Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N HIS 62.A O no hydrogen 2.928 N/A PHE 3.A N ALA 38.A O no hydrogen 2.895 N/A ILE 4.A N SER 60.A O no hydrogen 3.033 N/A VAL 5.A N HIS 40.A O no hydrogen 2.878 N/A ASN 6.A N LEU 58.A O no hydrogen 2.875 N/A THR 7.A N VAL 42.A O no hydrogen 2.843 N/A THR 7.A OG1 CYS 56.A O no hydrogen 2.712 N/A ASN 8.A ND2 GLU 54.A O no hydrogen 3.095 N/A VAL 9.A N THR 7.A OG1 no hydrogen 3.171 N/A ARG 11.A N ASP 44.A OD2 no hydrogen 3.021 N/A SER 13.A N PRO 10.A O no hydrogen 2.989 N/A VAL 14.A N ARG 11.A O no hydrogen 2.991 N/A PHE 18.A N PRO 15.A O no hydrogen 3.083 N/A GLU 21.A N GLY 17.A O no hydrogen 2.864 N/A LEU 22.A N PHE 18.A O no hydrogen 2.926 N/A THR 23.A N LEU 19.A O no hydrogen 3.028 N/A THR 23.A OG1 LEU 19.A O no hydrogen 2.838 N/A GLN 24.A N SER 20.A O no hydrogen 2.964 N/A GLN 25.A N GLU 21.A O no hydrogen 2.860 N/A GLN 25.A NE2 GLU 21.A OE2 no hydrogen 3.102 N/A LEU 26.A N LEU 22.A O no hydrogen 2.892 N/A ALA 27.A N THR 23.A O no hydrogen 2.984 N/A GLN 28.A N GLN 24.A O no hydrogen 3.092 N/A ALA 29.A N GLN 25.A O no hydrogen 2.864 N/A THR 30.A N LEU 26.A O no hydrogen 2.975 N/A THR 30.A OG1 LEU 26.A O no hydrogen 2.775 N/A GLY 31.A N ALA 27.A O no hydrogen 2.913 N/A LYS 32.A N THR 30.A OG1 no hydrogen 3.245 N/A TYR 36.A N PRO 33.A O no hydrogen 3.092 N/A ILE 37.A N PRO 34.A O no hydrogen 2.989 N/A ALA 38.A N PRO 1.A O no hydrogen 3.214 N/A HIS 40.A N PHE 3.A O no hydrogen 2.945 N/A VAL 42.A N VAL 5.A O no hydrogen 2.787 N/A ASP 44.A N VAL 9.A O no hydrogen 2.866 N/A GLN 45.A N THR 7.A O no hydrogen 2.919 N/A GLN 45.A NE2 PRO 43.A O no hydrogen 3.009 N/A PHE 49.A N SER 52.A O no hydrogen 3.043 N/A SER 52.A N PHE 49.A O no hydrogen 3.128 N/A GLU 54.A N SER 52.A OG no hydrogen 3.075 N/A CYS 56.A N ASN 8.A OD1 no hydrogen 2.907 N/A CYS 56.A SG GLU 54.A O no hydrogen 3.843 N/A ALA 57.A N ARG 93.A O no hydrogen 2.879 N/A LEU 58.A N ASN 6.A O no hydrogen 2.963 N/A CYS 59.A N TYR 95.A O no hydrogen 2.933 N/A SER 60.A N ILE 4.A O no hydrogen 2.908 N/A LEU 61.A N ASN 97.A O no hydrogen 2.912 N/A HIS 62.A N MET 2.A O no hydrogen 2.957 N/A SER 63.A N TYR 99.A O no hydrogen 3.062 N/A SER 63.A OG GLY 65.A O no hydrogen 2.614 N/A GLY 65.A N ASP 100.A OD1 no hydrogen 2.958 N/A GLY 68.A N ASN 72.A OD1 no hydrogen 3.211 N/A ASN 72.A N GLY 68.A O no hydrogen 2.828 N/A ARG 73.A N GLY 69.A O no hydrogen 3.248 N/A SER 74.A N ALA 70.A O no hydrogen 3.064 N/A TYR 75.A N GLN 71.A O no hydrogen 2.885 N/A TYR 75.A OH LYS 66.A O no hydrogen 2.605 N/A SER 76.A N ASN 72.A O no hydrogen 2.914 N/A SER 76.A OG ASN 72.A O no hydrogen 2.802 N/A SER 76.A OG TYR 98.A OH no hydrogen 2.767 N/A LYS 77.A N ARG 73.A O no hydrogen 3.103 N/A LEU 78.A N SER 74.A O no hydrogen 3.023 N/A LEU 79.A N TYR 75.A O no hydrogen 2.837 N/A CYS 80.A N SER 76.A O no hydrogen 2.823 N/A GLY 81.A N LYS 77.A O no hydrogen 2.919 N/A LEU 82.A N LEU 78.A O no hydrogen 2.943 N/A LEU 83.A N LEU 79.A O no hydrogen 2.947 N/A ALA 84.A N CYS 80.A O no hydrogen 2.891 N/A GLU 85.A N GLY 81.A O no hydrogen 2.873 N/A ARG 86.A N LEU 82.A O no hydrogen 2.789 N/A ARG 86.A NE GLU 21.A OE1 no hydrogen 2.798 N/A ARG 86.A NH2 GLU 21.A OE1 no hydrogen 3.475 N/A ARG 86.A NH2 GLU 21.A OE2 no hydrogen 2.775 N/A LEU 87.A N LEU 83.A O no hydrogen 3.034 N/A ARG 88.A N ALA 84.A O no hydrogen 3.089 N/A ILE 89.A N LEU 83.A O no hydrogen 3.204 N/A ARG 93.A N SER 90.A O no hydrogen 2.897 N/A ARG 93.A NE PRO 55.A O no hydrogen 2.880 N/A ARG 93.A NH1 PHE 49.A O no hydrogen 2.932 N/A ARG 93.A NH2 PHE 49.A O no hydrogen 3.393 N/A ARG 93.A NH2 SER 52.A O no hydrogen 2.895 N/A ARG 93.A NH2 GLU 54.A O no hydrogen 2.860 N/A TYR 95.A N ALA 57.A O no hydrogen 3.112 N/A ASN 97.A N CYS 59.A O no hydrogen 2.913 N/A TYR 98.A OH SER 76.A OG no hydrogen 2.767 N/A TYR 99.A N LEU 61.A O no hydrogen 2.935 N/A MET 101.A N SER 63.A O no hydrogen 2.846 N/A ALA 104.A N ASN 102.A OD1 no hydrogen 2.910 N/A ASN 105.A N ASN 102.A O no hydrogen 2.791 N/A VAL 106.A N ALA 103.A O no hydrogen 3.244 N/A TRP 108.A N SER 111.A O no hydrogen 2.740 N/A SER 111.A N TRP 108.A O no hydrogen 3.086 N/A THR 112.A N SER 111.A OG no hydrogen 2.659 N/A PHE 113.A N VAL 106.A O no hydrogen 3.154 N/A