Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7up7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ASP 76.A OD2 no hydrogen 2.953 N/A GLN 7.A N SER 3.A O no hydrogen 3.314 N/A GLN 7.A N PRO 4.A O no hydrogen 3.236 N/A GLN 7.A NE2 ASP 2.A O no hydrogen 2.400 N/A HIS 8.A N PHE 5.A O no hydrogen 3.001 N/A HIS 8.A ND1 PRO 4.A O no hydrogen 3.051 N/A TYR 9.A N PHE 5.A O no hydrogen 2.944 N/A TYR 9.A OH GLU 72.A OE1 no hydrogen 2.406 N/A ASP 10.A N VAL 30.A O no hydrogen 2.902 N/A ASP 12.A N LYS 28.A O no hydrogen 3.188 N/A LYS 14.A N ASP 12.A OD1 no hydrogen 2.995 N/A ASP 15.A N ASP 12.A OD1 no hydrogen 3.133 N/A LEU 18.A N CYS 26.A O no hydrogen 2.590 N/A GLY 19.A N CYS 26.A O no hydrogen 3.371 N/A GLY 21.A N SER 24.A O no hydrogen 2.878 N/A SER 24.A OG SER 22.A O no hydrogen 3.181 N/A ILE 25.A N ILE 42.A O no hydrogen 2.970 N/A CYS 26.A N GLY 19.A O no hydrogen 2.773 N/A ARG 27.A N VAL 40.A O no hydrogen 3.077 N/A CYS 29.A N PHE 38.A O no hydrogen 2.729 N/A CYS 29.A SG PHE 38.A O no hydrogen 3.583 N/A VAL 30.A N ASP 10.A O no hydrogen 3.095 N/A HIS 31.A N GLN 36.A O no hydrogen 2.884 N/A HIS 31.A ND1 SER 34.A OG no hydrogen 2.664 N/A LYS 32.A N HIS 8.A O no hydrogen 2.800 N/A LYS 32.A NZ ASP 10.A OD1 no hydrogen 2.947 N/A SER 34.A N HIS 31.A ND1 no hydrogen 2.987 N/A SER 34.A OG HIS 31.A ND1 no hydrogen 2.664 N/A ASN 35.A N HIS 31.A O no hydrogen 2.658 N/A GLN 36.A N SER 34.A OG no hydrogen 3.414 N/A PHE 38.A N CYS 29.A O no hydrogen 2.813 N/A ALA 39.A N MET 84.A O no hydrogen 2.958 N/A VAL 40.A N ARG 27.A O no hydrogen 2.950 N/A LYS 41.A N LEU 82.A O no hydrogen 2.866 N/A LYS 41.A NZ GLU 54.A OE1 no hydrogen 2.930 N/A LYS 41.A NZ GLU 54.A OE2 no hydrogen 2.746 N/A LYS 41.A NZ ASP 147.A OD1 no hydrogen 3.391 N/A ILE 42.A N ILE 25.A O no hydrogen 2.860 N/A ILE 43.A N THR 80.A O no hydrogen 3.022 N/A SER 44.A N PHE 23.A O no hydrogen 2.831 N/A LYS 45.A N LEU 78.A O no hydrogen 2.823 N/A LYS 45.A NZ HIS 75.A ND1 no hydrogen 2.972 N/A LYS 45.A NZ ASP 76.A O no hydrogen 3.196 N/A LYS 45.A NZ HIS 79.A O no hydrogen 3.164 N/A LYS 45.A NZ THR 80.A OG1 no hydrogen 2.618 N/A ARG 46.A N SER 44.A OG no hydrogen 2.981 N/A MET 47.A N SER 44.A O no hydrogen 3.144 N/A GLU 48.A N LYS 45.A O no hydrogen 2.947 N/A ASN 50.A ND2 GLY 149.A O no hydrogen 2.872 N/A THR 51.A N MET 47.A O no hydrogen 2.937 N/A THR 51.A OG1 MET 47.A O no hydrogen 3.046 N/A GLN 52.A N GLU 48.A O no hydrogen 2.896 N/A GLN 52.A NE2 GLU 48.A OE2 no hydrogen 2.963 N/A LYS 53.A N ALA 49.A O no hydrogen 3.270 N/A LYS 53.A NZ ASN 50.A OD1 no hydrogen 3.082 N/A LYS 53.A NZ ALA 151.A O no hydrogen 2.624 N/A GLU 54.A N ASN 50.A O no hydrogen 2.932 N/A ILE 55.A N THR 51.A O no hydrogen 2.840 N/A THR 56.A N GLN 52.A O no hydrogen 2.916 N/A THR 56.A OG1 GLN 52.A O no hydrogen 2.843 N/A ALA 57.A N LYS 53.A O no hydrogen 2.876 N/A LEU 58.A N GLU 54.A O no hydrogen 2.907 N/A LYS 59.A N ILE 55.A O no hydrogen 2.894 N/A LEU 60.A N THR 56.A O no hydrogen 2.958 N/A CYS 61.A N ALA 57.A O no hydrogen 3.167 N/A CYS 61.A SG ALA 57.A O no hydrogen 3.257 N/A GLU 62.A N LYS 59.A O no hydrogen 3.216 N/A HIS 64.A N CYS 61.A O no hydrogen 3.341 N/A HIS 64.A NE2 SER 116.A OG no hydrogen 2.900 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 3.110 N/A ASN 66.A ND2 GLU 142.A OE1 no hydrogen 2.871 N/A ASN 66.A ND2 ILE 143.A O no hydrogen 2.907 N/A ILE 67.A N HIS 64.A O no hydrogen 3.223 N/A VAL 68.A N ILE 145.A O no hydrogen 2.884 N/A LYS 69.A N GLU 85.A OE2 no hydrogen 3.015 N/A HIS 71.A N VAL 83.A O no hydrogen 2.715 N/A GLU 72.A N VAL 83.A O no hydrogen 3.255 N/A PHE 74.A N PHE 81.A O no hydrogen 2.846 N/A ASP 76.A N HIS 79.A O no hydrogen 3.075 N/A LEU 78.A N ASP 76.A OD1 no hydrogen 2.676 N/A HIS 79.A N ASP 76.A OD1 no hydrogen 2.769 N/A THR 80.A N ILE 43.A O no hydrogen 2.796 N/A THR 80.A OG1 GLU 48.A OE1 no hydrogen 2.570 N/A THR 80.A OG1 GLU 48.A OE2 no hydrogen 3.400 N/A PHE 81.A N PHE 74.A O no hydrogen 2.819 N/A LEU 82.A N LYS 41.A O no hydrogen 2.976 N/A VAL 83.A N GLU 72.A O no hydrogen 2.773 N/A MET 84.A N ALA 39.A O no hydrogen 2.641 N/A GLU 85.A N LYS 69.A O no hydrogen 3.262 N/A ASN 88.A N THR 139.A O no hydrogen 3.413 N/A GLY 89.A N PHE 138.A O no hydrogen 2.806 N/A LEU 92.A N LEU 136.A O no hydrogen 2.713 N/A ARG 95.A N GLU 91.A O no hydrogen 3.044 N/A ARG 95.A NE GLY 89.A O no hydrogen 3.006 N/A ILE 96.A N LEU 92.A O no hydrogen 3.053 N/A LYS 97.A N PHE 93.A O no hydrogen 2.924 N/A LYS 98.A N GLU 94.A O no hydrogen 3.250 N/A LYS 98.A N ARG 95.A O no hydrogen 3.226 N/A LYS 99.A N ILE 96.A O no hydrogen 3.035 N/A THR 105.A OG1 SER 246.A O no hydrogen 3.314 N/A GLU 106.A N SER 103.A OG no hydrogen 3.350 N/A ALA 107.A N SER 103.A O no hydrogen 3.005 N/A SER 108.A N GLU 104.A O no hydrogen 2.722 N/A SER 108.A OG TRP 238.A O no hydrogen 2.654 N/A TYR 109.A N THR 105.A O no hydrogen 3.204 N/A ILE 110.A N GLU 106.A O no hydrogen 3.134 N/A MET 111.A N ALA 107.A O no hydrogen 2.850 N/A ARG 112.A N SER 108.A O no hydrogen 2.704 N/A ARG 112.A NH1.A LEU 239.A O no hydrogen 3.093 N/A ARG 112.A NH1.B SER 108.A OG no hydrogen 3.367 N/A ARG 112.A NH1.B LEU 239.A O no hydrogen 3.128 N/A LEU 114.A N ILE 110.A O no hydrogen 3.041 N/A VAL 115.A N MET 111.A O no hydrogen 2.799 N/A SER 116.A N ARG 112.A O no hydrogen 2.936 N/A SER 116.A OG HIS 64.A NE2 no hydrogen 2.900 N/A ALA 117.A N LYS 113.A O no hydrogen 2.793 N/A VAL 118.A N LEU 114.A O no hydrogen 2.887 N/A SER 119.A N VAL 115.A O no hydrogen 2.897 N/A HIS 120.A N SER 116.A O no hydrogen 3.111 N/A MET 121.A N ALA 117.A O no hydrogen 3.002 N/A HIS 122.A N VAL 118.A O no hydrogen 3.152 N/A HIS 122.A NE2 ASP 161.A OD2 no hydrogen 3.036 N/A ASP 123.A N SER 119.A O no hydrogen 2.852 N/A VAL 124.A N HIS 120.A O no hydrogen 3.105 N/A VAL 124.A N MET 121.A O no hydrogen 3.029 N/A GLY 125.A N HIS 122.A O no hydrogen 3.280 N/A VAL 126.A N MET 121.A O no hydrogen 2.861 N/A VAL 127.A N ARG 152.A O no hydrogen 3.162 N/A HIS 128.A N ASP 161.A OD2 no hydrogen 2.714 N/A HIS 128.A NE2 ILE 146.A O no hydrogen 2.861 N/A ARG 129.A N ASP 161.A OD1 no hydrogen 2.762 N/A ARG 129.A NE PHE 150.A O no hydrogen 3.099 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.072 N/A LYS 132.A N ASP 130.A O no hydrogen 2.742 N/A LYS 132.A NZ ASP 130.A OD2 no hydrogen 3.393 N/A ASN 135.A N LYS 132.A O no hydrogen 2.977 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.808 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 3.323 N/A LEU 136.A N PRO 133.A O no hydrogen 3.073 N/A LEU 137.A N LYS 144.A O no hydrogen 3.047 N/A PHE 138.A N GLY 90.A O no hydrogen 2.875 N/A THR 139.A N GLU 142.A O no hydrogen 3.050 N/A LYS 144.A N LEU 137.A O no hydrogen 2.784 N/A LYS 144.A NZ PRO 65.A O no hydrogen 3.294 N/A LYS 144.A NZ GLU 85.A OE2 no hydrogen 2.917 N/A ILE 145.A N ASN 66.A O no hydrogen 2.829 N/A ILE 146.A N ASN 135.A O no hydrogen 3.103 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.296 N/A ALA 151.A N PHE 148.A O no hydrogen 3.308 N/A ARG 152.A N VAL 127.A O no hydrogen 3.140 N/A LYS 154.A N GLY 125.A O no hydrogen 2.839 N/A SER 159.A OG TYR 156.A O no hydrogen 2.690 N/A CYS 160.A N ASP 157.A O no hydrogen 3.242 N/A LEU 162.A N GLU 158.A O no hydrogen 3.412 N/A TRP 163.A N SER 159.A O no hydrogen 2.866 N/A SER 164.A N CYS 160.A O no hydrogen 3.093 N/A SER 164.A OG CYS 160.A O no hydrogen 3.025 N/A LEU 165.A N ASP 161.A O no hydrogen 3.027 N/A GLY 166.A N LEU 162.A O no hydrogen 3.104 N/A VAL 167.A N TRP 163.A O no hydrogen 3.052 N/A ILE 168.A N SER 164.A O no hydrogen 2.806 N/A LEU 169.A N LEU 165.A O no hydrogen 2.876 N/A TYR 170.A N GLY 166.A O no hydrogen 2.842 N/A TYR 170.A OH SER 199.A O no hydrogen 2.296 N/A THR 171.A N VAL 167.A O no hydrogen 3.224 N/A THR 171.A OG1 VAL 167.A O no hydrogen 3.368 N/A THR 171.A OG1 GLN 176.A O no hydrogen 3.198 N/A MET 172.A N ILE 168.A O no hydrogen 3.075 N/A LEU 173.A N LEU 169.A O no hydrogen 3.070 N/A SER 174.A N THR 171.A O no hydrogen 3.273 N/A SER 174.A OG TYR 170.A O no hydrogen 3.051 N/A GLY 175.A N THR 171.A O no hydrogen 2.573 N/A GLN 176.A N SER 174.A OG no hydrogen 3.174 N/A GLN 180.A NE2 PRO 178.A O no hydrogen 3.130 N/A CYS 183.A SG GLN 180.A OE1 no hydrogen 4.008 N/A THR 184.A N GLN 180.A OE1 no hydrogen 3.393 N/A THR 184.A OG1 GLN 180.A OE1 no hydrogen 3.253 N/A ILE 189.A N SER 185.A O no hydrogen 2.919 N/A MET 190.A N ALA 186.A O no hydrogen 2.863 N/A LYS 191.A N VAL 187.A O no hydrogen 3.180 N/A LYS 192.A N GLU 188.A O no hydrogen 3.109 N/A ILE 193.A N ILE 189.A O no hydrogen 3.046 N/A LYS 194.A N MET 190.A O no hydrogen 2.992 N/A LYS 195.A N LYS 191.A O no hydrogen 3.283 N/A GLY 196.A N ILE 193.A O no hydrogen 3.090 N/A ASP 197.A N LYS 192.A O no hydrogen 2.650 N/A PHE 198.A N GLY 196.A O no hydrogen 3.120 N/A TRP 205.A N GLY 202.A O no hydrogen 3.356 N/A LYS 206.A N GLU 203.A O no hydrogen 3.258 N/A VAL 208.A N TRP 205.A O no hydrogen 3.378 N/A SER 209.A N GLU 104.A OE2 no hydrogen 2.721 N/A SER 209.A OG GLU 104.A OE1 no hydrogen 2.907 N/A SER 209.A OG GLU 211.A OE1 no hydrogen 3.415 N/A GLN 210.A NE2 ASP 214.A OD1 no hydrogen 2.862 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.681 N/A ALA 212.A N SER 209.A OG no hydrogen 3.130 N/A LYS 213.A N SER 209.A O no hydrogen 3.283 N/A LYS 213.A NZ TRP 205.A O no hydrogen 2.677 N/A ASP 214.A N GLN 210.A O no hydrogen 2.757 N/A LEU 215.A N GLU 211.A O no hydrogen 2.969 N/A ILE 216.A N ALA 212.A O no hydrogen 3.066 N/A GLN 217.A N LYS 213.A O no hydrogen 2.911 N/A GLY 218.A N ASP 214.A O no hydrogen 3.077 N/A LEU 219.A N LEU 215.A O no hydrogen 3.301 N/A LEU 219.A N ILE 216.A O no hydrogen 3.250 N/A LEU 220.A N ILE 216.A O no hydrogen 3.000 N/A LEU 220.A N GLN 217.A O no hydrogen 3.332 N/A THR 221.A N GLN 217.A O no hydrogen 3.075 N/A ASN 225.A N ASP 223.A OD1 no hydrogen 2.999 N/A LYS 226.A N ASP 223.A O no hydrogen 2.972 N/A ARG 227.A N ASP 223.A O no hydrogen 2.705 N/A ARG 227.A NH1 LEU 219.A O no hydrogen 3.370 N/A LEU 228.A N GLY 218.A O no hydrogen 2.797 N/A GLY 232.A N LYS 229.A O no hydrogen 3.061 N/A LEU 233.A N LYS 229.A O no hydrogen 2.869 N/A ARG 234.A N MET 230.A O no hydrogen 3.288 N/A ARG 234.A NE SER 231.A O no hydrogen 3.358 N/A TYR 235.A N GLY 232.A O no hydrogen 2.876 N/A ASN 236.A N LEU 233.A O no hydrogen 3.336 N/A GLU 237.A N GLU 237.A OE2 no hydrogen 2.615 N/A TRP 238.A N ASN 236.A OD1 no hydrogen 2.684 N/A TRP 238.A NE1 GLU 104.A OE1 no hydrogen 2.758 N/A LEU 239.A N ASN 236.A O no hydrogen 3.183 N/A GLN 240.A N GLU 237.A O no hydrogen 3.408 N/A GLN 240.A NE2 ARG 234.A O no hydrogen 2.951 N/A GLN 240.A NE2 ASN 236.A O no hydrogen 3.083 N/A SER 243.A N GLN 240.A O no hydrogen 3.216 N/A SER 243.A OG GLU 237.A O no hydrogen 2.806 N/A ASN 248.A N SER 246.A OG no hydrogen 2.897 N/A LEU 250.A N PHE 102.A O no hydrogen 2.802 N/A THR 252.A OG1 MET 172.A O no hydrogen 2.778 N/A ILE 255.A N MET 251.A O no hydrogen 3.132 N/A LEU 256.A N THR 252.A O no hydrogen 2.955 N/A GLY 257.A N PRO 253.A O no hydrogen 2.911 N/A SER 258.A N ASP 254.A O no hydrogen 2.934 N/A SER 258.A OG ASP 254.A O no hydrogen 3.393 N/A SER 258.A OG ILE 255.A O no hydrogen 3.331 N/A SER 259.A OG ILE 255.A O no hydrogen 2.915 N/A VAL 263.A N SER 259.A O no hydrogen 3.094 N/A HIS 264.A N GLY 260.A O no hydrogen 2.991 N/A THR 265.A N ALA 261.A O no hydrogen 3.331 N/A THR 265.A OG1 ALA 261.A O no hydrogen 3.157 N/A CYS 266.A N ALA 262.A O no hydrogen 3.232 N/A CYS 266.A SG GLN 180.A OE1 no hydrogen 3.011 N/A VAL 267.A N VAL 263.A O no hydrogen 2.707 N/A LYS 268.A N HIS 264.A O no hydrogen 2.980 N/A ALA 269.A N THR 265.A O no hydrogen 2.886 N/A THR 270.A N CYS 266.A O no hydrogen 2.721 N/A THR 270.A OG1 CYS 266.A O no hydrogen 2.833 N/A PHE 271.A N VAL 267.A O no hydrogen 3.090 N/A HIS 272.A N LYS 268.A O no hydrogen 3.219 N/A ALA 273.A N ALA 269.A O no hydrogen 3.223 N/A ALA 273.A N THR 270.A O no hydrogen 3.181 N/A PHE 274.A N THR 270.A O no hydrogen 3.279 N/A ASN 275.A N PHE 271.A O no hydrogen 3.218 N/A LYS 276.A N ALA 273.A O no hydrogen 3.017 N/A