Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1shk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLU 3.A OE1 no hydrogen 2.775 N/A ILE 5.A N ARG 73.A O no hydrogen 3.102 N/A PHE 6.A N THR 96.A O no hydrogen 2.911 N/A MET 7.A N VAL 75.A O no hydrogen 2.819 N/A VAL 8.A N VAL 98.A O no hydrogen 2.827 N/A CYS 13.A N ALA 10.A O no hydrogen 2.929 N/A CYS 13.A SG ALA 10.A O no hydrogen 3.109 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.007 N/A LYS 15.A NZ THR 77.A O no hydrogen 2.780 N/A THR 16.A OG1 ASP 32.A OD2 no hydrogen 2.545 N/A VAL 18.A N GLY 14.A O no hydrogen 2.814 N/A GLY 19.A N LYS 15.A O no hydrogen 2.806 N/A ARG 20.A N THR 16.A O no hydrogen 2.914 N/A GLU 21.A N THR 17.A O no hydrogen 3.094 N/A LEU 22.A N VAL 18.A O no hydrogen 2.775 N/A ALA 23.A N GLY 19.A O no hydrogen 2.972 N/A ARG 24.A N ARG 20.A O no hydrogen 2.981 N/A ARG 24.A NH2.B GLU 21.A OE1.A no hydrogen 1.802 N/A ALA 25.A N GLU 21.A O no hydrogen 3.063 N/A LEU 26.A N LEU 22.A O no hydrogen 2.934 N/A GLY 27.A N ARG 24.A O no hydrogen 3.206 N/A TYR 28.A N ALA 23.A O no hydrogen 2.764 N/A GLU 29.A N ASN 72.A O no hydrogen 2.880 N/A VAL 31.A N VAL 74.A O no hydrogen 3.055 N/A THR 33.A N ALA 76.A O no hydrogen 2.857 N/A THR 33.A OG1 ALA 76.A O no hydrogen 3.279 N/A ILE 35.A N ASP 32.A OD1 no hydrogen 2.991 N/A PHE 36.A N ASP 32.A O no hydrogen 2.899 N/A MET 37.A N THR 33.A O no hydrogen 2.963 N/A GLN 38.A N ASP 34.A O no hydrogen 3.089 N/A HIS 39.A N ILE 35.A O no hydrogen 3.040 N/A THR 40.A N PHE 36.A O no hydrogen 3.076 N/A THR 40.A OG1 PHE 36.A O no hydrogen 2.586 N/A THR 40.A OG1 MET 37.A O no hydrogen 3.349 N/A SER 41.A N MET 37.A O no hydrogen 2.960 N/A SER 41.A OG MET 37.A O no hydrogen 2.674 N/A GLY 42.A N GLN 38.A O no hydrogen 2.778 N/A MET 43.A N SER 41.A OG no hydrogen 3.008 N/A THR 44.A N ASP 47.A OD2 no hydrogen 2.906 N/A ASP 47.A N THR 44.A OG1 no hydrogen 2.945 N/A VAL 48.A N THR 44.A O no hydrogen 2.924 N/A VAL 49.A N VAL 45.A O no hydrogen 2.841 N/A ALA 50.A N ALA 46.A O no hydrogen 2.813 N/A ALA 51.A N ASP 47.A O no hydrogen 3.068 N/A GLU 52.A N VAL 48.A O no hydrogen 2.854 N/A GLY 53.A N VAL 49.A O no hydrogen 2.695 N/A GLY 56.A N GLU 52.A O no hydrogen 3.200 N/A PHE 57.A N GLY 53.A O no hydrogen 3.011 N/A ARG 58.A N TRP 54.A O no hydrogen 2.830 N/A ARG 58.A NH1 GLU 61.A OE1 no hydrogen 2.802 N/A ARG 59.A N PRO 55.A O no hydrogen 3.185 N/A ARG 60.A N GLY 56.A O no hydrogen 3.048 N/A ARG 60.A NE GLU 52.A OE1 no hydrogen 2.910 N/A ARG 60.A NH2 GLU 52.A OE2 no hydrogen 2.690 N/A GLU 61.A N PHE 57.A O no hydrogen 2.824 N/A SER 62.A N ARG 58.A O no hydrogen 2.887 N/A SER 62.A OG ARG 58.A O no hydrogen 3.345 N/A SER 62.A OG ASN 87.A OD1 no hydrogen 2.651 N/A GLU 63.A N ARG 59.A O no hydrogen 2.914 N/A ALA 64.A N ARG 60.A O no hydrogen 2.831 N/A LEU 65.A N GLU 61.A O no hydrogen 2.962 N/A GLN 66.A N SER 62.A O no hydrogen 3.265 N/A ALA 67.A N GLU 63.A O no hydrogen 2.861 N/A VAL 68.A N ALA 64.A O no hydrogen 2.939 N/A ALA 69.A N LEU 65.A O no hydrogen 3.081 N/A ASN 72.A N THR 2.A O no hydrogen 2.791 N/A ARG 73.A NE GLU 29.A OE1 no hydrogen 2.976 N/A ARG 73.A NH1 VAL 68.A O no hydrogen 2.698 N/A ARG 73.A NH2 GLU 29.A OE1 no hydrogen 2.870 N/A VAL 74.A N GLU 29.A O no hydrogen 2.878 N/A VAL 75.A N ILE 5.A O no hydrogen 2.762 N/A ALA 76.A N VAL 31.A O no hydrogen 2.795 N/A THR 77.A N MET 7.A O no hydrogen 3.187 N/A THR 77.A OG1 MET 7.A O no hydrogen 2.586 N/A MET 81.A N GLY 78.A O no hydrogen 3.015 N/A LEU 83.A N GLY 80.A O no hydrogen 3.121 N/A ASN 87.A N LEU 84.A O no hydrogen 2.973 N/A ASN 87.A ND2 MET 81.A O no hydrogen 2.944 N/A ARG 88.A N LEU 84.A O no hydrogen 3.196 N/A ARG 88.A NH1 VAL 82.A O no hydrogen 2.825 N/A GLN 89.A N GLU 85.A O no hydrogen 3.006 N/A PHE 90.A N GLN 86.A O no hydrogen 2.971 N/A MET 91.A N ASN 87.A O no hydrogen 3.072 N/A ARG 92.A N ARG 88.A O no hydrogen 3.192 N/A ARG 92.A NH1 VAL 131.A O no hydrogen 2.948 N/A ARG 92.A NH1 ALA 132.A O no hydrogen 2.976 N/A ALA 93.A N GLN 89.A O no hydrogen 2.832 N/A HIS 94.A N PHE 90.A O no hydrogen 2.852 N/A HIS 94.A ND1 PHE 90.A O no hydrogen 3.142 N/A GLY 95.A N MET 91.A O no hydrogen 2.981 N/A THR 96.A N PRO 4.A O no hydrogen 2.892 N/A THR 96.A OG1 GLU 3.A OE2 no hydrogen 2.630 N/A VAL 97.A N HIS 133.A ND1 no hydrogen 2.933 N/A VAL 98.A N PHE 6.A O no hydrogen 2.868 N/A TYR 99.A N TYR 134.A O no hydrogen 2.922 N/A TYR 99.A OH GLU 125.A OE1 no hydrogen 2.352 N/A LEU 100.A N VAL 8.A O no hydrogen 2.832 N/A PHE 101.A N VAL 136.A O no hydrogen 2.995 N/A LEU 107.A N PRO 103.A O no hydrogen 2.871 N/A ALA 108.A N ALA 104.A O no hydrogen 2.765 N/A LEU 109.A N GLU 105.A O no hydrogen 2.874 N/A ARG 110.A N GLU 106.A O no hydrogen 3.113 N/A ARG 110.A NE GLU 106.A OE2.B no hydrogen 3.003 N/A ARG 110.A NH1 GLY 12.A O no hydrogen 3.482 N/A MET 117.A N ILE 113.A O no hydrogen 3.046 N/A GLU 118.A N ALA 114.A O no hydrogen 3.141 N/A ALA 119.A N GLU 115.A O no hydrogen 3.135 N/A VAL 120.A N GLU 116.A O no hydrogen 2.934 N/A LEU 121.A N MET 117.A O no hydrogen 2.930 N/A ARG 122.A N GLU 118.A O no hydrogen 2.994 N/A GLU 123.A N ALA 119.A O no hydrogen 3.116 N/A ARG 124.A N VAL 120.A O no hydrogen 2.794 N/A ARG 124.A NE GLU 123.A OE1 no hydrogen 2.832 N/A ARG 124.A NH2 GLU 123.A OE1 no hydrogen 3.267 N/A GLU 125.A N LEU 121.A O no hydrogen 2.754 N/A TYR 128.A N ARG 124.A O no hydrogen 2.885 N/A TYR 128.A OH GLY 79.A O no hydrogen 2.541 N/A GLN 129.A N GLU 125.A O no hydrogen 3.002 N/A GLN 129.A NE2 GLU 125.A OE2 no hydrogen 3.077 N/A ASP 130.A N ALA 126.A O no hydrogen 2.823 N/A VAL 131.A N LEU 127.A O no hydrogen 3.011 N/A ALA 132.A N TYR 128.A O no hydrogen 2.959 N/A HIS 133.A N VAL 97.A O no hydrogen 2.790 N/A TYR 134.A N VAL 97.A O no hydrogen 3.067 N/A VAL 136.A N TYR 99.A O no hydrogen 3.094 N/A ALA 138.A N PHE 101.A O no hydrogen 2.811 N/A THR 139.A N ASP 137.A OD1 no hydrogen 2.958 N/A THR 139.A OG1 ASP 137.A OD1 no hydrogen 2.652 N/A THR 139.A OG1 ASP 137.A OD2 no hydrogen 3.468 N/A GLN 140.A NE2 ASP 137.A O no hydrogen 3.062 N/A GLN 140.A NE2 GLU 148.A OE1 no hydrogen 2.808 N/A ILE 145.A N PRO 141.A O no hydrogen 3.167 N/A VAL 146.A N PRO 142.A O no hydrogen 2.866 N/A CYS 147.A N ALA 143.A O no hydrogen 3.053 N/A CYS 147.A SG ALA 143.A O no hydrogen 3.228 N/A GLU 148.A N ALA 144.A O no hydrogen 3.044 N/A LEU 149.A N ILE 145.A O no hydrogen 2.702 N/A MET 150.A N VAL 146.A O no hydrogen 3.089 N/A GLN 151.A N CYS 147.A O no hydrogen 3.187 N/A THR 152.A N GLU 148.A O no hydrogen 2.872 N/A THR 152.A OG1 GLU 148.A O no hydrogen 3.270 N/A MET 153.A N LEU 149.A O no hydrogen 2.789 N/A ARG 154.A N GLN 151.A O no hydrogen 3.277 N/A LEU 155.A N MET 150.A O no hydrogen 3.097 N/A ALA 158.A N ALA 25.A O no hydrogen 2.794 N/A