Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1juj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N GLY 2.A O no hydrogen 3.433 N/A TYR 6.A OH MET 192.A O no hydrogen 2.724 N/A LEU 7.A N GLU 3.A O no hydrogen 3.199 N/A GLY 8.A N LEU 4.A O no hydrogen 2.783 N/A GLN 9.A N GLN 5.A O no hydrogen 2.882 N/A ILE 10.A N TYR 6.A O no hydrogen 3.075 N/A GLN 11.A N LEU 7.A O no hydrogen 2.735 N/A HIS 12.A N GLY 8.A O no hydrogen 2.742 N/A ILE 13.A N GLN 9.A O no hydrogen 3.003 N/A ARG 15.A N HIS 12.A O no hydrogen 2.814 N/A CYS 16.A N HIS 12.A O no hydrogen 2.957 N/A CYS 16.A SG ARG 15.A O no hydrogen 2.985 N/A VAL 18.A N SER 30.A O no hydrogen 3.075 N/A LYS 20.A N THR 28.A O no hydrogen 2.956 N/A LYS 20.A NZ ASP 227.A OD1 no hydrogen 3.304 N/A THR 24.A N ASP 22.A OD2 no hydrogen 2.847 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 3.478 N/A THR 24.A OG1 ASP 22.A OD2 no hydrogen 2.392 N/A THR 24.A OG1 THR 26.A OG1 no hydrogen 2.486 N/A GLY 25.A N ASP 22.A O no hydrogen 3.105 N/A THR 26.A N THR 24.A OG1 no hydrogen 2.901 N/A THR 26.A OG1 THR 24.A OG1 no hydrogen 2.486 N/A LEU 29.A N ILE 230.A O no hydrogen 3.052 N/A SER 30.A N VAL 18.A O no hydrogen 3.044 N/A VAL 31.A N ALA 228.A O no hydrogen 3.247 N/A GLY 33.A N GLY 226.A O no hydrogen 2.979 N/A MET 34.A N LEU 225.A O no hydrogen 3.393 N/A GLN 35.A NE2 THR 224.A OG1 no hydrogen 3.006 N/A ALA 36.A N HIS 223.A O no hydrogen 2.994 N/A TYR 38.A N PHE 221.A O no hydrogen 2.945 N/A LEU 40.A N GLY 219.A O no hydrogen 2.674 N/A ARG 41.A N SER 39.A OG no hydrogen 3.391 N/A ARG 41.A NE GLU 180.A OE1 no hydrogen 3.042 N/A ARG 41.A NE GLU 180.A OE2 no hydrogen 3.364 N/A ARG 41.A NH1 ASP 220.A OD1 no hydrogen 3.360 N/A ARG 41.A NH2 GLU 180.A OE2 no hydrogen 2.847 N/A ARG 41.A NH2 ASP 220.A OD2 no hydrogen 3.070 N/A PHE 44.A N PRO 250.A O no hydrogen 3.223 N/A LEU 46.A N PHE 44.A O no hydrogen 2.763 N/A THR 48.A N GLU 3.A OE1 no hydrogen 2.597 N/A THR 48.A N GLU 3.A OE2 no hydrogen 3.210 N/A THR 48.A OG1 GLU 3.A OE1 no hydrogen 2.954 N/A THR 48.A OG1 GLU 3.A OE2 no hydrogen 3.475 N/A THR 49.A N GLU 3.A OE2 no hydrogen 2.815 N/A THR 49.A OG1 GLU 3.A OE2 no hydrogen 2.565 N/A THR 49.A OG1 GLN 241.A OE1 no hydrogen 3.409 N/A LYS 50.A NZ GLY 193.A O no hydrogen 2.908 N/A VAL 52.A N TYR 274.A OH no hydrogen 2.996 N/A TRP 54.A N VAL 52.A O no hydrogen 2.662 N/A VAL 57.A N PHE 53.A O no hydrogen 3.226 N/A LEU 58.A N TRP 54.A O no hydrogen 3.010 N/A GLU 59.A N LYS 55.A O no hydrogen 2.919 N/A GLU 60.A N GLY 56.A O no hydrogen 2.880 N/A LEU 61.A N VAL 57.A O no hydrogen 3.197 N/A LEU 62.A N LEU 58.A O no hydrogen 3.103 N/A TRP 63.A N GLU 59.A O no hydrogen 2.754 N/A PHE 64.A N GLU 60.A O no hydrogen 2.769 N/A ILE 65.A N LEU 61.A O no hydrogen 3.047 N/A LYS 66.A N LEU 62.A O no hydrogen 3.244 N/A GLY 67.A N PHE 64.A O no hydrogen 2.630 N/A THR 69.A OG1 TYR 119.A OH no hydrogen 3.026 N/A ASN 70.A N SER 68.A OG no hydrogen 3.363 N/A ALA 71.A N GLY 102.A O no hydrogen 2.687 N/A SER 75.A OG ASP 83.A OD1 no hydrogen 2.849 N/A SER 76.A N LYS 72.A O no hydrogen 2.793 N/A SER 76.A OG LYS 72.A O no hydrogen 3.209 N/A LYS 77.A N LEU 74.A O no hydrogen 3.215 N/A GLY 78.A N SER 75.A O no hydrogen 2.824 N/A VAL 79.A N LEU 74.A O no hydrogen 3.139 N/A LYS 80.A NZ SER 75.A OG no hydrogen 3.148 N/A TRP 82.A NE1 GLU 60.A OE2 no hydrogen 3.061 N/A ASP 83.A N LYS 80.A O no hydrogen 2.723 N/A GLY 86.A N ASP 83.A O no hydrogen 3.390 N/A SER 87.A OG ALA 84.A O no hydrogen 3.125 N/A ARG 88.A N GLU 101.A OE2 no hydrogen 3.057 N/A ARG 88.A NH1 ASP 92.A OD1 no hydrogen 3.082 N/A ARG 88.A NH1 ARG 99.A O no hydrogen 3.120 N/A ARG 88.A NH2 ARG 99.A O no hydrogen 2.425 N/A PHE 90.A N SER 87.A OG no hydrogen 3.082 N/A LEU 91.A N SER 87.A O no hydrogen 3.083 N/A ASP 92.A N ARG 88.A O no hydrogen 3.068 N/A SER 93.A N ASP 89.A O no hydrogen 3.053 N/A SER 93.A OG PHE 90.A O no hydrogen 2.656 N/A LEU 94.A N LEU 91.A O no hydrogen 3.339 N/A GLY 95.A N ASP 92.A O no hydrogen 2.982 N/A PHE 96.A N LEU 91.A O no hydrogen 3.075 N/A ARG 99.A N PHE 96.A O no hydrogen 2.952 N/A ARG 99.A NH1 ASP 103.A O no hydrogen 3.019 N/A ARG 99.A NH1 LEU 162.A O no hydrogen 3.295 N/A ARG 99.A NH2 LEU 162.A O no hydrogen 2.714 N/A GLY 102.A N GLY 86.A O no hydrogen 2.942 N/A ASP 103.A N GLU 100.A O no hydrogen 3.308 N/A LEU 104.A N THR 69.A O no hydrogen 3.340 N/A GLY 105.A N ASP 103.A OD2 no hydrogen 3.180 N/A VAL 107.A N GLY 105.A O no hydrogen 2.435 N/A GLN 111.A N VAL 107.A O no hydrogen 3.357 N/A GLN 111.A NE2 PRO 106.A O no hydrogen 2.895 N/A GLN 111.A NE2 ASP 159.A OD2 no hydrogen 3.279 N/A TRP 112.A N TYR 108.A O no hydrogen 2.917 N/A ARG 113.A N GLY 109.A O no hydrogen 3.179 N/A ARG 113.A NE ILE 65.A O no hydrogen 3.232 N/A ARG 113.A NH2 ASP 262.A OD1 no hydrogen 3.356 N/A ARG 113.A NH2 ASP 262.A OD2 no hydrogen 3.071 N/A HIS 114.A N PHE 110.A O no hydrogen 2.817 N/A HIS 114.A ND1 GLN 129.A O no hydrogen 2.995 N/A PHE 115.A N VAL 131.A O no hydrogen 3.284 N/A TYR 119.A OH THR 69.A OG1 no hydrogen 3.026 N/A TYR 119.A OH ASP 103.A OD2 no hydrogen 2.565 N/A ARG 120.A N TYR 126.A OH no hydrogen 3.078 N/A MET 122.A N ASP 103.A OD1 no hydrogen 2.867 N/A GLU 123.A N ASP 121.A OD2 no hydrogen 3.257 N/A SER 124.A OG ARG 120.A O no hydrogen 2.880 N/A SER 124.A OG ASP 121.A OD2 no hydrogen 3.447 N/A TYR 126.A OH ARG 120.A O no hydrogen 3.022 N/A TYR 126.A OH ASP 121.A O no hydrogen 2.597 N/A SER 127.A N ASP 125.A OD1 no hydrogen 3.346 N/A SER 127.A OG ASP 125.A OD1 no hydrogen 2.669 N/A SER 127.A OG ASP 125.A OD2 no hydrogen 3.206 N/A GLN 129.A NE2 ASP 125.A O no hydrogen 3.313 N/A GLN 133.A N TRP 112.A O no hydrogen 2.807 N/A LEU 134.A N TRP 112.A O no hydrogen 3.384 N/A GLN 135.A N ASP 132.A OD2 no hydrogen 2.952 N/A GLN 135.A NE2 ASP 139.A OD1 no hydrogen 2.387 N/A ARG 136.A N ASP 132.A O no hydrogen 3.103 N/A VAL 137.A N GLN 133.A O no hydrogen 2.871 N/A ILE 138.A N LEU 134.A O no hydrogen 3.406 N/A ASP 139.A N GLN 135.A O no hydrogen 3.080 N/A THR 140.A N ARG 136.A O no hydrogen 3.246 N/A THR 140.A OG1 ARG 136.A O no hydrogen 2.899 N/A ILE 141.A N VAL 137.A O no hydrogen 3.195 N/A LYS 142.A N ILE 138.A O no hydrogen 3.143 N/A THR 143.A N ASP 139.A O no hydrogen 2.897 N/A THR 143.A OG1 ASP 139.A O no hydrogen 3.461 N/A ASN 144.A N THR 140.A O no hydrogen 2.631 N/A ASP 147.A N ASN 144.A O no hydrogen 3.443 N/A ARG 149.A N ASP 147.A OD1 no hydrogen 2.358 N/A ILE 151.A N ARG 149.A O no hydrogen 2.738 N/A MET 152.A N CYS 172.A O no hydrogen 3.046 N/A CYS 153.A SG TRP 155.A O no hydrogen 3.450 N/A CYS 153.A SG ALA 170.A O no hydrogen 3.816 N/A ALA 154.A N ALA 170.A O no hydrogen 2.913 N/A ASN 156.A ND2 GLN 111.A OE1 no hydrogen 3.292 N/A ASP 159.A N ASN 156.A O no hydrogen 2.829 N/A LEU 160.A N PRO 157.A O no hydrogen 3.403 N/A LEU 162.A N ASP 159.A O no hydrogen 2.738 N/A MET 163.A N LEU 160.A O no hydrogen 3.168 N/A ALA 164.A N LEU 104.A O no hydrogen 3.098 N/A CYS 168.A N TYR 108.A OH no hydrogen 2.825 N/A CYS 168.A SG PRO 166.A O no hydrogen 3.933 N/A HIS 169.A ND1 TYR 203.A OH no hydrogen 2.617 N/A ALA 170.A N TYR 186.A O no hydrogen 3.237 N/A CYS 172.A N MET 152.A O no hydrogen 3.122 N/A GLN 173.A N GLN 184.A O no hydrogen 2.950 N/A PHE 174.A N ILE 150.A O no hydrogen 3.101 N/A TYR 175.A N SER 182.A O no hydrogen 3.091 N/A VAL 177.A N GLU 180.A O no hydrogen 3.102 N/A SER 179.A OG ASN 178.A O no hydrogen 2.460 N/A GLU 180.A N VAL 177.A O no hydrogen 3.053 N/A GLU 180.A N ASN 178.A O no hydrogen 2.625 N/A LEU 181.A N LYS 217.A O no hydrogen 3.003 N/A SER 182.A N TYR 175.A O no hydrogen 2.861 N/A SER 182.A OG ASP 220.A O no hydrogen 3.214 N/A CYS 183.A N ASP 220.A O no hydrogen 2.880 N/A CYS 183.A SG GLN 173.A O no hydrogen 3.951 N/A CYS 183.A SG GLN 184.A O no hydrogen 3.928 N/A GLN 184.A N GLN 173.A O no hydrogen 2.880 N/A LEU 185.A N ILE 222.A O no hydrogen 2.787 N/A TYR 186.A N LEU 171.A O no hydrogen 2.892 N/A GLN 187.A N THR 224.A O no hydrogen 2.912 N/A GLN 187.A NE2 SER 189.A O no hydrogen 2.689 N/A ARG 188.A NE PRO 167.A O no hydrogen 3.167 N/A GLY 190.A N ASP 227.A O no hydrogen 3.139 N/A MET 192.A N HIS 229.A O no hydrogen 3.254 N/A GLY 193.A N ASP 191.A OD2 no hydrogen 3.236 N/A LEU 194.A N ASP 191.A O no hydrogen 3.216 N/A LEU 194.A N ASP 191.A OD2 no hydrogen 3.408 N/A VAL 196.A N ASP 191.A O no hydrogen 3.211 N/A ASN 199.A N GLY 195.A O no hydrogen 2.643 N/A ILE 200.A N VAL 196.A O no hydrogen 2.826 N/A SER 202.A N PHE 198.A O no hydrogen 3.110 N/A TYR 203.A N ASN 199.A O no hydrogen 3.169 N/A TYR 203.A OH HIS 169.A ND1 no hydrogen 2.617 N/A ALA 204.A N ILE 200.A O no hydrogen 3.245 N/A LEU 205.A N ALA 201.A O no hydrogen 2.948 N/A LEU 206.A N SER 202.A O no hydrogen 3.101 N/A THR 207.A N TYR 203.A O no hydrogen 2.982 N/A THR 207.A OG1 TYR 203.A O no hydrogen 2.844 N/A TYR 208.A N ALA 204.A O no hydrogen 2.988 N/A TYR 208.A OH LEU 40.A O no hydrogen 2.734 N/A TYR 208.A OH GLU 43.A O no hydrogen 2.956 N/A MET 209.A N LEU 205.A O no hydrogen 2.898 N/A ILE 210.A N LEU 206.A O no hydrogen 2.957 N/A ALA 211.A N THR 207.A O no hydrogen 2.809 N/A HIS 212.A N TYR 208.A O no hydrogen 3.070 N/A ILE 213.A N MET 209.A O no hydrogen 3.312 N/A THR 214.A N ILE 210.A O no hydrogen 3.110 N/A THR 214.A OG1 ILE 210.A O no hydrogen 2.663 N/A THR 214.A OG1 ALA 211.A O no hydrogen 3.331 N/A GLY 215.A N HIS 212.A O no hydrogen 3.360 N/A LEU 216.A N ALA 211.A O no hydrogen 2.587 N/A LYS 217.A N SER 179.A O no hydrogen 2.937 N/A GLY 219.A N LEU 181.A O no hydrogen 2.730 N/A ASP 220.A N SER 182.A OG no hydrogen 2.650 N/A PHE 221.A N TYR 38.A O no hydrogen 2.827 N/A ILE 222.A N CYS 183.A O no hydrogen 2.825 N/A HIS 223.A N ALA 36.A O no hydrogen 2.822 N/A HIS 223.A NE2 GLN 187.A OE1 no hydrogen 2.839 N/A THR 224.A N LEU 185.A O no hydrogen 2.816 N/A LEU 225.A N MET 34.A O no hydrogen 2.840 N/A GLY 226.A N GLN 187.A O no hydrogen 3.045 N/A ASP 227.A N ARG 188.A O no hydrogen 2.948 N/A ALA 228.A N VAL 31.A O no hydrogen 3.017 N/A HIS 229.A N GLY 190.A O no hydrogen 3.140 N/A HIS 229.A ND1 ASP 227.A O no hydrogen 2.816 N/A ILE 230.A N LEU 29.A O no hydrogen 2.873 N/A ASN 233.A N ASN 233.A OD1 no hydrogen 2.631 N/A HIS 234.A N TYR 231.A O no hydrogen 2.867 N/A HIS 234.A NE2 GLU 283.A O no hydrogen 2.894 N/A ILE 235.A N LEU 232.A O no hydrogen 3.405 N/A LEU 238.A N HIS 234.A O no hydrogen 2.955 N/A LYS 239.A N ILE 235.A O no hydrogen 3.049 N/A ILE 240.A N PRO 237.A O no hydrogen 2.752 N/A GLN 241.A N PRO 237.A O no hydrogen 3.187 N/A LEU 242.A N LEU 238.A O no hydrogen 2.936 N/A GLN 243.A N ILE 240.A O no hydrogen 2.543 N/A GLN 243.A NE2 LYS 239.A O no hydrogen 3.488 N/A ARG 244.A N GLN 241.A O no hydrogen 3.335 N/A ARG 244.A NH1 THR 49.A O no hydrogen 3.287 N/A ARG 244.A NH1 PRO 278.A O no hydrogen 2.561 N/A ARG 247.A N THR 48.A OG1 no hydrogen 3.271 N/A ARG 247.A NE HIS 277.A NE2 no hydrogen 2.809 N/A LYS 251.A N GLU 272.A O no hydrogen 2.808 N/A ARG 253.A N GLN 270.A O no hydrogen 2.807 N/A ARG 253.A NH2 GLN 270.A OE1 no hydrogen 3.509 N/A LEU 255.A N ASP 268.A O no hydrogen 3.039 N/A ARG 256.A NH1 ASP 268.A OD1 no hydrogen 2.594 N/A ARG 256.A NH2 ASP 263.A O no hydrogen 3.523 N/A ASP 263.A N LYS 260.A O no hydrogen 2.930 N/A LYS 265.A N ASP 268.A OD2 no hydrogen 2.464 N/A LYS 265.A NZ GLU 267.A OE2 no hydrogen 3.567 N/A ASP 268.A N LYS 265.A O no hydrogen 3.017 N/A PHE 269.A N ALA 266.A O no hydrogen 3.463 N/A GLN 270.A N ARG 253.A O no hydrogen 3.076 N/A GLU 272.A N LYS 251.A O no hydrogen 2.677 N/A TYR 274.A OH LEU 47.A O no hydrogen 2.850 N/A HIS 277.A N THR 48.A O no hydrogen 2.729 N/A