Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cue_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ GLU 8.A OE2 no hydrogen 3.517 N/A ALA 5.A N SER 2.A O no hydrogen 3.282 N/A MET 6.A N LEU 3.A O no hydrogen 3.154 N/A GLU 9.A N ALA 5.A O no hydrogen 3.054 N/A ILE 10.A N MET 6.A O no hydrogen 2.878 N/A TRP 11.A N GLU 8.A O no hydrogen 3.041 N/A ASN 13.A ND2 THR 15.A O no hydrogen 3.119 N/A THR 15.A OG1 LYS 14.A O no hydrogen 3.294 N/A LEU 22.A N ASN 19.A O no hydrogen 3.132 N/A PHE 23.A N ASN 19.A O no hydrogen 3.503 N/A THR 24.A N THR 20.A O no hydrogen 2.692 N/A THR 24.A OG1 PRO 116.A O no hydrogen 2.823 N/A LEU 25.A N GLU 21.A O no hydrogen 2.955 N/A THR 26.A N LEU 22.A O no hydrogen 3.063 N/A THR 26.A OG1 LEU 22.A O no hydrogen 2.643 N/A THR 26.A OG1 PHE 23.A O no hydrogen 3.260 N/A TYR 27.A N PHE 23.A O no hydrogen 3.119 N/A TYR 27.A OH TYR 133.A O no hydrogen 2.495 N/A GLY 28.A N THR 24.A O no hydrogen 2.764 N/A SER 29.A N LEU 25.A O no hydrogen 2.838 N/A ILE 30.A N THR 26.A O no hydrogen 2.962 N/A VAL 31.A N TYR 27.A O no hydrogen 2.838 N/A ALA 32.A N GLY 28.A O no hydrogen 3.010 N/A GLN 33.A N SER 29.A O no hydrogen 2.909 N/A LEU 34.A N ILE 30.A O no hydrogen 2.885 N/A CYS 35.A N VAL 31.A O no hydrogen 2.983 N/A CYS 35.A SG VAL 31.A O no hydrogen 3.165 N/A GLN 36.A N ALA 32.A O no hydrogen 3.323 N/A ASP 37.A N GLN 33.A O no hydrogen 3.175 N/A TYR 38.A N LEU 34.A O no hydrogen 3.044 N/A GLU 39.A N GLN 36.A O no hydrogen 3.296 N/A ARG 40.A N CYS 35.A O no hydrogen 3.100 N/A ARG 40.A NH1 ASP 126.A OD2 no hydrogen 3.020 N/A ASP 41.A N TYR 38.A O no hydrogen 2.924 N/A LYS 44.A N ASP 41.A O no hydrogen 2.406 N/A ASN 46.A N PHE 42.A O no hydrogen 3.276 N/A ASN 46.A ND2 ASN 43.A O no hydrogen 3.028 N/A ASP 47.A N ASN 43.A O no hydrogen 3.244 N/A HIS 48.A N LYS 44.A O no hydrogen 2.717 N/A LEU 49.A N VAL 45.A O no hydrogen 2.565 N/A TYR 50.A N ASN 46.A O no hydrogen 2.767 N/A SER 51.A N ASP 47.A O no hydrogen 3.137 N/A SER 51.A OG HIS 48.A O no hydrogen 2.867 N/A MET 52.A N HIS 48.A O no hydrogen 2.963 N/A GLY 53.A N LEU 49.A O no hydrogen 2.802 N/A TYR 54.A N TYR 50.A O no hydrogen 2.809 N/A ASN 55.A N SER 51.A O no hydrogen 3.212 N/A ILE 56.A N MET 52.A O no hydrogen 3.351 N/A GLY 57.A N GLY 53.A O no hydrogen 2.823 N/A CYS 58.A N TYR 54.A O no hydrogen 3.011 N/A CYS 58.A SG TYR 54.A O no hydrogen 3.605 N/A CYS 58.A SG GLY 143.A O no hydrogen 3.732 N/A LEU 60.A N ILE 56.A O no hydrogen 2.906 N/A ILE 61.A N GLY 57.A O no hydrogen 3.281 N/A PHE 64.A N LEU 60.A O no hydrogen 3.012 N/A LEU 65.A N ILE 61.A O no hydrogen 2.573 N/A ALA 66.A N GLU 62.A O no hydrogen 2.739 N/A ARG 67.A N ASP 63.A O no hydrogen 2.748 N/A THR 68.A N PHE 64.A O no hydrogen 2.991 N/A THR 68.A OG1 PHE 64.A O no hydrogen 3.045 N/A THR 68.A OG1 THR 68.A O no hydrogen 2.580 N/A CYS 73.A SG PRO 71.A O no hydrogen 3.559 N/A THR 79.A N ASN 75.A O no hydrogen 2.863 N/A THR 79.A OG1 ASN 75.A O no hydrogen 3.501 N/A SER 80.A N LEU 76.A O no hydrogen 2.722 N/A SER 80.A OG LEU 76.A O no hydrogen 2.478 N/A SER 80.A OG VAL 77.A O no hydrogen 3.122 N/A GLU 81.A N VAL 77.A O no hydrogen 3.383 N/A VAL 82.A N LYS 78.A O no hydrogen 3.398 N/A LEU 83.A N THR 79.A O no hydrogen 2.507 N/A SER 84.A N SER 80.A O no hydrogen 2.814 N/A SER 84.A OG PRO 96.A O no hydrogen 3.021 N/A LYS 85.A N GLU 81.A O no hydrogen 2.917 N/A CYS 86.A N VAL 82.A O no hydrogen 2.916 N/A CYS 86.A SG LEU 3.A O no hydrogen 3.572 N/A ALA 87.A N LEU 83.A O no hydrogen 3.285 N/A ILE 90.A N CYS 86.A O no hydrogen 3.254 N/A PHE 91.A N ALA 87.A O no hydrogen 3.027 N/A LEU 92.A N PHE 88.A O no hydrogen 2.809 N/A ASN 93.A ND2 ASN 93.A O no hydrogen 2.666 N/A THR 95.A OG1 THR 95.A O no hydrogen 2.606 N/A THR 99.A N SER 109.A O no hydrogen 3.100 N/A THR 99.A OG1 ASN 97.A O no hydrogen 2.900 N/A SER 102.A N THR 107.A O no hydrogen 3.037 N/A SER 102.A OG HIS 103.A ND1 no hydrogen 3.418 N/A SER 102.A OG ASN 104.A OD1 no hydrogen 2.746 N/A ASN 104.A ND2 ASP 106.A OD2 no hydrogen 2.374 N/A LYS 105.A N SER 102.A O no hydrogen 2.911 N/A THR 107.A OG1 ASP 106.A O no hydrogen 2.565 N/A THR 107.A OG1 VAL 171.A O no hydrogen 2.928 N/A SER 109.A N THR 99.A O no hydrogen 2.678 N/A LEU 110.A N ILE 169.A O no hydrogen 2.752 N/A LEU 112.A N THR 167.A O no hydrogen 2.749 N/A ASN 115.A ND2 SER 134.A OG no hydrogen 2.979 N/A ALA 118.A N ASN 115.A O no hydrogen 3.067 N/A ASP 119.A N PRO 116.A O no hydrogen 3.311 N/A GLU 122.A N PHE 120.A O no hydrogen 2.862 N/A ALA 127.A N PRO 124.A O no hydrogen 2.612 N/A MET 128.A N PRO 124.A O no hydrogen 3.445 N/A SER 130.A N ALA 127.A O no hydrogen 2.693 N/A TRP 132.A N ASN 46.A OD1 no hydrogen 2.626 N/A ASN 135.A ND2 TRP 132.A O no hydrogen 2.510 N/A LEU 137.A N SER 134.A O no hydrogen 2.967 N/A GLY 139.A N ASN 135.A O no hydrogen 3.238 N/A VAL 140.A N ILE 136.A O no hydrogen 3.007 N/A LEU 141.A N LEU 137.A O no hydrogen 3.031 N/A LYS 142.A N CYS 138.A O no hydrogen 2.802 N/A LYS 142.A NZ TYR 50.A OH no hydrogen 3.473 N/A LYS 142.A NZ CYS 152.A O no hydrogen 3.287 N/A GLY 143.A N GLY 139.A O no hydrogen 2.926 N/A SER 144.A N VAL 140.A O no hydrogen 2.795 N/A LEU 145.A N LEU 141.A O no hydrogen 2.739 N/A GLU 146.A N LYS 142.A O no hydrogen 2.737 N/A MET 147.A N GLY 143.A O no hydrogen 3.207 N/A VAL 148.A N LEU 145.A O no hydrogen 2.965 N/A GLN 149.A N GLU 146.A O no hydrogen 3.077 N/A LEU 150.A N LEU 145.A O no hydrogen 2.878 N/A CYS 152.A SG LEU 150.A O no hydrogen 3.014 N/A ASP 153.A N LYS 172.A O no hydrogen 2.882 N/A TRP 155.A N LYS 170.A O no hydrogen 3.245 N/A SER 158.A N GLU 168.A OE2 no hydrogen 3.085 N/A ILE 160.A N THR 167.A OG1 no hydrogen 2.701 N/A LEU 161.A N ASP 159.A OD1 no hydrogen 2.702 N/A ARG 162.A N ASP 159.A O no hydrogen 2.875 N/A GLU 168.A N SER 158.A O no hydrogen 3.329 N/A LYS 170.A N TRP 155.A O no hydrogen 2.858 N/A VAL 171.A N PHE 108.A O no hydrogen 3.067 N/A LYS 172.A N ASP 153.A O no hydrogen 2.867 N/A LEU 173.A N ASP 106.A O no hydrogen 3.101 N/A ARG 175.A N ASN 174.A OD1 no hydrogen 3.199 N/A LEU 177.A N GLN 149.A O no hydrogen 3.040 N/A ASP 186.A N ILE 183.A O no hydrogen 3.057 N/A