Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7up6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASP 75.A OD2 no hydrogen 3.442 N/A TYR 5.A N SER 2.A O no hydrogen 2.878 N/A GLN 6.A N SER 2.A O no hydrogen 3.434 N/A GLN 6.A NE2 ASP 1.A O no hydrogen 2.973 N/A HIS 7.A N PHE 4.A O no hydrogen 3.153 N/A HIS 7.A ND1 PRO 3.A O no hydrogen 2.783 N/A TYR 8.A N PHE 4.A O no hydrogen 2.868 N/A TYR 8.A OH GLU 71.A OE1 no hydrogen 2.532 N/A ASP 9.A N VAL 29.A O no hydrogen 2.819 N/A ASP 11.A N LYS 27.A O no hydrogen 2.939 N/A LYS 13.A N ASP 11.A OD2 no hydrogen 2.975 N/A ASP 14.A N ASP 11.A OD2 no hydrogen 2.744 N/A LEU 17.A N CYS 25.A O no hydrogen 2.826 N/A GLY 20.A N SER 23.A O no hydrogen 3.055 N/A ILE 24.A N ILE 41.A O no hydrogen 3.007 N/A CYS 25.A N GLY 18.A O no hydrogen 2.838 N/A ARG 26.A N VAL 39.A O no hydrogen 3.169 N/A CYS 28.A N PHE 37.A O no hydrogen 2.842 N/A CYS 28.A SG PHE 37.A O no hydrogen 3.706 N/A VAL 29.A N ASP 9.A O no hydrogen 2.947 N/A HIS 30.A N GLN 35.A O no hydrogen 2.852 N/A HIS 30.A ND1 SER 33.A OG no hydrogen 3.149 N/A LYS 31.A N HIS 7.A O no hydrogen 2.804 N/A LYS 31.A NZ TYR 5.A O no hydrogen 2.587 N/A SER 33.A N HIS 30.A ND1 no hydrogen 3.374 N/A SER 33.A OG HIS 30.A ND1 no hydrogen 3.149 N/A ASN 34.A N HIS 30.A O no hydrogen 2.875 N/A GLN 35.A N SER 33.A OG no hydrogen 3.412 N/A GLN 35.A NE2 ALA 36.A O no hydrogen 3.302 N/A PHE 37.A N CYS 28.A O no hydrogen 2.756 N/A ALA 38.A N MET 83.A O no hydrogen 2.874 N/A VAL 39.A N ARG 26.A O no hydrogen 2.982 N/A LYS 40.A N LEU 81.A O no hydrogen 2.811 N/A LYS 40.A NZ GLU 53.A OE1 no hydrogen 2.938 N/A LYS 40.A NZ GLU 53.A OE2 no hydrogen 2.520 N/A LYS 40.A NZ ASP 148.A OD1 no hydrogen 2.645 N/A ILE 41.A N ILE 24.A O no hydrogen 2.768 N/A ILE 42.A N THR 79.A O no hydrogen 2.919 N/A SER 43.A N PHE 22.A O no hydrogen 3.109 N/A LYS 44.A N LEU 77.A O no hydrogen 3.054 N/A LYS 44.A NZ GLU 47.A OE2 no hydrogen 3.128 N/A LYS 44.A NZ ASP 75.A O no hydrogen 3.251 N/A ARG 45.A N SER 43.A OG no hydrogen 3.388 N/A MET 46.A N SER 43.A O no hydrogen 3.034 N/A GLU 47.A N LYS 44.A O no hydrogen 3.044 N/A ASN 49.A ND2 GLY 150.A O no hydrogen 2.897 N/A THR 50.A N MET 46.A O no hydrogen 2.822 N/A THR 50.A OG1 MET 46.A O no hydrogen 2.925 N/A GLN 51.A N GLU 47.A O no hydrogen 2.854 N/A GLN 51.A NE2 GLU 47.A OE1 no hydrogen 2.908 N/A LYS 52.A N ALA 48.A O no hydrogen 3.219 N/A LYS 52.A NZ ASN 49.A OD1 no hydrogen 2.899 N/A LYS 52.A NZ ALA 152.A O no hydrogen 2.721 N/A GLU 53.A N ASN 49.A O no hydrogen 2.926 N/A ILE 54.A N THR 50.A O no hydrogen 2.798 N/A THR 55.A N GLN 51.A O no hydrogen 2.995 N/A THR 55.A OG1 GLN 51.A O no hydrogen 2.953 N/A ALA 56.A N LYS 52.A O no hydrogen 2.915 N/A LEU 57.A N GLU 53.A O no hydrogen 2.913 N/A LYS 58.A N ILE 54.A O no hydrogen 2.879 N/A LEU 59.A N THR 55.A O no hydrogen 2.884 N/A CYS 60.A N ALA 56.A O no hydrogen 3.178 N/A CYS 60.A SG ALA 56.A O no hydrogen 3.294 N/A GLU 61.A N LYS 58.A O no hydrogen 3.177 N/A HIS 63.A N CYS 60.A O no hydrogen 3.401 N/A HIS 63.A NE2 SER 115.A OG no hydrogen 2.935 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 2.996 N/A ASN 65.A ND2 ILE 144.A O no hydrogen 2.573 N/A ILE 66.A N HIS 63.A O no hydrogen 3.281 N/A VAL 67.A N ILE 146.A O no hydrogen 2.981 N/A LYS 68.A N GLU 84.A OE1 no hydrogen 3.086 N/A HIS 70.A N VAL 82.A O no hydrogen 2.819 N/A GLU 71.A N VAL 82.A O no hydrogen 3.190 N/A PHE 73.A N PHE 80.A O no hydrogen 2.956 N/A HIS 74.A ND1 THR 79.A OG1 no hydrogen 3.001 N/A ASP 75.A N HIS 78.A O no hydrogen 2.979 N/A LEU 77.A N ASP 75.A OD1 no hydrogen 2.664 N/A HIS 78.A N ASP 75.A OD1 no hydrogen 2.928 N/A THR 79.A N ILE 42.A O no hydrogen 2.861 N/A THR 79.A OG1 HIS 74.A ND1 no hydrogen 3.001 N/A PHE 80.A N PHE 73.A O no hydrogen 2.772 N/A LEU 81.A N LYS 40.A O no hydrogen 2.847 N/A VAL 82.A N GLU 71.A O no hydrogen 2.849 N/A MET 83.A N ALA 38.A O no hydrogen 2.562 N/A GLU 84.A N LYS 68.A O no hydrogen 3.053 N/A GLY 88.A N PHE 137.A O no hydrogen 2.650 N/A GLU 90.A N GLU 93.A OE1.B no hydrogen 3.389 N/A LEU 91.A N LEU 135.A O no hydrogen 2.971 N/A ARG 94.A N GLU 90.A O no hydrogen 3.000 N/A ARG 94.A NH2 GLY 88.A O no hydrogen 3.094 N/A ARG 94.A NH2 ASP 139.A OD1 no hydrogen 3.520 N/A ILE 95.A N LEU 91.A O no hydrogen 2.984 N/A LYS 96.A N PHE 92.A O no hydrogen 2.756 N/A LYS 97.A N ARG 94.A O no hydrogen 3.289 N/A LYS 98.A N ILE 95.A O no hydrogen 3.215 N/A LYS 98.A NZ HIS 100.A O no hydrogen 3.347 N/A SER 102.A OG THR 104.A OG1 no hydrogen 2.832 N/A THR 104.A OG1 SER 102.A OG no hydrogen 2.832 N/A GLU 105.A N SER 102.A OG no hydrogen 3.340 N/A ALA 106.A N SER 102.A O no hydrogen 2.895 N/A SER 107.A N GLU 103.A O no hydrogen 2.621 N/A SER 107.A OG TRP 236.A O no hydrogen 3.144 N/A TYR 108.A N THR 104.A O no hydrogen 3.129 N/A ILE 109.A N GLU 105.A O no hydrogen 3.121 N/A MET 110.A N ALA 106.A O no hydrogen 2.833 N/A ARG 111.A N SER 107.A O no hydrogen 2.750 N/A ARG 111.A NE LEU 237.A O no hydrogen 2.455 N/A LYS 112.A N TYR 108.A O no hydrogen 3.326 N/A LEU 113.A N ILE 109.A O no hydrogen 3.015 N/A VAL 114.A N MET 110.A O no hydrogen 2.902 N/A SER 115.A N ARG 111.A O no hydrogen 3.020 N/A SER 115.A OG HIS 63.A NE2 no hydrogen 2.935 N/A ALA 116.A N LYS 112.A O no hydrogen 2.980 N/A VAL 117.A N LEU 113.A O no hydrogen 2.985 N/A SER 118.A N VAL 114.A O no hydrogen 2.876 N/A HIS 119.A N SER 115.A O no hydrogen 3.011 N/A MET 120.A N ALA 116.A O no hydrogen 3.041 N/A HIS 121.A N VAL 117.A O no hydrogen 3.016 N/A HIS 121.A NE2 ASP 163.A OD2 no hydrogen 3.159 N/A ASP 122.A N SER 118.A O no hydrogen 3.000 N/A VAL 123.A N HIS 119.A O no hydrogen 3.037 N/A GLY 124.A N HIS 121.A O no hydrogen 2.941 N/A VAL 125.A N MET 120.A O no hydrogen 2.769 N/A VAL 126.A N ARG 153.A O no hydrogen 2.964 N/A HIS 127.A N ASP 163.A OD2 no hydrogen 2.924 N/A HIS 127.A NE2 ILE 147.A O no hydrogen 2.859 N/A ARG 128.A N ASP 163.A OD1 no hydrogen 2.881 N/A ARG 128.A NE PHE 151.A O no hydrogen 2.838 N/A ARG 128.A NH2 PHE 151.A O no hydrogen 3.000 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.014 N/A LYS 131.A N ASP 129.A O no hydrogen 2.835 N/A LYS 131.A NZ GLU 133.A OE2 no hydrogen 3.412 N/A ASN 134.A N LYS 131.A O no hydrogen 2.956 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.803 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 3.113 N/A LEU 135.A N PRO 132.A O no hydrogen 3.391 N/A LEU 136.A N LYS 145.A O no hydrogen 2.934 N/A PHE 137.A N GLY 89.A O no hydrogen 2.795 N/A THR 138.A N GLU 143.A O no hydrogen 2.982 N/A LYS 145.A N LEU 136.A O no hydrogen 2.887 N/A LYS 145.A NZ GLU 84.A OE1 no hydrogen 3.042 N/A LYS 145.A NZ GLU 84.A OE2 no hydrogen 2.798 N/A ILE 146.A N ASN 65.A O no hydrogen 2.928 N/A ILE 147.A N ASN 134.A O no hydrogen 3.038 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 3.163 N/A ALA 152.A N PHE 149.A O no hydrogen 3.232 N/A ARG 153.A N VAL 126.A O no hydrogen 2.853 N/A LYS 155.A N GLY 124.A O no hydrogen 3.108 N/A LYS 155.A NZ HIS 121.A O no hydrogen 2.927 N/A LYS 155.A NZ GLU 160.A OE1 no hydrogen 3.135 N/A SER 161.A N TYR 158.A O no hydrogen 3.142 N/A SER 161.A OG TYR 158.A O no hydrogen 2.597 N/A LEU 164.A N GLU 160.A O no hydrogen 3.194 N/A TRP 165.A N SER 161.A O no hydrogen 2.710 N/A SER 166.A N CYS 162.A O no hydrogen 2.678 N/A SER 166.A OG CYS 162.A O no hydrogen 2.850 N/A LEU 167.A N ASP 163.A O no hydrogen 2.913 N/A GLY 168.A N LEU 164.A O no hydrogen 2.964 N/A VAL 169.A N TRP 165.A O no hydrogen 2.949 N/A ILE 170.A N SER 166.A O no hydrogen 2.924 N/A LEU 171.A N LEU 167.A O no hydrogen 2.939 N/A TYR 172.A N GLY 168.A O no hydrogen 2.865 N/A TYR 172.A OH SER 197.A O no hydrogen 2.423 N/A THR 173.A N VAL 169.A O no hydrogen 3.076 N/A THR 173.A OG1 VAL 169.A O no hydrogen 3.134 N/A THR 173.A OG1 GLN 178.A O no hydrogen 3.223 N/A MET 174.A N ILE 170.A O no hydrogen 2.826 N/A LEU 175.A N LEU 171.A O no hydrogen 3.018 N/A SER 176.A N TYR 172.A O no hydrogen 3.169 N/A SER 176.A OG TYR 172.A O no hydrogen 2.715 N/A SER 176.A OG GLN 178.A O no hydrogen 3.369 N/A GLY 177.A N THR 173.A O no hydrogen 2.758 N/A GLN 178.A N SER 176.A OG no hydrogen 3.346 N/A GLN 182.A NE2 PRO 180.A O no hydrogen 3.511 N/A ILE 187.A N SER 183.A O no hydrogen 3.067 N/A MET 188.A N ALA 184.A O no hydrogen 3.148 N/A LYS 189.A N VAL 185.A O no hydrogen 3.367 N/A LYS 190.A N GLU 186.A O no hydrogen 2.740 N/A ILE 191.A N ILE 187.A O no hydrogen 2.638 N/A LYS 192.A N MET 188.A O no hydrogen 2.932 N/A LYS 193.A N LYS 189.A O no hydrogen 2.959 N/A GLY 194.A N ILE 191.A O no hydrogen 2.889 N/A ASP 195.A N LYS 190.A O no hydrogen 2.818 N/A PHE 196.A N GLY 194.A O no hydrogen 3.059 N/A SER 197.A OG GLU 199.A OE2 no hydrogen 2.915 N/A GLU 199.A N SER 197.A OG no hydrogen 3.319 N/A TRP 203.A N GLY 200.A O no hydrogen 3.088 N/A LYS 204.A N GLU 201.A O no hydrogen 3.149 N/A VAL 206.A N TRP 203.A O no hydrogen 3.331 N/A SER 207.A N GLU 103.A OE1 no hydrogen 3.032 N/A SER 207.A OG GLU 103.A OE2 no hydrogen 2.871 N/A GLN 208.A NE2 GLN 208.A O no hydrogen 3.454 N/A GLN 208.A NE2 ASP 212.A OD1 no hydrogen 2.888 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.444 N/A ALA 210.A N SER 207.A OG no hydrogen 3.141 N/A LYS 211.A N SER 207.A O no hydrogen 3.355 N/A LYS 211.A NZ TRP 203.A O no hydrogen 2.842 N/A LYS 211.A NZ VAL 206.A O no hydrogen 3.568 N/A ASP 212.A N GLN 208.A O no hydrogen 2.892 N/A LEU 213.A N GLU 209.A O no hydrogen 3.078 N/A ILE 214.A N ALA 210.A O no hydrogen 2.888 N/A GLN 215.A N LYS 211.A O no hydrogen 2.832 N/A GLY 216.A N ASP 212.A O no hydrogen 2.901 N/A LEU 217.A N LEU 213.A O no hydrogen 3.171 N/A LEU 217.A N ILE 214.A O no hydrogen 3.045 N/A LEU 218.A N ILE 214.A O no hydrogen 2.904 N/A THR 219.A N GLN 215.A O no hydrogen 2.857 N/A ASP 221.A N THR 219.A OG1 no hydrogen 3.051 N/A ASN 223.A N ASP 221.A OD2 no hydrogen 2.976 N/A LYS 224.A N ASP 221.A O no hydrogen 3.219 N/A ARG 225.A NE THR 219.A O no hydrogen 2.993 N/A ARG 225.A NH2 THR 219.A O no hydrogen 3.095 N/A LEU 226.A N GLY 216.A O no hydrogen 2.835 N/A LEU 231.A N LYS 227.A O no hydrogen 2.943 N/A LEU 231.A N MET 228.A O no hydrogen 3.090 N/A ARG 232.A N SER 229.A O no hydrogen 3.241 N/A TRP 236.A NE1 GLU 103.A OE2 no hydrogen 2.963 N/A LEU 237.A N ASN 234.A OD1 no hydrogen 3.124 N/A GLN 238.A N ASN 234.A O no hydrogen 3.279 N/A SER 241.A N GLN 238.A O no hydrogen 3.211 N/A SER 241.A OG GLU 235.A O no hydrogen 3.324 N/A ASN 246.A N SER 244.A OG no hydrogen 3.227 N/A LEU 248.A N PHE 101.A O no hydrogen 2.590 N/A THR 250.A OG1 MET 174.A O no hydrogen 2.625 N/A ILE 253.A N MET 249.A O no hydrogen 2.907 N/A LEU 254.A N THR 250.A O no hydrogen 2.847 N/A GLY 255.A N PRO 251.A O no hydrogen 3.074 N/A SER 256.A N ASP 252.A O no hydrogen 3.100 N/A