Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hep_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLU 6.A OE1 no hydrogen 2.696 N/A SER 3.A OG GLU 6.A OE1 no hydrogen 3.386 N/A GLU 6.A N SER 3.A OG no hydrogen 3.213 N/A TRP 7.A N SER 3.A O no hydrogen 2.929 N/A GLN 8.A N ASP 4.A O no hydrogen 2.962 N/A GLN 9.A N GLY 5.A O no hydrogen 3.208 N/A VAL 10.A N GLU 6.A O no hydrogen 3.129 N/A LEU 11.A N TRP 7.A O no hydrogen 2.854 N/A ASN 12.A N GLN 8.A O no hydrogen 2.743 N/A ASN 12.A ND2 ASP 122.A OD2 no hydrogen 2.883 N/A VAL 13.A N GLN 9.A O no hydrogen 3.285 N/A TRP 14.A N VAL 10.A O no hydrogen 3.055 N/A GLY 15.A N LEU 11.A O no hydrogen 3.063 N/A LYS 16.A N VAL 13.A O no hydrogen 3.084 N/A VAL 17.A N VAL 13.A O no hydrogen 3.401 N/A GLU 18.A N TRP 14.A O no hydrogen 3.149 N/A ASP 20.A N VAL 17.A O no hydrogen 3.079 N/A GLY 23.A N ASP 20.A OD1 no hydrogen 3.145 N/A HIS 24.A N ASP 20.A O no hydrogen 3.316 N/A HIS 24.A ND1 ASP 20.A O no hydrogen 2.691 N/A HIS 24.A NE2 HIS 119.A NE2 no hydrogen 2.601 N/A GLY 25.A N ILE 21.A O no hydrogen 2.813 N/A GLN 26.A N ALA 22.A O no hydrogen 2.955 N/A GLN 26.A NE2 LYS 56.A O no hydrogen 3.372 N/A GLU 27.A N GLY 23.A O no hydrogen 3.145 N/A VAL 28.A N HIS 24.A O no hydrogen 2.856 N/A LEU 29.A N GLY 25.A O no hydrogen 3.057 N/A ILE 30.A N GLN 26.A O no hydrogen 2.934 N/A ARG 31.A N GLU 27.A O no hydrogen 2.953 N/A LEU 32.A N VAL 28.A O no hydrogen 2.918 N/A PHE 33.A N LEU 29.A O no hydrogen 2.837 N/A THR 34.A N ILE 30.A O no hydrogen 2.959 N/A THR 34.A OG1 ILE 30.A O no hydrogen 2.667 N/A THR 34.A OG1 ARG 31.A O no hydrogen 3.232 N/A GLY 35.A N ARG 31.A O no hydrogen 2.900 N/A HIS 36.A N LEU 32.A O no hydrogen 2.803 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.734 N/A THR 39.A N HIS 36.A O no hydrogen 2.965 N/A THR 39.A OG1 HIS 36.A O no hydrogen 2.785 N/A LEU 40.A N PRO 37.A O no hydrogen 3.063 N/A LYS 42.A N THR 39.A O no hydrogen 3.123 N/A LYS 42.A NZ LYS 98.A O no hydrogen 2.890 N/A PHE 43.A N LEU 40.A O no hydrogen 3.123 N/A PHE 46.A N PHE 43.A O no hydrogen 3.181 N/A LYS 47.A N PHE 43.A O no hydrogen 2.851 N/A LYS 47.A NZ ASP 44.A OD1 no hydrogen 3.312 N/A LEU 49.A N PHE 46.A O no hydrogen 3.091 N/A LYS 50.A N GLU 54.A OE1 no hydrogen 2.879 N/A THR 51.A N GLU 54.A OE1 no hydrogen 3.269 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.065 N/A MET 55.A N THR 51.A O no hydrogen 2.860 N/A LYS 56.A N GLU 52.A O no hydrogen 2.892 N/A LYS 56.A NZ GLU 52.A OE2 no hydrogen 3.001 N/A ALA 57.A N ALA 53.A O no hydrogen 3.066 N/A SER 58.A N GLU 54.A O no hydrogen 3.071 N/A LEU 61.A N SER 58.A OG no hydrogen 2.887 N/A LYS 62.A N SER 58.A O no hydrogen 3.373 N/A LYS 62.A NZ GLU 59.A OE2 no hydrogen 3.401 N/A LYS 63.A N GLU 59.A O no hydrogen 3.064 N/A VAL 64.A N ASP 60.A O no hydrogen 2.976 N/A GLY 65.A N LEU 61.A O no hydrogen 2.845 N/A THR 66.A N LYS 62.A O no hydrogen 2.967 N/A THR 66.A OG1 LYS 62.A O no hydrogen 2.763 N/A VAL 67.A N LYS 63.A O no hydrogen 2.986 N/A VAL 68.A N VAL 64.A O no hydrogen 3.132 N/A LEU 69.A N GLY 65.A O no hydrogen 3.268 N/A THR 70.A N THR 66.A O no hydrogen 2.920 N/A THR 70.A OG1 THR 66.A O no hydrogen 2.734 N/A ALA 71.A N VAL 67.A O no hydrogen 3.024 N/A LEU 72.A N VAL 68.A O no hydrogen 2.767 N/A GLY 73.A N LEU 69.A O no hydrogen 2.833 N/A GLY 74.A N THR 70.A O no hydrogen 3.063 N/A ILE 75.A N ALA 71.A O no hydrogen 3.256 N/A LEU 76.A N LEU 72.A O no hydrogen 3.066 N/A LYS 77.A N GLY 73.A O no hydrogen 3.053 N/A LYS 77.A NZ GLU 18.A OE1 no hydrogen 2.868 N/A LYS 78.A N ILE 75.A O no hydrogen 3.107 N/A LYS 79.A N LEU 76.A O no hydrogen 2.874 N/A HIS 81.A N LYS 78.A O no hydrogen 2.860 N/A HIS 82.A NE2 ASP 141.A OD2 no hydrogen 2.655 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.953 N/A LEU 86.A N HIS 82.A O no hydrogen 2.832 N/A LYS 87.A N GLU 83.A O no hydrogen 3.047 N/A ALA 90.A N LEU 86.A O no hydrogen 2.986 N/A GLN 91.A N LYS 87.A O no hydrogen 3.162 N/A SER 92.A N PRO 88.A O no hydrogen 3.085 N/A SER 92.A OG PRO 88.A O no hydrogen 3.360 N/A SER 92.A OG LEU 89.A O no hydrogen 3.238 N/A SER 92.A OG HIS 93.A ND1 no hydrogen 2.856 N/A HIS 93.A N LEU 89.A O no hydrogen 3.010 N/A HIS 93.A ND1 LEU 89.A O no hydrogen 3.093 N/A HIS 93.A ND1 SER 92.A OG no hydrogen 2.856 N/A ALA 94.A N ALA 90.A O no hydrogen 2.909 N/A ALA 94.A N GLN 91.A O no hydrogen 3.308 N/A THR 95.A N SER 92.A O no hydrogen 3.415 N/A THR 95.A OG1 GLN 91.A O no hydrogen 2.722 N/A HIS 97.A N SER 92.A O no hydrogen 2.922 N/A LYS 98.A NZ ALA 94.A O no hydrogen 3.044 N/A ILE 99.A N HIS 93.A O no hydrogen 2.917 N/A ILE 101.A N GLY 153.A O no hydrogen 2.857 N/A LEU 104.A N PRO 100.A O no hydrogen 3.451 N/A GLU 105.A N ILE 101.A O no hydrogen 3.002 N/A PHE 106.A N LYS 102.A O no hydrogen 3.005 N/A ILE 107.A N TYR 103.A O no hydrogen 3.006 N/A SER 108.A N LEU 104.A O no hydrogen 3.059 N/A SER 108.A OG LEU 104.A O no hydrogen 2.900 N/A ASP 109.A N GLU 105.A O no hydrogen 3.001 N/A ALA 110.A N PHE 106.A O no hydrogen 2.956 N/A ILE 111.A N ILE 107.A O no hydrogen 2.906 N/A ILE 112.A N SER 108.A O no hydrogen 2.990 N/A HIS 113.A N ASP 109.A O no hydrogen 2.898 N/A VAL 114.A N ALA 110.A O no hydrogen 2.907 N/A LEU 115.A N ILE 111.A O no hydrogen 2.967 N/A HIS 116.A N ILE 112.A O no hydrogen 3.068 N/A SER 117.A N HIS 113.A O no hydrogen 3.070 N/A LYS 118.A N VAL 114.A O no hydrogen 2.722 N/A LYS 118.A NZ GLU 27.A OE2 no hydrogen 2.797 N/A HIS 119.A N LEU 115.A O no hydrogen 2.828 N/A HIS 119.A NE2 HIS 24.A NE2 no hydrogen 2.601 N/A ASP 122.A N HIS 119.A O no hydrogen 2.971 N/A PHE 123.A N PRO 120.A O no hydrogen 3.095 N/A GLN 128.A N GLY 124.A O no hydrogen 2.957 N/A GLY 129.A N ALA 125.A O no hydrogen 3.119 N/A ALA 130.A N ASP 126.A O no hydrogen 2.902 N/A MET 131.A N ALA 127.A O no hydrogen 2.900 N/A THR 132.A N GLN 128.A O no hydrogen 2.814 N/A THR 132.A OG1 GLN 128.A O no hydrogen 2.734 N/A LYS 133.A N GLY 129.A O no hydrogen 2.964 N/A LYS 133.A NZ GLU 6.A OE1 no hydrogen 2.948 N/A LYS 133.A NZ GLU 6.A OE2 no hydrogen 2.806 N/A ALA 134.A N ALA 130.A O no hydrogen 2.968 N/A LEU 135.A N MET 131.A O no hydrogen 2.873 N/A GLU 136.A N THR 132.A O no hydrogen 2.976 N/A LEU 137.A N LYS 133.A O no hydrogen 3.093 N/A PHE 138.A N ALA 134.A O no hydrogen 3.155 N/A ARG 139.A N LEU 135.A O no hydrogen 3.030 N/A ASN 140.A N GLU 136.A O no hydrogen 2.831 N/A ASP 141.A N LEU 137.A O no hydrogen 2.907 N/A ILE 142.A N PHE 138.A O no hydrogen 3.003 N/A ALA 143.A N ARG 139.A O no hydrogen 2.800 N/A ALA 144.A N ASN 140.A O no hydrogen 3.064 N/A LYS 145.A N ASP 141.A O no hydrogen 3.222 N/A LYS 145.A NZ GLU 83.A OE1 no hydrogen 2.729 N/A LYS 145.A NZ GLU 83.A OE2 no hydrogen 3.067 N/A TYR 146.A N ILE 142.A O no hydrogen 2.776 N/A TYR 146.A OH ILE 99.A O no hydrogen 2.939 N/A LYS 147.A N ALA 143.A O no hydrogen 3.159 N/A LEU 149.A N LYS 145.A O no hydrogen 3.065 N/A GLY 150.A N LYS 147.A O no hydrogen 3.135 N/A PHE 151.A N TYR 146.A O no hydrogen 2.975 N/A