Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aco_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N SER 2.A OG no hydrogen 3.371 N/A GLU 5.A N SER 2.A O no hydrogen 3.044 N/A GLY 7.A N GLN 121.A OE1 no hydrogen 2.765 N/A ASN 8.A N GLU 5.A O no hydrogen 2.947 N/A ASN 8.A ND2 SER 2.A O no hydrogen 2.564 N/A TYR 9.A OH GLU 114.A OE1 no hydrogen 3.082 N/A LYS 10.A N GLY 7.A O no hydrogen 3.373 N/A ARG 11.A N ASN 8.A O no hydrogen 3.508 N/A VAL 13.A N TYR 9.A O no hydrogen 3.110 N/A LYS 14.A N LYS 10.A O no hydrogen 2.744 N/A LYS 14.A NZ ASP 18.A OD1 no hydrogen 3.175 N/A LYS 14.A NZ ASP 18.A OD2 no hydrogen 2.573 N/A ARG 15.A N ARG 11.A O no hydrogen 3.084 N/A ARG 15.A NH1 GLN 211.A OE1 no hydrogen 3.282 N/A ARG 15.A NH2 GLN 211.A OE1 no hydrogen 2.481 N/A ILE 16.A N VAL 13.A O no hydrogen 2.970 N/A ASP 18.A N LYS 14.A O no hydrogen 2.982 N/A GLY 19.A N ARG 15.A O no hydrogen 2.842 N/A HIS 20.A N ASP 17.A O no hydrogen 3.107 N/A ARG 21.A N ASP 17.A O no hydrogen 3.356 N/A ARG 21.A NE ASP 25.A OD2 no hydrogen 2.717 N/A LEU 22.A N ASP 18.A O no hydrogen 2.822 N/A CYS 23.A N GLY 19.A O no hydrogen 3.309 N/A CYS 23.A SG GLY 19.A O no hydrogen 3.260 N/A SER 24.A N HIS 20.A O no hydrogen 3.241 N/A SER 24.A OG HIS 20.A O no hydrogen 3.500 N/A SER 24.A OG GLN 97.A OE1 no hydrogen 2.642 N/A ASP 25.A N ARG 21.A O no hydrogen 2.838 N/A LEU 26.A N LEU 22.A O no hydrogen 2.944 N/A CYS 28.A N ASP 25.A O no hydrogen 2.914 N/A LEU 29.A N LEU 26.A O no hydrogen 3.129 N/A GLU 31.A N ASN 27.A O no hydrogen 2.782 N/A ARG 32.A N CYS 28.A O no hydrogen 3.088 N/A ARG 32.A NE GLU 36.A OE1 no hydrogen 3.318 N/A ALA 33.A N LEU 29.A O no hydrogen 2.771 N/A ARG 34.A N HIS 30.A O no hydrogen 2.904 N/A ILE 35.A N GLU 31.A O no hydrogen 3.041 N/A GLU 36.A N ARG 32.A O no hydrogen 3.037 N/A LYS 37.A N ALA 33.A O no hydrogen 2.957 N/A ALA 38.A N ARG 34.A O no hydrogen 2.892 N/A TYR 39.A N ILE 35.A O no hydrogen 3.062 N/A ALA 40.A N GLU 36.A O no hydrogen 3.152 N/A GLN 41.A N LYS 37.A O no hydrogen 2.769 N/A GLN 42.A N ALA 38.A O no hydrogen 2.825 N/A LEU 43.A N TYR 39.A O no hydrogen 2.886 N/A THR 44.A N ALA 40.A O no hydrogen 2.903 N/A THR 44.A N GLN 41.A O no hydrogen 3.231 N/A THR 44.A OG1 ALA 40.A O no hydrogen 2.965 N/A THR 44.A OG1 SER 76.A OG no hydrogen 2.933 N/A GLU 45.A N GLN 41.A O no hydrogen 3.167 N/A TRP 46.A N GLN 42.A O no hydrogen 3.113 N/A ALA 47.A N LEU 43.A O no hydrogen 3.155 N/A ARG 48.A N THR 44.A O no hydrogen 2.981 N/A ARG 49.A N GLU 45.A O no hydrogen 2.762 N/A TRP 50.A N TRP 46.A O no hydrogen 2.805 N/A ARG 51.A N ALA 47.A O no hydrogen 2.884 N/A GLN 52.A N ARG 48.A O no hydrogen 3.474 N/A LEU 53.A N ARG 49.A O no hydrogen 3.058 N/A VAL 54.A N TRP 50.A O no hydrogen 3.137 N/A GLU 55.A N ARG 51.A O no hydrogen 3.091 N/A LYS 56.A N GLN 52.A O no hydrogen 2.972 N/A GLY 57.A N VAL 54.A O no hydrogen 3.138 N/A GLN 59.A NE2 TYR 60.A O no hydrogen 2.923 N/A THR 62.A N ASP 259.A OD1 no hydrogen 2.785 N/A THR 62.A OG1 ASP 255.A O no hydrogen 3.438 N/A THR 62.A OG1 ASP 259.A OD1 no hydrogen 2.642 N/A THR 62.A OG1 ASP 259.A OD2 no hydrogen 2.940 N/A VAL 63.A N ASP 259.A OD2 no hydrogen 3.037 N/A GLU 64.A N GLY 61.A O no hydrogen 3.152 N/A LYS 65.A N THR 62.A O no hydrogen 3.078 N/A ALA 66.A N THR 62.A O no hydrogen 2.964 N/A TRP 67.A N VAL 63.A O no hydrogen 3.248 N/A PHE 69.A N TRP 67.A O no hydrogen 3.005 N/A GLU 71.A N ALA 68.A O no hydrogen 3.282 N/A ALA 72.A N PHE 69.A O no hydrogen 2.901 N/A ARG 74.A N SER 70.A O no hydrogen 2.815 N/A ARG 74.A NH1 ASP 246.A OD2 no hydrogen 3.308 N/A VAL 75.A N GLU 71.A O no hydrogen 2.771 N/A SER 76.A N ALA 72.A O no hydrogen 3.113 N/A SER 76.A OG ALA 40.A O no hydrogen 3.020 N/A SER 76.A OG THR 44.A OG1 no hydrogen 2.933 N/A GLU 77.A N GLU 73.A O no hydrogen 3.265 N/A LEU 78.A N ARG 74.A O no hydrogen 3.207 N/A HIS 79.A N VAL 75.A O no hydrogen 3.156 N/A HIS 79.A ND1 GLU 36.A OE2 no hydrogen 2.793 N/A LEU 80.A N SER 76.A O no hydrogen 2.981 N/A GLU 81.A N LEU 78.A O no hydrogen 3.200 N/A VAL 82.A N LEU 78.A O no hydrogen 3.132 N/A VAL 82.A N HIS 79.A O no hydrogen 3.046 N/A LYS 83.A N HIS 79.A O no hydrogen 3.104 N/A ALA 84.A N LEU 80.A O no hydrogen 3.042 N/A SER 85.A N GLU 81.A O no hydrogen 3.040 N/A SER 85.A OG GLU 81.A O no hydrogen 3.082 N/A LEU 86.A N VAL 82.A O no hydrogen 2.809 N/A ASP 88.A N SER 85.A O no hydrogen 2.793 N/A ASP 89.A N SER 85.A O no hydrogen 3.105 N/A PHE 90.A N LEU 86.A O no hydrogen 2.734 N/A LYS 92.A N ASP 88.A O no hydrogen 3.051 N/A LYS 92.A NZ GLU 223.A OE1 no hydrogen 2.968 N/A LYS 92.A NZ GLU 227.A OE1 no hydrogen 3.181 N/A LYS 92.A NZ GLU 227.A OE2 no hydrogen 3.104 N/A ILE 93.A N ASP 89.A O no hydrogen 3.106 N/A LYS 94.A N PHE 90.A O no hydrogen 2.848 N/A ASN 95.A N GLU 91.A O no hydrogen 3.015 N/A ASN 95.A N LYS 92.A O no hydrogen 3.306 N/A TRP 96.A N LYS 92.A O no hydrogen 3.131 N/A GLN 97.A N ILE 93.A O no hydrogen 2.864 N/A GLU 99.A N ASN 95.A O no hydrogen 2.868 N/A ALA 100.A N LYS 98.A O no hydrogen 2.701 N/A PHE 101.A N GLN 97.A O no hydrogen 3.233 N/A PHE 101.A N LYS 98.A O no hydrogen 3.001 N/A GLN 104.A N GLY 106.A O no hydrogen 3.231 N/A LYS 108.A N HIS 102.A O no hydrogen 2.805 N/A THR 110.A N PHE 107.A O no hydrogen 2.802 N/A THR 110.A OG1 ASP 17.A OD1 no hydrogen 2.576 N/A LYS 111.A NZ GLN 104.A OE1 no hydrogen 3.325 N/A GLU 112.A N LYS 108.A O no hydrogen 3.444 N/A ALA 113.A N THR 110.A O no hydrogen 2.952 N/A GLU 114.A N THR 110.A O no hydrogen 2.644 N/A ASP 115.A N LYS 111.A O no hydrogen 2.670 N/A PHE 117.A N ALA 113.A O no hydrogen 2.728 N/A ARG 118.A N GLU 114.A O no hydrogen 2.948 N/A LYS 119.A N ASP 115.A O no hydrogen 2.767 N/A ALA 120.A N GLY 116.A O no hydrogen 3.082 N/A GLN 121.A N PHE 117.A O no hydrogen 2.777 N/A GLN 121.A N ARG 118.A O no hydrogen 3.084 N/A GLN 121.A NE2 TYR 201.A OH no hydrogen 2.932 N/A LYS 126.A N LYS 122.A O no hydrogen 2.804 N/A LYS 127.A N PRO 123.A O no hydrogen 3.472 N/A LYS 127.A NZ GLU 130.A OE1 no hydrogen 3.156 N/A LYS 127.A NZ GLU 130.A OE2 no hydrogen 3.047 N/A LYS 127.A NZ GLU 193.A OE1 no hydrogen 2.846 N/A LEU 128.A N TRP 124.A O no hydrogen 2.884 N/A LYS 129.A N ALA 125.A O no hydrogen 3.374 N/A LYS 129.A N LYS 126.A O no hydrogen 3.015 N/A GLU 130.A N LYS 126.A O no hydrogen 3.258 N/A VAL 131.A N LYS 127.A O no hydrogen 2.799 N/A GLU 132.A N LEU 128.A O no hydrogen 2.684 N/A ALA 133.A N LYS 129.A O no hydrogen 2.931 N/A ALA 134.A N GLU 130.A O no hydrogen 2.704 N/A LYS 135.A N GLU 132.A O no hydrogen 2.937 N/A LYS 136.A N GLU 132.A O no hydrogen 3.337 N/A HIS 139.A N LYS 135.A O no hydrogen 2.876 N/A ALA 140.A N ALA 137.A O no hydrogen 3.289 N/A ALA 141.A N HIS 138.A O no hydrogen 2.778 N/A CYS 142.A N HIS 138.A O no hydrogen 2.978 N/A CYS 142.A SG HIS 138.A O no hydrogen 3.154 N/A GLU 144.A N ALA 141.A O no hydrogen 3.188 N/A GLU 145.A N ALA 141.A O no hydrogen 3.367 N/A LEU 147.A N GLU 144.A O no hydrogen 3.369 N/A ALA 148.A N GLU 145.A O no hydrogen 2.881 N/A ILE 149.A N GLU 145.A O no hydrogen 2.820 N/A ARG 151.A N ALA 148.A O no hydrogen 2.661 N/A GLU 152.A N ALA 148.A O no hydrogen 3.266 N/A SER 155.A N GLU 152.A O no hydrogen 3.159 N/A LYS 156.A NZ GLU 152.A OE1 no hydrogen 3.433 N/A SER 160.A OG PRO 159.A O no hydrogen 2.717 N/A ASN 162.A ND2 GLN 165.A OE1 no hydrogen 2.662 N/A GLN 165.A N ASN 162.A O no hydrogen 2.578 N/A LEU 166.A N ASN 162.A O no hydrogen 3.351 N/A LYS 167.A N PRO 163.A O no hydrogen 2.831 N/A LYS 168.A N GLN 165.A O no hydrogen 3.027 N/A LEU 169.A N LEU 166.A O no hydrogen 3.245 N/A GLN 170.A N LEU 166.A O no hydrogen 3.284 N/A ASP 171.A N LYS 168.A O no hydrogen 2.911 N/A GLU 174.A N ASP 171.A O no hydrogen 2.974 N/A LYS 175.A N ASP 171.A O no hydrogen 2.649 N/A CYS 176.A N LYS 172.A O no hydrogen 3.260 N/A CYS 176.A SG LYS 172.A O no hydrogen 3.334 N/A GLN 178.A N GLU 174.A O no hydrogen 3.337 N/A GLN 178.A N LYS 175.A O no hydrogen 2.992 N/A ASP 179.A N LYS 175.A O no hydrogen 3.271 N/A ASP 179.A N CYS 176.A O no hydrogen 2.801 N/A VAL 180.A N CYS 176.A O no hydrogen 2.852 N/A THR 183.A N ASP 179.A O no hydrogen 2.679 N/A GLU 185.A N LYS 182.A O no hydrogen 2.737 N/A LYS 186.A N THR 183.A O no hydrogen 2.958 N/A TYR 187.A N THR 183.A O no hydrogen 3.103 N/A LYS 189.A N GLU 185.A O no hydrogen 3.230 N/A SER 190.A N LYS 186.A O no hydrogen 2.855 N/A SER 190.A OG LYS 186.A O no hydrogen 3.249 N/A LYS 192.A N LYS 189.A O no hydrogen 3.096 N/A GLU 193.A N LYS 189.A O no hydrogen 3.116 N/A LEU 194.A N SER 190.A O no hydrogen 2.816 N/A GLN 196.A N LYS 192.A O no hydrogen 3.010 N/A GLY 197.A N LEU 194.A O no hydrogen 3.277 N/A THR 198.A N LEU 194.A O no hydrogen 3.148 N/A THR 198.A OG1 LEU 194.A O no hydrogen 3.046 N/A GLN 200.A NE2 ASN 203.A OD1 no hydrogen 3.654 N/A TYR 201.A N GLY 197.A O no hydrogen 2.498 N/A TYR 201.A OH TRP 4.A O no hydrogen 3.135 N/A ASN 203.A N GLN 200.A O no hydrogen 3.111 N/A GLU 208.A N GLU 204.A O no hydrogen 3.361 N/A CYS 210.A N VAL 206.A O no hydrogen 3.109 N/A CYS 210.A SG VAL 206.A O no hydrogen 3.475 N/A GLN 211.A N PHE 207.A O no hydrogen 2.697 N/A GLN 212.A N GLU 208.A O no hydrogen 2.917 N/A GLN 212.A NE2 GLU 208.A O no hydrogen 3.274 N/A PHE 213.A N GLN 209.A O no hydrogen 2.983 N/A PHE 213.A N CYS 210.A O no hydrogen 3.157 N/A GLU 214.A N CYS 210.A O no hydrogen 2.963 N/A GLU 215.A N GLN 211.A O no hydrogen 2.763 N/A LYS 216.A N PHE 213.A O no hydrogen 2.765 N/A ARG 217.A N PHE 213.A O no hydrogen 3.320 N/A ARG 217.A NE GLU 214.A OE1 no hydrogen 3.177 N/A ARG 217.A NH2 GLU 214.A OE1 no hydrogen 3.557 N/A ARG 217.A NH2 GLU 214.A OE2 no hydrogen 3.025 N/A LEU 218.A N GLU 214.A O no hydrogen 2.846 N/A ARG 219.A N GLU 215.A O no hydrogen 3.113 N/A PHE 220.A N LYS 216.A O no hydrogen 3.043 N/A PHE 221.A N ARG 217.A O no hydrogen 2.964 N/A PHE 221.A N LEU 218.A O no hydrogen 2.952 N/A ARG 222.A N LEU 218.A O no hydrogen 3.190 N/A GLU 223.A N ARG 219.A O no hydrogen 3.073 N/A VAL 224.A N PHE 220.A O no hydrogen 2.932 N/A LEU 225.A N PHE 221.A O no hydrogen 2.804 N/A LEU 226.A N ARG 222.A O no hydrogen 3.290 N/A GLU 227.A N VAL 224.A O no hydrogen 3.238 N/A VAL 228.A N VAL 224.A O no hydrogen 3.093 N/A GLN 229.A N LEU 225.A O no hydrogen 2.929 N/A LYS 230.A N LEU 226.A O no hydrogen 3.328 N/A HIS 231.A N GLU 227.A O no hydrogen 3.098 N/A HIS 231.A ND1 ASP 89.A OD2 no hydrogen 2.951 N/A LEU 232.A N VAL 228.A O no hydrogen 2.997 N/A ASP 233.A N GLN 229.A O no hydrogen 3.301 N/A SER 235.A N ASP 233.A OD1 no hydrogen 2.742 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.952 N/A VAL 237.A N LEU 234.A O no hydrogen 3.170 N/A LYS 241.A N ALA 238.A O no hydrogen 2.890 N/A ALA 242.A N ALA 238.A O no hydrogen 3.395 N/A ILE 243.A N GLY 239.A O no hydrogen 3.043 N/A ILE 243.A N TYR 240.A O no hydrogen 3.177 N/A TYR 244.A OH GLU 71.A OE1 no hydrogen 2.911 N/A HIS 245.A N ALA 242.A O no hydrogen 3.367 N/A ASP 246.A N ALA 242.A O no hydrogen 3.102 N/A LEU 247.A N ILE 243.A O no hydrogen 2.981 N/A GLU 248.A N TYR 244.A O no hydrogen 3.315 N/A GLN 249.A N HIS 245.A O no hydrogen 2.821 N/A SER 250.A N ASP 246.A O no hydrogen 3.200 N/A SER 250.A OG ASP 246.A O no hydrogen 2.947 N/A ILE 251.A N LEU 247.A O no hydrogen 3.065 N/A ARG 252.A N GLU 248.A O no hydrogen 2.865 N/A ALA 253.A N GLN 249.A O no hydrogen 2.837 N/A ALA 254.A N ILE 251.A O no hydrogen 2.696 N/A ASP 255.A N THR 62.A OG1 no hydrogen 2.735 N/A GLU 258.A N ASP 255.A OD1 no hydrogen 2.602 N/A ASP 259.A N ASP 255.A O no hydrogen 2.973 N/A LEU 260.A N ALA 256.A O no hydrogen 2.850 N/A ARG 261.A N VAL 257.A O no hydrogen 3.188 N/A ARG 261.A NH1 VAL 257.A O no hydrogen 3.178 N/A TRP 262.A N GLU 258.A O no hydrogen 3.412 N/A PHE 263.A N ASP 259.A O no hydrogen 3.367 N/A ARG 264.A N LEU 260.A O no hydrogen 3.037 N/A ALA 265.A N ARG 261.A O no hydrogen 2.979 N/A ASN 266.A N TRP 262.A O no hydrogen 2.917 N/A ASN 266.A N PHE 263.A O no hydrogen 3.149 N/A HIS 267.A N PHE 263.A O no hydrogen 2.658 N/A GLY 268.A N PHE 263.A O no hydrogen 2.973 N/A