Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3szq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N ASP 5.A OD2 no hydrogen 3.163 N/A ARG 4.A N.A SER 2.A OG no hydrogen 3.295 N/A ARG 4.A N.B SER 2.A OG no hydrogen 3.279 N/A ASP 5.A N SER 2.A O no hydrogen 3.139 N/A ASN 6.A N PHE 3.A O no hydrogen 2.991 N/A LYS 8.A N ASP 5.A O no hydrogen 2.958 N/A TYR 10.A N LEU 7.A O no hydrogen 3.088 N/A ILE 11.A N LYS 8.A O no hydrogen 3.085 N/A GLU 12.A N LYS 8.A O no hydrogen 3.073 N/A SER 13.A N VAL 9.A O no hydrogen 2.871 N/A SER 13.A OG GLU 15.A OE2 no hydrogen 3.228 N/A SER 13.A OG SER 16.A OG no hydrogen 2.705 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.719 N/A SER 16.A N SER 13.A O no hydrogen 3.030 N/A SER 16.A OG SER 13.A OG no hydrogen 2.705 N/A TYR 17.A N PRO 14.A O no hydrogen 3.281 N/A VAL 20.A N TYR 17.A O no hydrogen 2.977 N/A ILE 21.A N LEU 29.A O no hydrogen 2.879 N/A TYR 22.A N LEU 29.A O no hydrogen 3.374 N/A TYR 22.A OH ASP 24.A OD2 no hydrogen 2.720 N/A ASP 24.A N VAL 27.A O no hydrogen 3.140 N/A ASP 26.A N ASP 24.A OD1 no hydrogen 2.856 N/A VAL 27.A N ASP 24.A OD1 no hydrogen 2.970 N/A VAL 28.A N MET 44.A O no hydrogen 2.882 N/A LEU 29.A N TYR 22.A O no hydrogen 2.889 N/A VAL 30.A N LEU 42.A O no hydrogen 2.957 N/A ARG 31.A N ASN 19.A O no hydrogen 2.960 N/A ARG 31.A NE GLU 84.A OE1 no hydrogen 3.320 N/A ARG 31.A NE GLU 84.A OE2 no hydrogen 2.982 N/A ARG 31.A NH1 ASN 19.A OD1 no hydrogen 2.844 N/A ARG 31.A NH2 GLU 84.A OE1 no hydrogen 2.993 N/A ASP 32.A N HIS 40.A O no hydrogen 2.891 N/A PHE 34.A N ASP 32.A OD1 no hydrogen 2.887 N/A LYS 36.A N HIS 40.A ND1 no hydrogen 2.837 N/A LYS 36.A NZ PHE 34.A O no hydrogen 2.853 N/A SER 37.A OG LYS 36.A O no hydrogen 3.236 N/A SER 37.A OG THR 121.A O no hydrogen 2.802 N/A LYS 38.A N ASP 123.A OD2 no hydrogen 2.814 N/A MET 39.A N THR 121.A OG1 no hydrogen 3.145 N/A HIS 40.A NE2 HIS 118.A ND1 no hydrogen 2.966 N/A LEU 41.A N ILE 119.A O no hydrogen 2.768 N/A LEU 42.A N VAL 30.A O no hydrogen 2.756 N/A LEU 43.A N LEU 117.A O no hydrogen 2.805 N/A MET 44.A N VAL 28.A O no hydrogen 2.845 N/A ARG 46.A N ASP 26.A O no hydrogen 2.758 N/A ARG 46.A NE ILE 11.A O no hydrogen 2.928 N/A ARG 46.A NH1 ASP 24.A O no hydrogen 2.790 N/A ARG 46.A NH2 ILE 11.A O no hydrogen 3.090 N/A ASP 47.A N THR 45.A OG1 no hydrogen 3.060 N/A HIS 49.A N.A ASP 47.A OD1 no hydrogen 2.774 N/A HIS 49.A N.B ASP 47.A OD1 no hydrogen 2.686 N/A LEU 50.A N.B ASP 47.A O no hydrogen 3.011 N/A THR 51.A N ASP 47.A O no hydrogen 2.923 N/A THR 51.A OG1 ASN 114.A OD1 no hydrogen 3.144 N/A HIS 52.A N HIS 49.A O.A no hydrogen 3.175 N/A VAL 53.A N LEU 50.A O.A no hydrogen 2.831 N/A VAL 53.A N LEU 50.A O.B no hydrogen 3.308 N/A LEU 56.A N HIS 54.A ND1 no hydrogen 3.046 N/A ILE 58.A N HIS 54.A O no hydrogen 2.980 N/A MET 59.A N PRO 55.A O no hydrogen 2.925 N/A MET 60.A N LEU 56.A O no hydrogen 2.989 N/A LYS 61.A N GLU 57.A O no hydrogen 2.767 N/A LYS 61.A NZ GLU 57.A OE1 no hydrogen 3.339 N/A LYS 61.A NZ GLU 57.A OE2 no hydrogen 3.018 N/A HIS 62.A N ILE 58.A O no hydrogen 2.808 N/A ARG 63.A NH1 MET 59.A O no hydrogen 2.774 N/A VAL 66.A N HIS 62.A O no hydrogen 3.223 N/A GLU 67.A N ARG 63.A O no hydrogen 2.803 N/A LYS 68.A N SER 64.A O no hydrogen 3.029 N/A LYS 68.A NZ ASP 26.A OD2 no hydrogen 3.540 N/A LEU 69.A N LEU 65.A O no hydrogen 2.911 N/A VAL 70.A N VAL 66.A O no hydrogen 3.155 N/A SER 71.A N GLU 67.A O no hydrogen 2.892 N/A SER 71.A OG.B GLU 67.A O no hydrogen 3.142 N/A TYR 72.A N LYS 68.A O no hydrogen 3.014 N/A TYR 72.A OH ASP 24.A OD2 no hydrogen 2.601 N/A VAL 73.A N LEU 69.A O no hydrogen 3.088 N/A GLN 74.A N VAL 70.A O no hydrogen 2.932 N/A GLY 75.A N TYR 72.A O no hydrogen 3.197 N/A LEU 77.A N TYR 72.A O no hydrogen 2.974 N/A SER 78.A N GLY 75.A O no hydrogen 2.920 N/A SER 78.A OG GLY 75.A O no hydrogen 2.772 N/A ILE 81.A N LEU 77.A O no hydrogen 2.775 N/A PHE 82.A N SER 78.A O no hydrogen 2.909 N/A ASP 83.A N GLY 79.A O no hydrogen 3.042 N/A GLU 84.A N LEU 80.A O no hydrogen 3.053 N/A ALA 85.A N ILE 81.A O no hydrogen 2.945 N/A ARG 86.A N PHE 82.A O no hydrogen 2.891 N/A ARG 86.A NH1 LEU 93.A O no hydrogen 2.918 N/A ARG 86.A NH1 ASN 95.A OD1 no hydrogen 2.940 N/A ARG 86.A NH2 ASN 95.A OD1 no hydrogen 3.064 N/A ASN 87.A N ASP 83.A O no hydrogen 2.847 N/A CYS 88.A N GLU 84.A O no hydrogen 2.965 N/A CYS 88.A N ALA 85.A O no hydrogen 3.081 N/A CYS 88.A SG LYS 38.A O no hydrogen 3.442 N/A CYS 88.A SG GLU 84.A O no hydrogen 3.261 N/A CYS 88.A SG GLU 84.A OE2 no hydrogen 3.731 N/A LEU 89.A N ALA 85.A O no hydrogen 2.786 N/A GLN 92.A N SER 90.A OG no hydrogen 3.181 N/A LEU 93.A N SER 90.A O no hydrogen 3.289 N/A ALA 97.A N THR 94.A OG1 no hydrogen 3.245 N/A LEU 98.A N THR 94.A O no hydrogen 2.928 N/A CYS 99.A N ASN 95.A O no hydrogen 2.751 N/A ASN 100.A N GLU 96.A O no hydrogen 3.277 N/A TYR 101.A N LEU 98.A O no hydrogen 2.868 N/A LYS 103.A N MET 120.A O no hydrogen 2.828 N/A LYS 103.A NZ HIS 124.A NE2 no hydrogen 2.771 N/A LYS 103.A NZ PHE 138.A O no hydrogen 2.846 N/A GLY 105.A N HIS 118.A O no hydrogen 2.957 N/A PHE 106.A N VAL 144.A O no hydrogen 2.923 N/A ALA 108.A N PHE 142.A O no hydrogen 2.841 N/A ASN 113.A N ARG 4.A O.A no hydrogen 2.807 N/A ASN 113.A N ARG 4.A O.B no hydrogen 2.842 N/A ASN 113.A ND2 ASP 5.A OD1 no hydrogen 3.409 N/A LEU 115.A N THR 51.A O no hydrogen 2.669 N/A HIS 116.A ND1 ASN 114.A O no hydrogen 2.745 N/A LEU 117.A N LEU 43.A O no hydrogen 2.827 N/A HIS 118.A N GLY 105.A O no hydrogen 2.864 N/A HIS 118.A ND1 HIS 40.A NE2 no hydrogen 2.966 N/A ILE 119.A N LEU 41.A O no hydrogen 3.003 N/A MET 120.A N LYS 103.A O no hydrogen 3.023 N/A THR 121.A N MET 39.A O no hydrogen 3.057 N/A THR 121.A OG1 MET 39.A O no hydrogen 3.511 N/A THR 121.A OG1 ASP 123.A OD1 no hydrogen 2.546 N/A LEU 122.A N TYR 101.A O no hydrogen 2.968 N/A HIS 124.A N SER 37.A OG no hydrogen 3.062 N/A HIS 124.A ND1 LYS 36.A O no hydrogen 3.057 N/A VAL 125.A N ASP 123.A OD2 no hydrogen 2.966 N/A SER 126.A OG PRO 35.A O no hydrogen 2.560 N/A SER 128.A N SER 126.A OG no hydrogen 3.215 N/A LEU 129.A N SER 126.A O no hydrogen 3.109 N/A LYS 130.A N HIS 134.A ND1 no hydrogen 3.048 N/A ASN 131.A N HIS 134.A ND1 no hydrogen 3.418 N/A HIS 134.A N ASN 131.A OD1 no hydrogen 3.003 N/A TYR 135.A N ASN 131.A O no hydrogen 3.407 N/A TYR 135.A OH LYS 168.A O no hydrogen 2.536 N/A ILE 136.A N SER 132.A O no hydrogen 2.836 N/A SER 137.A N ALA 133.A O no hydrogen 2.914 N/A SER 137.A OG HIS 107.A NE2 no hydrogen 3.238 N/A SER 137.A OG ALA 133.A O no hydrogen 3.247 N/A SER 137.A OG HIS 134.A O no hydrogen 2.697 N/A PHE 138.A N TYR 135.A O no hydrogen 3.253 N/A THR 139.A N ILE 136.A O no hydrogen 3.232 N/A THR 139.A OG1 TYR 135.A O no hydrogen 2.730 N/A SER 140.A OG ILE 136.A O no hydrogen 2.813 N/A PHE 142.A N SER 140.A OG no hydrogen 3.094 N/A PHE 143.A N SER 140.A O no hydrogen 2.971 N/A VAL 144.A N PHE 106.A O no hydrogen 2.715 N/A ILE 146.A N VAL 104.A O no hydrogen 2.937 N/A THR 148.A N LYS 145.A O no hydrogen 3.031 N/A THR 148.A OG1 LYS 145.A O no hydrogen 2.655 N/A THR 150.A OG1 MET 59.A O no hydrogen 3.514 N/A SER 151.A OG ASN 152.A OD1 no hydrogen 3.044 N/A ASN 152.A N PRO 149.A O no hydrogen 2.805 N/A LEU 153.A N THR 150.A O no hydrogen 3.316 N/A THR 155.A N THR 158.A OG1 no hydrogen 2.720 N/A THR 158.A OG1 THR 155.A O no hydrogen 2.751 N/A LEU 159.A N THR 155.A O no hydrogen 2.923 N/A THR 160.A OG1 ARG 156.A O no hydrogen 3.025 N/A THR 160.A OG1 GLY 157.A O no hydrogen 3.461 N/A SER 161.A OG SER 161.A O no hydrogen 2.567 N/A LEU 162.A N LEU 159.A O no hydrogen 3.143 N/A GLN 164.A N SER 161.A O no hydrogen 3.179 N/A GLU 165.A N LEU 162.A O no hydrogen 3.368 N/A LEU 167.A N GLY 177.A O no hydrogen 2.694 N/A LYS 168.A NZ GLY 173.A O no hydrogen 2.560 N/A CYS 169.A N GLU 174.A O no hydrogen 2.803 N/A CYS 169.A SG HIS 186.A NE2 no hydrogen 3.676 N/A CYS 169.A SG GLU 190.A OE2 no hydrogen 3.599 N/A ARG 171.A NH1 GLU 190.A OE1 no hydrogen 2.874 N/A ARG 171.A NH1 ASP 193.A OD2 no hydrogen 3.014 N/A CYS 172.A SG HIS 186.A NE2 no hydrogen 3.761 N/A GLY 173.A N CYS 169.A O no hydrogen 3.122 N/A PHE 176.A N LEU 167.A O no hydrogen 2.802 N/A ARG 178.A NH1 PHE 163.A O no hydrogen 2.811 N/A ARG 178.A NH1 GLU 165.A O no hydrogen 2.760 N/A ARG 178.A NH2 PHE 163.A O no hydrogen 3.352 N/A HIS 179.A N PHE 176.A O no hydrogen 2.852 N/A PHE 180.A N ARG 178.A O no hydrogen 2.896 N/A LYS 182.A N HIS 179.A O no hydrogen 2.913 N/A LEU 183.A N HIS 179.A O no hydrogen 3.168 N/A LYS 184.A N PHE 180.A O no hydrogen 2.948 N/A LYS 184.A NZ LEU 129.A O no hydrogen 3.083 N/A ALA 185.A N THR 181.A O no hydrogen 3.339 N/A HIS 186.A N LYS 182.A O no hydrogen 2.998 N/A LEU 187.A N LEU 183.A O no hydrogen 2.697 N/A GLN 188.A N LYS 184.A O no hydrogen 3.110 N/A GLU 189.A N ALA 185.A O no hydrogen 3.261 N/A GLU 190.A N HIS 186.A O no hydrogen 2.859 N/A TYR 191.A N LEU 187.A O no hydrogen 2.908 N/A ASP 192.A N GLN 188.A O no hydrogen 3.041 N/A ASP 193.A N GLU 189.A O no hydrogen 2.956 N/A TRP 194.A N GLU 190.A O no hydrogen 2.970 N/A LEU 195.A N TYR 191.A O no hydrogen 2.770 N/A ASP 196.A N ASP 192.A O no hydrogen 2.981 N/A LYS 197.A N ASP 193.A O no hydrogen 3.117 N/A SER 198.A N LEU 195.A O no hydrogen 3.098 N/A SER 198.A OG TRP 194.A O no hydrogen 2.876 N/A VAL 199.A N LEU 195.A O no hydrogen 2.928 N/A