Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1alq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 256.A O no hydrogen 2.560 N/A VAL 5.A N LEU 58.A O no hydrogen 2.750 N/A LEU 6.A N ALA 254.A O no hydrogen 2.672 N/A VAL 7.A N TYR 56.A O no hydrogen 2.713 N/A ILE 8.A N ASP 252.A O no hydrogen 3.031 N/A PHE 9.A N GLY 54.A O no hydrogen 2.979 N/A THR 10.A N ARG 250.A O no hydrogen 2.874 N/A THR 10.A OG1 ARG 250.A O no hydrogen 2.678 N/A ASN 11.A N HIS 52.A O no hydrogen 3.132 N/A LYS 12.A N TYR 247.A O no hydrogen 2.955 N/A LYS 12.A NZ TYR 49.A O no hydrogen 3.149 N/A ASN 14.A N ASP 17.A OD2 no hydrogen 2.883 N/A ASN 14.A ND2 ASP 17.A OD2 no hydrogen 3.483 N/A ASP 17.A N ASN 14.A O no hydrogen 2.890 N/A LYS 22.A N ASN 20.A OD1 no hydrogen 3.130 N/A LYS 22.A NZ ASP 229.A OD2 no hydrogen 3.073 N/A LEU 23.A N ASN 20.A O no hydrogen 2.962 N/A ILE 24.A N ASP 21.A O no hydrogen 2.829 N/A SER 25.A N ASP 21.A O no hydrogen 3.260 N/A SER 25.A OG ASP 229.A OD2 no hydrogen 2.500 N/A GLU 26.A N LYS 22.A O no hydrogen 2.897 N/A THR 27.A N LEU 23.A O no hydrogen 2.935 N/A THR 27.A OG1 LEU 23.A O no hydrogen 2.829 N/A ALA 28.A N ILE 24.A O no hydrogen 2.787 N/A LYS 29.A N SER 25.A O no hydrogen 2.945 N/A LYS 29.A NZ GLY 230.A O no hydrogen 3.029 N/A SER 30.A N GLU 26.A O no hydrogen 3.213 N/A SER 30.A OG LYS 40.A O no hydrogen 2.790 N/A VAL 31.A N THR 27.A O no hydrogen 3.026 N/A MET 32.A N ALA 28.A O no hydrogen 2.937 N/A GLU 34.A N VAL 31.A O no hydrogen 2.976 N/A PHE 35.A N MET 32.A O no hydrogen 2.902 N/A LEU 45.A N GLU 41.A O no hydrogen 3.135 N/A GLU 46.A N LEU 42.A O no hydrogen 2.824 N/A LYS 47.A N ASN 43.A O no hydrogen 2.997 N/A LYS 48.A N ASP 44.A O no hydrogen 2.716 N/A LYS 48.A NZ GLU 26.A OE2 no hydrogen 2.997 N/A TYR 49.A N LEU 45.A O no hydrogen 2.994 N/A TYR 49.A OH GLU 26.A OE2 no hydrogen 2.660 N/A ASN 50.A N LYS 47.A O no hydrogen 3.439 N/A ALA 51.A N GLU 46.A O no hydrogen 3.151 N/A HIS 52.A N ASN 11.A O no hydrogen 2.868 N/A HIS 52.A NE2 ASP 13.A OD1 no hydrogen 2.496 N/A ILE 53.A N GLU 46.A OE2 no hydrogen 2.963 N/A GLY 54.A N PHE 9.A O no hydrogen 2.939 N/A VAL 55.A N PHE 68.A O no hydrogen 2.654 N/A TYR 56.A N VAL 7.A O no hydrogen 3.057 N/A TYR 56.A OH GLU 65.A OE2 no hydrogen 2.580 N/A ALA 57.A N VAL 66.A O no hydrogen 3.024 N/A LEU 58.A N VAL 5.A O no hydrogen 2.988 N/A ASP 59.A N LYS 64.A O no hydrogen 2.881 N/A THR 60.A N PRO 3.A O no hydrogen 3.288 N/A THR 60.A OG1 PRO 3.A O no hydrogen 2.811 N/A LYS 61.A N ASP 59.A OD1 no hydrogen 3.058 N/A GLY 63.A N ASP 59.A O no hydrogen 2.701 N/A LYS 64.A N SER 62.A OG no hydrogen 2.730 N/A LYS 64.A NZ GLU 34.A O no hydrogen 3.141 N/A LYS 64.A NZ GLU 34.A OE1 no hydrogen 3.442 N/A VAL 66.A N ALA 57.A O no hydrogen 2.830 N/A PHE 68.A N VAL 55.A O no hydrogen 3.140 N/A ASN 69.A ND2 ILE 53.A O no hydrogen 2.700 N/A LYS 72.A N ASN 69.A O no hydrogen 3.118 N/A ARG 73.A NH1 VAL 165.A O no hydrogen 2.731 N/A PHE 74.A N SER 187.A O no hydrogen 2.897 N/A TYR 76.A N ASP 185.A O no hydrogen 3.469 N/A SER 78.A OG SER 136.A OG no hydrogen 3.197 N/A THR 79.A N TYR 76.A O no hydrogen 3.172 N/A THR 79.A OG1 TYR 76.A O no hydrogen 2.690 N/A SER 80.A N ALA 77.A O no hydrogen 3.263 N/A SER 80.A OG ALA 77.A O no hydrogen 3.007 N/A LYS 81.A N SER 78.A O no hydrogen 3.064 N/A LYS 81.A NZ SER 78.A OG no hydrogen 2.498 N/A LYS 81.A NZ ASN 138.A OD1 no hydrogen 2.789 N/A LYS 81.A NZ GLU 172.A OE2 no hydrogen 2.807 N/A ALA 82.A N THR 79.A O no hydrogen 3.176 N/A ASN 84.A N SER 80.A O no hydrogen 2.889 N/A ASN 84.A ND2 ASN 141.A OD1 no hydrogen 2.926 N/A SER 85.A N LYS 81.A O no hydrogen 3.011 N/A SER 85.A OG LYS 81.A O no hydrogen 3.107 N/A ALA 86.A N ALA 82.A O no hydrogen 3.021 N/A ILE 87.A N ILE 83.A O no hydrogen 3.041 N/A LEU 88.A N ASN 84.A O no hydrogen 3.254 N/A LEU 89.A N SER 85.A O no hydrogen 2.936 N/A GLU 90.A N ALA 86.A O no hydrogen 2.975 N/A GLU 90.A N ILE 87.A O no hydrogen 3.291 N/A GLN 91.A N LEU 88.A O no hydrogen 3.107 N/A GLN 91.A NE2 ILE 87.A O no hydrogen 3.387 N/A LYS 96.A N PRO 93.A O no hydrogen 2.733 N/A LEU 97.A N TYR 94.A O no hydrogen 3.227 N/A LYS 99.A N LYS 96.A O no hydrogen 3.295 N/A VAL 101.A N ILE 123.A O no hydrogen 2.889 N/A HIS 102.A ND1 ASP 122.A OD1 no hydrogen 2.962 N/A ILE 103.A N LYS 121.A O no hydrogen 2.850 N/A ASN 104.A N ASP 107.A OD2 no hydrogen 2.953 N/A ASP 106.A N ASN 104.A OD1 no hydrogen 3.040 N/A ASP 107.A N ASN 104.A O no hydrogen 2.845 N/A ILE 108.A N LYS 105.A O no hydrogen 3.415 N/A VAL 109.A N THR 139.A OG1 no hydrogen 3.126 N/A SER 112.A OG VAL 109.A O no hydrogen 2.628 N/A SER 112.A OG THR 139.A OG1 no hydrogen 3.424 N/A ILE 114.A N ASP 137.A OD2 no hydrogen 2.886 N/A LEU 115.A N ASP 137.A OD2 no hydrogen 2.735 N/A GLU 116.A N SER 112.A O no hydrogen 2.907 N/A LYS 117.A N ILE 114.A O no hydrogen 3.212 N/A TYR 118.A N LEU 115.A O no hydrogen 2.842 N/A GLY 120.A N ILE 103.A O no hydrogen 2.588 N/A LYS 121.A N TYR 118.A O no hydrogen 2.728 N/A ILE 123.A N VAL 101.A O no hydrogen 2.793 N/A LEU 125.A N LYS 99.A O no hydrogen 3.022 N/A LYS 126.A N LEU 97.A O no hydrogen 3.056 N/A LYS 126.A NZ GLU 130.A OE2 no hydrogen 2.982 N/A LEU 128.A N THR 124.A O no hydrogen 3.066 N/A ILE 129.A N LEU 125.A O no hydrogen 3.037 N/A GLU 130.A N LYS 126.A O no hydrogen 2.895 N/A ALA 131.A N ALA 127.A O no hydrogen 2.798 N/A SER 132.A N LEU 128.A O no hydrogen 2.898 N/A MET 133.A N ILE 129.A O no hydrogen 2.917 N/A THR 134.A N GLU 130.A O no hydrogen 2.857 N/A THR 134.A OG1 GLU 130.A O no hydrogen 3.454 N/A TYR 135.A N ALA 131.A O no hydrogen 3.304 N/A ASP 137.A N ALA 131.A O no hydrogen 3.044 N/A ASN 138.A N TYR 111.A O no hydrogen 3.210 N/A ASN 138.A ND2 ALA 110.A O no hydrogen 2.991 N/A THR 139.A N SER 112.A OG no hydrogen 3.312 N/A THR 139.A OG1 ASP 107.A O no hydrogen 3.181 N/A THR 139.A OG1 SER 112.A OG no hydrogen 3.424 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.867 N/A ASN 141.A N ASP 137.A O no hydrogen 3.248 N/A ASN 142.A N ASN 138.A O no hydrogen 3.074 N/A ASN 142.A ND2 GLU 172.A O no hydrogen 3.156 N/A LYS 143.A N THR 139.A O no hydrogen 2.931 N/A ILE 144.A N ALA 140.A O no hydrogen 2.929 N/A ILE 145.A N ASN 141.A O no hydrogen 2.959 N/A LYS 146.A N ASN 142.A O no hydrogen 3.017 N/A GLU 147.A N LYS 143.A O no hydrogen 2.711 N/A ILE 148.A N ILE 144.A O no hydrogen 3.082 N/A GLY 149.A N LYS 146.A O no hydrogen 2.992 N/A GLY 150.A N ILE 145.A O no hydrogen 2.890 N/A LYS 153.A N GLY 150.A O no hydrogen 2.958 N/A VAL 154.A N GLY 150.A O no hydrogen 3.168 N/A LYS 155.A N ILE 151.A O no hydrogen 2.965 N/A LYS 155.A NZ ASN 167.A OD1 no hydrogen 3.176 N/A GLN 156.A N LYS 152.A O no hydrogen 3.123 N/A ARG 157.A N LYS 153.A O no hydrogen 3.031 N/A ARG 157.A N VAL 154.A O no hydrogen 2.873 N/A ARG 157.A NE GLU 90.A OE1 no hydrogen 2.967 N/A ARG 157.A NH1 GLU 160.A OE1 no hydrogen 2.996 N/A ARG 157.A NH2 GLU 90.A OE2 no hydrogen 2.793 N/A LEU 158.A N VAL 154.A O no hydrogen 2.915 N/A LYS 159.A N LYS 155.A O no hydrogen 3.206 N/A GLU 160.A N GLN 156.A O no hydrogen 3.154 N/A LEU 161.A N ARG 157.A O no hydrogen 3.003 N/A LEU 161.A N LEU 158.A O no hydrogen 2.887 N/A GLY 162.A N LYS 159.A O no hydrogen 2.747 N/A ASP 163.A N LEU 158.A O no hydrogen 2.796 N/A VAL 165.A N ASP 163.A OD1 no hydrogen 2.838 N/A THR 166.A N ASP 163.A OD1 no hydrogen 2.733 N/A THR 166.A OG1 ASP 163.A OD1 no hydrogen 3.284 N/A THR 166.A OG1 ASP 163.A OD2 no hydrogen 2.486 N/A THR 166.A OG1 SER 187.A OG no hydrogen 2.559 N/A ASN 167.A N THR 186.A O no hydrogen 2.986 N/A ASN 167.A ND2 LYS 183.A O no hydrogen 3.122 N/A VAL 169.A N ASP 185.A OD1 no hydrogen 2.847 N/A ARG 170.A N ASP 185.A OD1 no hydrogen 2.854 N/A ARG 170.A NE ASP 185.A OD2 no hydrogen 2.695 N/A ARG 170.A NH1 TYR 177.A O no hydrogen 3.136 N/A ARG 170.A NH2 TYR 177.A O no hydrogen 2.879 N/A ARG 170.A NH2 ASP 185.A OD2 no hydrogen 3.075 N/A GLU 172.A N ASN 142.A OD1 no hydrogen 3.153 N/A LEU 175.A N TYR 171.A O no hydrogen 3.052 N/A ASN 176.A N ILE 173.A O no hydrogen 2.925 N/A ASN 176.A ND2 GLU 172.A OE1 no hydrogen 2.914 N/A ASN 176.A ND2 ILE 173.A O no hydrogen 2.843 N/A TYR 177.A N GLU 174.A O no hydrogen 3.066 N/A LYS 181.A N SER 179.A OG no hydrogen 3.206 N/A SER 182.A N SER 179.A O no hydrogen 2.883 N/A LYS 184.A N SER 182.A OG no hydrogen 3.179 N/A LYS 184.A NZ SER 182.A OG no hydrogen 3.388 N/A ASP 185.A N ASN 167.A O no hydrogen 3.006 N/A THR 186.A OG1 LYS 183.A O no hydrogen 2.554 N/A SER 187.A N PHE 74.A O no hydrogen 2.979 N/A SER 187.A OG THR 166.A OG1 no hydrogen 2.559 N/A THR 188.A OG1 SER 70.A O no hydrogen 3.521 N/A ALA 190.A N SER 70.A O no hydrogen 3.145 N/A PHE 192.A N THR 188.A O no hydrogen 2.971 N/A GLY 193.A N PRO 189.A O no hydrogen 2.836 N/A LYS 194.A N ALA 190.A O no hydrogen 2.731 N/A THR 195.A N ALA 191.A O no hydrogen 2.857 N/A THR 195.A OG1 ASP 163.A OD2 no hydrogen 2.639 N/A THR 195.A OG1 ALA 191.A O no hydrogen 3.257 N/A LEU 196.A N PHE 192.A O no hydrogen 2.871 N/A ASN 197.A N GLY 193.A O no hydrogen 3.036 N/A LYS 198.A N LYS 194.A O no hydrogen 3.018 N/A LYS 198.A NZ LEU 161.A O no hydrogen 2.498 N/A LEU 199.A N THR 195.A O no hydrogen 2.960 N/A ILE 200.A N LEU 196.A O no hydrogen 3.140 N/A ASN 202.A N ASN 197.A O no hydrogen 2.717 N/A ASN 202.A ND2 ASN 197.A OD1 no hydrogen 2.735 N/A ASN 209.A N SER 206.A OG no hydrogen 3.257 N/A ASN 209.A ND2 LEU 89.A O no hydrogen 3.018 N/A ASN 209.A ND2 VAL 92.A O no hydrogen 2.923 N/A LYS 210.A N SER 206.A O no hydrogen 2.925 N/A LYS 210.A NZ ILE 200.A O no hydrogen 3.153 N/A LYS 210.A NZ ALA 201.A O no hydrogen 2.494 N/A LYS 211.A N LYS 207.A O no hydrogen 2.892 N/A PHE 212.A N GLU 208.A O no hydrogen 2.795 N/A LEU 213.A N ASN 209.A O no hydrogen 2.822 N/A LEU 214.A N LYS 210.A O no hydrogen 2.947 N/A ASP 215.A N LYS 211.A O no hydrogen 2.901 N/A LEU 216.A N PHE 212.A O no hydrogen 3.247 N/A MET 217.A N LEU 213.A O no hydrogen 3.174 N/A LEU 218.A N LEU 214.A O no hydrogen 2.783 N/A ASN 219.A N ASP 215.A O no hydrogen 3.034 N/A ASN 220.A ND2 ASP 239.A O no hydrogen 3.255 N/A ASN 220.A ND2 ASP 239.A OD1 no hydrogen 3.295 N/A LYS 221.A NZ ASP 224.A OD1 no hydrogen 3.396 N/A LYS 221.A NZ ASP 224.A OD2 no hydrogen 2.497 N/A SER 222.A N ASN 220.A OD1 no hydrogen 3.044 N/A SER 222.A OG ASN 220.A OD1 no hydrogen 2.917 N/A ASP 224.A N LYS 221.A O no hydrogen 3.075 N/A THR 225.A OG1 ASP 21.A OD2 no hydrogen 2.575 N/A LEU 226.A N GLY 223.A O no hydrogen 2.887 N/A ILE 227.A N ASP 252.A OD2 no hydrogen 3.002 N/A LYS 228.A NZ MET 217.A O no hydrogen 3.238 N/A LYS 228.A NZ ASN 220.A O no hydrogen 3.437 N/A LYS 228.A NZ VAL 237.A O no hydrogen 3.156 N/A ASP 229.A N LEU 226.A O no hydrogen 2.796 N/A GLY 230.A N ILE 227.A O no hydrogen 2.983 N/A VAL 231.A N ILE 227.A O no hydrogen 3.091 N/A TYR 235.A N PRO 232.A O no hydrogen 3.000 N/A LYS 236.A N TYR 257.A O no hydrogen 2.810 N/A ALA 238.A N PHE 255.A O no hydrogen 2.978 N/A ASP 239.A N MET 217.A O no hydrogen 3.036 N/A LYS 240.A N VAL 253.A O no hydrogen 3.011 N/A LYS 240.A NZ SER 241.A O no hydrogen 2.710 N/A GLY 242.A N ASN 251.A O no hydrogen 2.963 N/A ALA 244.A N SER 249.A O no hydrogen 2.862 N/A ILE 245.A N ASN 176.A O no hydrogen 2.783 N/A THR 246.A OG1 TYR 178.A O no hydrogen 2.620 N/A TYR 247.A N LYS 15.A O no hydrogen 2.932 N/A SER 249.A N THR 246.A O no hydrogen 3.340 N/A SER 249.A OG THR 246.A O no hydrogen 2.785 N/A ARG 250.A N THR 10.A O no hydrogen 3.065 N/A ARG 250.A NE ASP 21.A OD1 no hydrogen 2.767 N/A ARG 250.A NH1 GLY 242.A O no hydrogen 3.324 N/A ARG 250.A NH2 ASP 21.A OD2 no hydrogen 2.984 N/A ASN 251.A N GLY 242.A O no hydrogen 2.985 N/A ASN 251.A ND2 ALA 75.A O no hydrogen 2.778 N/A ASN 251.A ND2 TYR 76.A O no hydrogen 3.190 N/A ASP 252.A N ILE 8.A O no hydrogen 2.983 N/A VAL 253.A N LYS 240.A O no hydrogen 3.066 N/A ALA 254.A N LEU 6.A O no hydrogen 2.841 N/A PHE 255.A N ALA 238.A O no hydrogen 3.074 N/A VAL 256.A N ILE 4.A O no hydrogen 2.814 N/A TYR 257.A N LYS 236.A O no hydrogen 2.896 N/A