Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7up4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ASP 76.A OD2 no hydrogen 3.071 N/A TYR 6.A N SER 3.A O no hydrogen 3.026 N/A GLN 7.A N SER 3.A O no hydrogen 3.419 N/A GLN 7.A NE2 ASP 2.A O no hydrogen 2.898 N/A HIS 8.A N PHE 5.A O no hydrogen 3.249 N/A HIS 8.A ND1 PRO 4.A O no hydrogen 3.223 N/A TYR 9.A N PHE 5.A O no hydrogen 2.982 N/A TYR 9.A OH GLU 72.A OE1 no hydrogen 2.704 N/A ASP 10.A N VAL 30.A O no hydrogen 2.827 N/A ASP 12.A N LYS 28.A O no hydrogen 3.236 N/A LYS 14.A N ASP 12.A OD1 no hydrogen 3.001 N/A ASP 15.A N ASP 12.A OD1 no hydrogen 2.635 N/A GLY 19.A N CYS 26.A O no hydrogen 3.225 N/A GLY 21.A N SER 24.A O no hydrogen 3.437 N/A SER 24.A N GLY 21.A O no hydrogen 3.170 N/A ILE 25.A N ILE 42.A O no hydrogen 3.160 N/A CYS 26.A N GLY 19.A O no hydrogen 3.066 N/A CYS 26.A SG VAL 40.A O no hydrogen 3.401 N/A ARG 27.A N VAL 40.A O no hydrogen 3.044 N/A ARG 27.A NH1 ASP 12.A O no hydrogen 3.532 N/A CYS 29.A N PHE 38.A O no hydrogen 2.996 N/A CYS 29.A SG PHE 38.A O no hydrogen 3.809 N/A VAL 30.A N ASP 10.A O no hydrogen 2.972 N/A HIS 31.A N GLN 36.A O no hydrogen 2.839 N/A LYS 32.A N HIS 8.A O no hydrogen 2.848 N/A LYS 32.A NZ ASP 10.A OD1 no hydrogen 3.003 N/A LYS 32.A NZ ASP 10.A OD2 no hydrogen 3.289 N/A SER 34.A N HIS 31.A ND1 no hydrogen 2.928 N/A ASN 35.A N HIS 31.A O no hydrogen 2.862 N/A PHE 38.A N CYS 29.A O no hydrogen 2.768 N/A ALA 39.A N MET 84.A O no hydrogen 2.985 N/A VAL 40.A N ARG 27.A O no hydrogen 3.043 N/A LYS 41.A N LEU 82.A O no hydrogen 3.102 N/A LYS 41.A NZ GLU 54.A OE1 no hydrogen 2.923 N/A LYS 41.A NZ GLU 54.A OE2 no hydrogen 3.390 N/A ILE 42.A N ILE 25.A O no hydrogen 2.922 N/A ILE 43.A N THR 80.A O no hydrogen 2.962 N/A SER 44.A N PHE 23.A O no hydrogen 2.947 N/A SER 44.A OG LEU 78.A O no hydrogen 3.540 N/A LYS 45.A N LEU 78.A O no hydrogen 2.901 N/A LYS 45.A NZ HIS 75.A ND1 no hydrogen 3.111 N/A LYS 45.A NZ ASP 76.A O no hydrogen 2.895 N/A LYS 45.A NZ HIS 79.A O no hydrogen 3.141 N/A ARG 46.A N SER 44.A OG no hydrogen 3.320 N/A MET 47.A N SER 44.A O no hydrogen 3.162 N/A GLU 48.A N LYS 45.A O no hydrogen 3.080 N/A THR 51.A N MET 47.A O no hydrogen 2.792 N/A THR 51.A OG1 MET 47.A O no hydrogen 3.035 N/A GLN 52.A N GLU 48.A O no hydrogen 2.900 N/A GLN 52.A NE2 GLU 48.A OE2 no hydrogen 2.956 N/A GLU 54.A N ASN 50.A O no hydrogen 3.350 N/A ILE 55.A N THR 51.A O no hydrogen 2.998 N/A THR 56.A N GLN 52.A O no hydrogen 2.892 N/A THR 56.A OG1 GLN 52.A O no hydrogen 3.160 N/A ALA 57.A N LYS 53.A O no hydrogen 2.793 N/A LEU 58.A N GLU 54.A O no hydrogen 2.859 N/A LYS 59.A N ILE 55.A O no hydrogen 3.019 N/A LEU 60.A N THR 56.A O no hydrogen 2.848 N/A CYS 61.A N ALA 57.A O no hydrogen 3.328 N/A CYS 61.A N LEU 58.A O no hydrogen 3.228 N/A CYS 61.A SG ALA 57.A O no hydrogen 3.241 N/A GLU 62.A N LYS 59.A O no hydrogen 3.422 N/A HIS 64.A N CYS 61.A O no hydrogen 3.524 N/A HIS 64.A NE2 SER 116.A OG no hydrogen 3.062 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 3.022 N/A ASN 66.A ND2 GLU 142.A OE2 no hydrogen 3.042 N/A ASN 66.A ND2 ILE 143.A O no hydrogen 2.770 N/A ILE 67.A N HIS 64.A O no hydrogen 3.155 N/A VAL 68.A N ILE 145.A O no hydrogen 3.096 N/A LYS 69.A N GLU 85.A OE2 no hydrogen 2.814 N/A HIS 71.A N VAL 83.A O no hydrogen 2.631 N/A GLU 72.A N VAL 83.A O no hydrogen 3.103 N/A PHE 74.A N PHE 81.A O no hydrogen 3.018 N/A ASP 76.A N HIS 79.A O no hydrogen 3.016 N/A LEU 78.A N ASP 76.A OD1 no hydrogen 2.967 N/A HIS 79.A N ASP 76.A OD1 no hydrogen 2.759 N/A THR 80.A N ILE 43.A O no hydrogen 2.754 N/A THR 80.A OG1 GLU 48.A OE1 no hydrogen 2.684 N/A PHE 81.A N PHE 74.A O no hydrogen 3.029 N/A LEU 82.A N LYS 41.A O no hydrogen 2.923 N/A VAL 83.A N GLU 72.A O no hydrogen 2.750 N/A MET 84.A N ALA 39.A O no hydrogen 2.721 N/A GLU 85.A N LYS 69.A O no hydrogen 3.092 N/A GLY 89.A N PHE 138.A O no hydrogen 2.966 N/A LEU 92.A N LEU 136.A O no hydrogen 2.741 N/A ARG 95.A N GLU 91.A O no hydrogen 3.144 N/A ILE 96.A N LEU 92.A O no hydrogen 3.096 N/A LYS 97.A N PHE 93.A O no hydrogen 2.987 N/A LYS 97.A NZ GLU 94.A OE1 no hydrogen 3.552 N/A LYS 98.A N ARG 95.A O no hydrogen 3.084 N/A LYS 99.A N ARG 95.A O no hydrogen 3.214 N/A LYS 99.A N ILE 96.A O no hydrogen 3.288 N/A LYS 99.A NZ HIS 101.A O no hydrogen 2.724 N/A LYS 99.A NZ GLU 106.A OE2 no hydrogen 2.851 N/A SER 103.A N GLU 106.A OE1 no hydrogen 2.884 N/A SER 103.A OG GLU 106.A OE1 no hydrogen 3.021 N/A GLU 106.A N SER 103.A OG no hydrogen 3.337 N/A ALA 107.A N SER 103.A O no hydrogen 2.903 N/A SER 108.A N GLU 104.A O no hydrogen 2.648 N/A SER 108.A OG TRP 236.A O no hydrogen 2.925 N/A TYR 109.A N THR 105.A O no hydrogen 3.032 N/A ILE 110.A N GLU 106.A O no hydrogen 3.117 N/A MET 111.A N ALA 107.A O no hydrogen 2.921 N/A ARG 112.A N SER 108.A O no hydrogen 2.794 N/A ARG 112.A NH1 LEU 237.A O no hydrogen 3.016 N/A LYS 113.A N TYR 109.A O no hydrogen 3.287 N/A LYS 113.A NZ GLU 142.A OE2 no hydrogen 3.465 N/A LEU 114.A N ILE 110.A O no hydrogen 2.987 N/A VAL 115.A N MET 111.A O no hydrogen 2.833 N/A SER 116.A N ARG 112.A O no hydrogen 2.952 N/A SER 116.A OG HIS 64.A NE2 no hydrogen 3.062 N/A ALA 117.A N LYS 113.A O no hydrogen 2.993 N/A VAL 118.A N LEU 114.A O no hydrogen 2.943 N/A SER 119.A N VAL 115.A O no hydrogen 2.618 N/A HIS 120.A N SER 116.A O no hydrogen 3.059 N/A MET 121.A N ALA 117.A O no hydrogen 2.992 N/A HIS 122.A N VAL 118.A O no hydrogen 3.252 N/A HIS 122.A NE2 ASP 161.A OD2 no hydrogen 3.032 N/A ASP 123.A N SER 119.A O no hydrogen 3.191 N/A VAL 124.A N HIS 120.A O no hydrogen 3.076 N/A GLY 125.A N HIS 122.A O no hydrogen 3.435 N/A VAL 126.A N MET 121.A O no hydrogen 2.774 N/A VAL 127.A N ARG 152.A O no hydrogen 3.070 N/A HIS 128.A N ASP 161.A OD2 no hydrogen 2.817 N/A HIS 128.A NE2 ILE 146.A O no hydrogen 2.895 N/A ARG 129.A N ASP 161.A OD1 no hydrogen 3.043 N/A ARG 129.A NE PHE 150.A O no hydrogen 2.846 N/A ARG 129.A NH2 PHE 150.A O no hydrogen 3.442 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.051 N/A LYS 132.A N ASP 130.A O no hydrogen 2.992 N/A LYS 132.A NZ ASP 130.A OD1 no hydrogen 3.345 N/A LYS 132.A NZ ASP 130.A OD2 no hydrogen 3.383 N/A ASN 135.A N LYS 132.A O no hydrogen 2.938 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.573 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 3.124 N/A LEU 136.A N PRO 133.A O no hydrogen 3.142 N/A LEU 137.A N LYS 144.A O no hydrogen 2.907 N/A PHE 138.A N GLY 90.A O no hydrogen 2.869 N/A THR 139.A OG1 ASP 140.A OD1 no hydrogen 2.894 N/A THR 139.A OG1 GLU 142.A O no hydrogen 3.549 N/A ASP 140.A N THR 139.A OG1 no hydrogen 2.495 N/A GLU 142.A N THR 139.A OG1 no hydrogen 3.357 N/A LYS 144.A N LEU 137.A O no hydrogen 2.676 N/A LYS 144.A NZ ILE 67.A O no hydrogen 3.374 N/A LYS 144.A NZ GLU 85.A OE2 no hydrogen 3.099 N/A ILE 145.A N ASN 66.A O no hydrogen 2.991 N/A ILE 146.A N ASN 135.A O no hydrogen 2.916 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 2.965 N/A ALA 151.A N PHE 148.A O no hydrogen 3.269 N/A ARG 152.A N VAL 127.A O no hydrogen 3.082 N/A LYS 154.A N GLY 125.A O no hydrogen 2.826 N/A LYS 154.A NZ GLU 158.A OE2 no hydrogen 3.455 N/A SER 159.A N TYR 156.A O no hydrogen 3.251 N/A SER 159.A OG TYR 156.A O no hydrogen 2.686 N/A ASP 161.A N GLU 158.A O no hydrogen 3.239 N/A LEU 162.A N GLU 158.A O no hydrogen 3.288 N/A TRP 163.A N SER 159.A O no hydrogen 2.796 N/A SER 164.A N CYS 160.A O no hydrogen 3.231 N/A SER 164.A OG CYS 160.A O no hydrogen 2.963 N/A LEU 165.A N ASP 161.A O no hydrogen 3.129 N/A GLY 166.A N LEU 162.A O no hydrogen 3.159 N/A VAL 167.A N TRP 163.A O no hydrogen 3.093 N/A ILE 168.A N SER 164.A O no hydrogen 2.885 N/A LEU 169.A N LEU 165.A O no hydrogen 2.860 N/A TYR 170.A N GLY 166.A O no hydrogen 2.716 N/A TYR 170.A OH SER 197.A O no hydrogen 2.680 N/A THR 171.A N VAL 167.A O no hydrogen 3.204 N/A THR 171.A OG1 VAL 167.A O no hydrogen 3.514 N/A THR 171.A OG1 GLN 176.A O no hydrogen 2.887 N/A MET 172.A N ILE 168.A O no hydrogen 2.959 N/A LEU 173.A N LEU 169.A O no hydrogen 3.113 N/A SER 174.A N THR 171.A O no hydrogen 3.329 N/A SER 174.A OG TYR 170.A O no hydrogen 2.923 N/A GLY 175.A N THR 171.A O no hydrogen 2.664 N/A CYS 181.A SG THR 182.A O no hydrogen 3.563 N/A THR 182.A N GLN 180.A OE1 no hydrogen 3.258 N/A THR 182.A OG1 SER 183.A O no hydrogen 3.377 N/A ILE 187.A N SER 183.A O no hydrogen 3.005 N/A MET 188.A N ALA 184.A O no hydrogen 3.202 N/A LYS 190.A N ILE 187.A O no hydrogen 3.037 N/A ILE 191.A N ILE 187.A O no hydrogen 3.173 N/A LYS 192.A N MET 188.A O no hydrogen 3.392 N/A LYS 193.A N LYS 189.A O no hydrogen 3.246 N/A GLY 194.A N ILE 191.A O no hydrogen 2.808 N/A ASP 195.A N LYS 190.A O no hydrogen 2.685 N/A PHE 196.A N GLY 194.A O no hydrogen 2.854 N/A TRP 203.A N GLY 200.A O no hydrogen 3.193 N/A LYS 204.A N GLU 201.A O no hydrogen 3.447 N/A SER 207.A N GLU 104.A OE2 no hydrogen 2.826 N/A SER 207.A OG GLU 104.A OE1 no hydrogen 2.603 N/A SER 207.A OG GLU 104.A OE2 no hydrogen 3.394 N/A GLN 208.A NE2 ASP 212.A OD2 no hydrogen 3.471 N/A ALA 210.A N SER 207.A OG no hydrogen 3.235 N/A LYS 211.A N SER 207.A O no hydrogen 3.345 N/A LYS 211.A NZ TRP 203.A O no hydrogen 3.063 N/A ASP 212.A N GLN 208.A O no hydrogen 2.941 N/A LEU 213.A N GLU 209.A O no hydrogen 2.903 N/A ILE 214.A N ALA 210.A O no hydrogen 3.033 N/A GLN 215.A N LYS 211.A O no hydrogen 2.905 N/A GLY 216.A N ASP 212.A O no hydrogen 2.815 N/A LEU 217.A N LEU 213.A O no hydrogen 3.110 N/A LEU 217.A N ILE 214.A O no hydrogen 3.280 N/A LEU 218.A N ILE 214.A O no hydrogen 3.110 N/A THR 219.A OG1 GLN 215.A O no hydrogen 2.357 N/A THR 219.A OG1 GLY 216.A O no hydrogen 3.254 N/A LYS 224.A N ASP 221.A O no hydrogen 3.091 N/A ARG 225.A N ASP 221.A O no hydrogen 2.957 N/A ARG 225.A NE THR 219.A O no hydrogen 2.933 N/A ARG 225.A NH2 THR 219.A O no hydrogen 3.341 N/A LEU 226.A N GLY 216.A O no hydrogen 2.900 N/A LYS 227.A NZ PRO 222.A O no hydrogen 3.218 N/A LYS 227.A NZ ARG 225.A O no hydrogen 3.209 N/A GLY 230.A N LYS 227.A O no hydrogen 3.474 N/A LEU 231.A N LYS 227.A O no hydrogen 3.244 N/A ARG 232.A N MET 228.A O no hydrogen 3.433 N/A TYR 233.A N GLY 230.A O no hydrogen 3.187 N/A ASN 234.A N LEU 231.A O no hydrogen 3.259 N/A TRP 236.A NE1 GLU 104.A OE1 no hydrogen 2.850 N/A LEU 237.A N ASN 234.A OD1 no hydrogen 3.101 N/A GLN 238.A N GLU 235.A O no hydrogen 3.337 N/A GLN 238.A NE2 ARG 232.A O no hydrogen 3.003 N/A GLN 238.A NE2 ASN 234.A O no hydrogen 2.846 N/A SER 241.A OG GLU 235.A O no hydrogen 2.992 N/A ASN 246.A ND2 ASN 205.A O no hydrogen 3.685 N/A LEU 248.A N PHE 102.A O no hydrogen 2.699 N/A THR 250.A OG1 MET 172.A O no hydrogen 2.825 N/A ILE 253.A N MET 249.A O no hydrogen 3.143 N/A LEU 254.A N THR 250.A O no hydrogen 2.925 N/A GLY 255.A N PRO 251.A O no hydrogen 3.124 N/A SER 256.A N ASP 252.A O no hydrogen 2.890 N/A SER 256.A OG ASP 252.A O no hydrogen 3.342 N/A SER 256.A OG ILE 253.A O no hydrogen 3.503 N/A SER 257.A OG ILE 253.A O no hydrogen 3.413 N/A THR 263.A OG1 ALA 259.A O no hydrogen 2.870 N/A CYS 264.A N VAL 261.A O no hydrogen 2.939 N/A VAL 265.A N VAL 261.A O no hydrogen 3.106 N/A LYS 266.A N HIS 262.A O no hydrogen 3.082 N/A THR 268.A N CYS 264.A O no hydrogen 2.997 N/A THR 268.A OG1 CYS 264.A O no hydrogen 3.173 N/A PHE 269.A N VAL 265.A O no hydrogen 3.008 N/A HIS 270.A N LYS 266.A O no hydrogen 3.109 N/A ALA 271.A N ALA 267.A O no hydrogen 3.068 N/A ALA 271.A N THR 268.A O no hydrogen 3.188 N/A