A OD1 no hydrogen 3.453 N/A GLN 245.A N THR 242.A OG1 no hydrogen 3.292 N/A VAL 246.A N THR 242.A O no hydrogen 3.003 N/A ARG 247.A N ASN 243.A O no hydrogen 2.840 N/A ARG 247.A NE GLU 251.A OE2 no hydrogen 2.452 N/A ARG 247.A NH1 PRO 172.A O no hydrogen 3.010 N/A ARG 247.A NH2 GLU 251.A OE2 no hydrogen 2.645 N/A SER 248.A N THR 244.A O no hydrogen 3.349 N/A SER 249.A N GLN 245.A O no hydrogen 3.100 N/A SER 249.A OG ALA 273.A O no hydrogen 2.535 N/A LEU 250.A N VAL 246.A O no hydrogen 3.000 N/A GLU 251.A N ARG 247.A O no hydrogen 2.817 N/A ASN 252.A N SER 248.A O no hydrogen 2.823 N/A THR 253.A OG1 SER 249.A O no hydrogen 2.673 N/A THR 254.A OG1 LYS 265.A O no hydrogen 2.572 N/A THR 255.A N LEU 267.A O no hydrogen 2.729 N/A LYS 256.A NZ GLY 264.A O no hydrogen 3.082 N/A PHE 261.A N ASP 259.A OD1 no hydrogen 3.141 N/A TYR 262.A N ASP 259.A O no hydrogen 3.056 N/A TYR 263.A N ASP 259.A O no hydrogen 2.949 N/A LYS 265.A N ASP 197.A O no hydrogen 2.915 N/A GLY 266.A N TYR 263.A O no hydrogen 2.746 N/A LEU 267.A N THR 255.A O no hydrogen 2.875 N/A ILE 268.A N MET 199.A O no hydrogen 3.250 N/A VAL 270.A N ILE 11.A O no hydrogen 2.972 N/A ALA 272.A N ASN 269.A OD1 no hydrogen 3.183 N/A ALA 273.A N ASN 269.A O no hydrogen 2.966 N/A ALA 274.A N VAL 270.A O no hydrogen 3.034 N/A