Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kyj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N MET 1.A O no hydrogen 3.154 N/A ALA 6.A N ASP 2.A O no hydrogen 3.009 N/A LEU 7.A N GLU 3.A O no hydrogen 2.981 N/A TYR 8.A N ILE 4.A O no hydrogen 2.865 N/A TYR 8.A OH THR 101.A OG1 no hydrogen 2.738 N/A ALA 9.A N TRP 5.A O no hydrogen 3.159 N/A ASP 10.A N ALA 6.A O no hydrogen 3.014 N/A ASP 11.A N LEU 7.A O no hydrogen 2.815 N/A GLY 12.A N TYR 8.A O no hydrogen 2.952 N/A ALA 13.A N ALA 9.A O no hydrogen 3.028 N/A GLN 14.A N ASP 10.A O no hydrogen 3.133 N/A ALA 15.A N ASP 11.A O no hydrogen 2.979 N/A LEU 16.A N GLY 12.A O no hydrogen 2.913 N/A ASP 17.A N ALA 13.A O no hydrogen 2.866 N/A ALA 18.A N GLN 14.A O no hydrogen 3.041 N/A MET 19.A N ALA 15.A O no hydrogen 2.891 N/A GLU 20.A N LEU 16.A O no hydrogen 2.865 N/A ALA 21.A N ASP 17.A O no hydrogen 2.889 N/A SER 22.A N ALA 18.A O no hydrogen 3.075 N/A SER 22.A OG ALA 18.A O no hydrogen 3.136 N/A LEU 23.A N MET 19.A O no hydrogen 3.126 N/A LEU 24.A N GLU 20.A O no hydrogen 2.886 N/A ALA 25.A N ALA 21.A O no hydrogen 2.956 N/A LEU 26.A N SER 22.A O no hydrogen 3.006 N/A GLN 27.A N LEU 23.A O no hydrogen 2.889 N/A ALA 28.A N LEU 24.A O no hydrogen 3.008 N/A ALA 28.A N ALA 25.A O no hydrogen 3.162 N/A GLY 29.A N LEU 26.A O no hydrogen 3.002 N/A GLU 30.A N ALA 25.A O no hydrogen 3.046 N/A ALA 33.A N ASP 31.A OD2 no hydrogen 2.752 N/A ALA 34.A N ASP 31.A O no hydrogen 3.090 N/A HIS 35.A N ALA 32.A O no hydrogen 3.009 N/A HIS 35.A NE2 GLU 30.A OE1 no hydrogen 2.709 N/A VAL 36.A N ALA 32.A O no hydrogen 2.964 N/A LEU 39.A N HIS 35.A O no hydrogen 2.941 N/A PHE 40.A N VAL 36.A O no hydrogen 2.910 N/A ARG 41.A N GLY 37.A O no hydrogen 2.922 N/A ALA 42.A N PRO 38.A O no hydrogen 3.002 N/A VAL 43.A N LEU 39.A O no hydrogen 3.111 N/A HIS 44.A N PHE 40.A O no hydrogen 2.829 N/A HIS 44.A ND1 GLU 66.A OE1 no hydrogen 2.589 N/A THR 45.A N ARG 41.A O no hydrogen 2.906 N/A THR 45.A OG1 ARG 41.A O no hydrogen 3.041 N/A PHE 46.A N ALA 42.A O no hydrogen 3.014 N/A LYS 47.A N VAL 43.A O no hydrogen 2.850 N/A LYS 47.A NZ GLU 66.A OE1 no hydrogen 3.376 N/A LYS 47.A NZ GLU 66.A OE2 no hydrogen 3.070 N/A GLY 48.A N HIS 44.A O no hydrogen 2.920 N/A ASN 49.A N THR 45.A O no hydrogen 2.904 N/A ASN 49.A ND2 ASP 11.A OD2 no hydrogen 2.876 N/A SER 50.A N PHE 46.A O no hydrogen 3.120 N/A SER 50.A OG.A LYS 47.A O no hydrogen 2.789 N/A SER 50.A OG.B PHE 46.A O no hydrogen 2.937 N/A ARG 51.A N LYS 47.A O no hydrogen 2.993 N/A ARG 51.A NE GLU 59.A OE2 no hydrogen 2.670 N/A ARG 51.A NH2 GLU 59.A OE2 no hydrogen 3.066 N/A VAL 52.A N GLY 48.A O no hydrogen 3.035 N/A GLY 54.A N ARG 51.A O no hydrogen 2.977 N/A LEU 55.A N SER 50.A O no hydrogen 2.943 N/A SER 56.A OG.B ASP 107.A OD2 no hydrogen 3.303 N/A VAL 57.A N ASP 107.A OD2 no hydrogen 2.739 N/A VAL 58.A N ASP 107.A OD1 no hydrogen 3.236 N/A GLU 59.A N LEU 55.A O no hydrogen 2.871 N/A SER 60.A N SER 56.A O no hydrogen 2.954 N/A SER 60.A OG SER 56.A O no hydrogen 3.510 N/A SER 60.A OG VAL 57.A O no hydrogen 2.697 N/A ARG 61.A N VAL 57.A O no hydrogen 3.375 N/A ARG 61.A N VAL 58.A O no hydrogen 3.126 N/A ARG 61.A NE SER 113.A OG no hydrogen 2.750 N/A ARG 61.A NH1 SER 60.A OG no hydrogen 3.001 N/A ARG 61.A NH2 GLY 110.A O no hydrogen 3.026 N/A ARG 61.A NH2 SER 113.A OG no hydrogen 3.115 N/A ALA 62.A N VAL 58.A O no hydrogen 3.216 N/A HIS 63.A N GLU 59.A O no hydrogen 2.799 N/A LEU 64.A N SER 60.A O no hydrogen 3.192 N/A CYS 65.A N ARG 61.A O no hydrogen 3.168 N/A CYS 65.A SG ARG 61.A O no hydrogen 3.433 N/A GLU 66.A N ALA 62.A O no hydrogen 2.917 N/A ASP 67.A N HIS 63.A O no hydrogen 2.929 N/A LEU 68.A N LEU 64.A O no hydrogen 3.117 N/A ILE 69.A N CYS 65.A O no hydrogen 2.983 N/A GLY 70.A N GLU 66.A O no hydrogen 2.792 N/A LEU 71.A N ASP 67.A O no hydrogen 3.092 N/A LEU 71.A N LEU 68.A O no hydrogen 3.118 N/A VAL 72.A N LEU 68.A O no hydrogen 3.458 N/A ARG 73.A N ILE 69.A O no hydrogen 2.982 N/A ARG 73.A NE ASP 74.A OD1 no hydrogen 2.965 N/A ARG 73.A NH2 ASP 74.A OD2 no hydrogen 3.169 N/A ASP 74.A N GLY 70.A O no hydrogen 2.781 N/A ALA 75.A N LEU 71.A O no hydrogen 2.903 N/A VAL 77.A N LEU 71.A O no hydrogen 3.269 N/A ASP 80.A N PRO 78.A O no hydrogen 2.856 N/A ILE 83.A N ASP 80.A OD1 no hydrogen 2.830 N/A VAL 84.A N ASP 80.A O no hydrogen 3.151 N/A GLU 85.A N GLY 81.A O no hydrogen 3.018 N/A ILE 86.A N GLU 82.A O no hydrogen 2.920 N/A LEU 87.A N ILE 83.A O no hydrogen 2.961 N/A LEU 88.A N VAL 84.A O no hydrogen 2.913 N/A PHE 89.A N GLU 85.A O no hydrogen 3.061 N/A ALA 90.A N ILE 86.A O no hydrogen 2.823 N/A SER 91.A N LEU 87.A O no hydrogen 2.804 N/A SER 91.A OG LEU 88.A O no hydrogen 2.769 N/A ASP 92.A N LEU 88.A O no hydrogen 3.115 N/A THR 93.A N PHE 89.A O no hydrogen 2.970 N/A THR 93.A OG1 PHE 89.A O no hydrogen 2.975 N/A LEU 94.A N ALA 90.A O no hydrogen 2.776 N/A ARG 95.A N.A SER 91.A O no hydrogen 2.966 N/A ARG 95.A N.B SER 91.A O no hydrogen 2.964 N/A ARG 95.A NH1.A ALA 13.A O no hydrogen 3.536 N/A ARG 95.A NH1.A ASP 17.A OD1 no hydrogen 3.371 N/A ARG 95.A NH1.B ASP 17.A OD1 no hydrogen 3.183 N/A ARG 95.A NH2.A ASP 17.A OD1 no hydrogen 2.698 N/A ARG 95.A NH2.B ASP 17.A OD1 no hydrogen 3.086 N/A ALA 96.A N ASP 92.A O no hydrogen 3.167 N/A MET 97.A N THR 93.A O no hydrogen 2.977 N/A LEU 98.A N LEU 94.A O no hydrogen 2.802 N/A GLU 99.A N ARG 95.A O.A no hydrogen 3.080 N/A GLU 99.A N ARG 95.A O.B no hydrogen 2.991 N/A GLU 100.A N ALA 96.A O no hydrogen 3.037 N/A THR 101.A N MET 97.A O no hydrogen 2.901 N/A THR 101.A OG1 TYR 8.A OH no hydrogen 2.738 N/A THR 101.A OG1 MET 97.A O no hydrogen 2.816 N/A THR 101.A OG1 LEU 98.A O no hydrogen 3.484 N/A ALA 102.A N LEU 98.A O no hydrogen 3.031 N/A ALA 103.A N GLU 100.A O no hydrogen 3.098 N/A SER 104.A N GLU 100.A O no hydrogen 2.944 N/A SER 104.A OG GLU 100.A O no hydrogen 3.240 N/A SER 104.A OG THR 101.A O no hydrogen 3.365 N/A SER 104.A OG ALA 106.A O no hydrogen 3.185 N/A ARG 105.A NH1 ASP 2.A OD1 no hydrogen 3.170 N/A ARG 105.A NH2 ASP 2.A OD1 no hydrogen 2.916 N/A ALA 106.A N SER 104.A OG no hydrogen 3.163 N/A VAL 108.A N ASP 107.A OD1 no hydrogen 2.934 N/A SER 113.A N GLY 110.A O no hydrogen 3.084 N/A SER 113.A OG GLY 110.A O no hydrogen 3.232 N/A GLU 114.A N THR 111.A O no hydrogen 3.288 N/A MET 117.A N SER 113.A O no hydrogen 3.082 N/A ASP 118.A N GLU 114.A O no hydrogen 2.966 N/A GLN 119.A N ALA 115.A O no hydrogen 2.993 N/A LEU 120.A N LEU 116.A O no hydrogen 2.909 N/A ARG 121.A N MET 117.A O no hydrogen 2.916 N/A SER 122.A N ASP 118.A O no hydrogen 2.901 N/A LYS 123.A N GLN 119.A O no hydrogen 2.981 N/A LYS 123.A NZ ASP 80.A OD2 no hydrogen 2.797 N/A LYS 123.A NZ GLU 82.A OE1 no hydrogen 2.989 N/A ILE 124.A N LEU 120.A O no hydrogen 2.880 N/A ALA 125.A N ARG 121.A O no hydrogen 2.997 N/A ARG 126.A N SER 122.A O no hydrogen 2.912 N/A ARG 126.A NE SER 122.A OG no hydrogen 3.055 N/A ARG 126.A NH1 GLU 82.A OE1 no hydrogen 2.942 N/A ARG 126.A NH1 GLU 82.A OE2 no hydrogen 3.464 N/A ARG 126.A NH2 GLU 82.A OE2 no hydrogen 2.947 N/A ARG 126.A NH2 SER 122.A OG no hydrogen 3.277 N/A CYS 127.A N LYS 123.A O no hydrogen 2.964 N/A CYS 127.A SG LYS 123.A O no hydrogen 3.423 N/A