Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pji_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 LEU 175.A O no hydrogen 3.198 N/A ARG 1.A NH1 ARG 177.A O no hydrogen 3.085 N/A ARG 1.A NH2 ARG 177.A O no hydrogen 3.357 N/A HIS 3.A N LEU 99.A O no hydrogen 2.992 N/A HIS 3.A ND1 ASP 28.A OD2 no hydrogen 2.914 N/A SER 4.A N ASP 28.A OD1 no hydrogen 2.915 N/A LEU 5.A N CYS 97.A O no hydrogen 3.037 N/A ARG 6.A N TYR 26.A O no hydrogen 2.878 N/A ARG 6.A NH2 GLU 98.A OE2 no hydrogen 3.173 N/A TYR 7.A N ILE 95.A O no hydrogen 2.813 N/A PHE 8.A N VAL 24.A O no hydrogen 2.869 N/A ARG 9.A N ARG 93.A O no hydrogen 3.014 N/A LEU 10.A N ILE 22.A O no hydrogen 2.849 N/A GLY 11.A N TYR 91.A O no hydrogen 2.811 N/A VAL 12.A N GLU 20.A O no hydrogen 2.957 N/A SER 13.A N HIS 89.A O no hydrogen 2.963 N/A SER 13.A OG GLN 80.A OE1 no hydrogen 2.708 N/A SER 13.A OG GLY 87.A O no hydrogen 3.216 N/A SER 13.A OG HIS 89.A O no hydrogen 3.245 N/A VAL 18.A N ILE 16.A O no hydrogen 3.323 N/A PHE 21.A N SER 37.A OG no hydrogen 3.114 N/A ILE 22.A N LEU 10.A O no hydrogen 2.886 N/A SER 23.A N TYR 35.A O no hydrogen 2.775 N/A SER 23.A OG PHE 8.A O no hydrogen 3.237 N/A VAL 24.A N PHE 8.A O no hydrogen 3.018 N/A GLY 25.A N THR 33.A O no hydrogen 3.027 N/A TYR 26.A N ARG 6.A O no hydrogen 2.752 N/A VAL 27.A N HIS 30.A O no hydrogen 2.930 N/A ASP 28.A N SER 4.A O no hydrogen 2.925 N/A HIS 30.A N VAL 27.A O no hydrogen 2.914 N/A HIS 30.A NE2 TYR 205.A OH no hydrogen 2.840 N/A ILE 32.A N GLY 25.A O no hydrogen 2.776 N/A THR 34.A N GLU 43.A O no hydrogen 2.910 N/A TYR 35.A N SER 23.A O no hydrogen 2.886 N/A TYR 35.A OH GLN 69.A OE1 no hydrogen 2.584 N/A SER 37.A N PHE 21.A O no hydrogen 2.907 N/A SER 37.A OG PHE 21.A O no hydrogen 3.425 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 2.743 N/A THR 39.A N ASP 36.A OD1 no hydrogen 2.818 N/A THR 39.A OG1 ASP 36.A O no hydrogen 3.549 N/A THR 39.A OG1 GLN 41.A O no hydrogen 3.394 N/A ARG 40.A N ASP 36.A O no hydrogen 3.026 N/A GLN 41.A N THR 39.A OG1 no hydrogen 3.384 N/A LYS 42.A N THR 62.A OG1 no hydrogen 2.974 N/A GLU 43.A N THR 34.A O no hydrogen 2.809 N/A ARG 45.A N ILE 32.A O no hydrogen 2.701 N/A MET 49.A N ALA 46.A O no hydrogen 3.008 N/A ALA 50.A N ALA 46.A O no hydrogen 3.203 N/A GLU 51.A N PRO 47.A O no hydrogen 2.951 N/A ASN 52.A ND2 TRP 48.A O no hydrogen 2.633 N/A LEU 53.A N MET 49.A O no hydrogen 3.256 N/A HIS 57.A N ALA 54.A O no hydrogen 3.021 N/A TRP 58.A NE1 LEU 53.A O no hydrogen 3.262 N/A GLU 59.A N PRO 55.A O no hydrogen 2.996 N/A ARG 60.A N ASP 56.A O no hydrogen 3.057 N/A TYR 61.A N HIS 57.A O no hydrogen 3.110 N/A THR 62.A N TRP 58.A O no hydrogen 2.966 N/A THR 62.A OG1 TRP 58.A O no hydrogen 2.647 N/A GLN 63.A N GLU 59.A O no hydrogen 3.434 N/A LEU 64.A N ARG 60.A O no hydrogen 3.126 N/A LEU 65.A N TYR 61.A O no hydrogen 2.774 N/A ARG 66.A N THR 62.A O no hydrogen 2.959 N/A ARG 66.A NE ARG 40.A O no hydrogen 2.803 N/A ARG 66.A NH2 ARG 40.A O no hydrogen 2.973 N/A GLY 67.A N GLN 63.A O no hydrogen 3.142 N/A TRP 68.A N LEU 64.A O no hydrogen 2.826 N/A GLN 69.A N LEU 65.A O no hydrogen 2.917 N/A GLN 70.A N ARG 66.A O no hydrogen 3.400 N/A MET 71.A N GLY 67.A O no hydrogen 3.254 N/A PHE 72.A N TRP 68.A O no hydrogen 2.964 N/A LYS 73.A N GLN 69.A O no hydrogen 3.173 N/A LYS 73.A NZ GLU 20.A OE2 no hydrogen 2.619 N/A VAL 74.A N GLN 70.A O no hydrogen 3.221 N/A GLU 75.A N MET 71.A O no hydrogen 3.025 N/A LEU 76.A N PHE 72.A O no hydrogen 3.043 N/A LYS 77.A N LYS 73.A O no hydrogen 3.130 N/A ARG 78.A N VAL 74.A O no hydrogen 3.102 N/A LEU 79.A N GLU 75.A O no hydrogen 2.937 N/A GLN 80.A N LEU 76.A O no hydrogen 3.011 N/A GLN 80.A NE2 HIS 85.A O no hydrogen 2.943 N/A GLN 80.A NE2 GLY 87.A O no hydrogen 3.270 N/A ARG 81.A N LYS 77.A O no hydrogen 3.104 N/A HIS 82.A N ARG 78.A O no hydrogen 2.954 N/A TYR 83.A N LEU 79.A O no hydrogen 3.139 N/A TYR 83.A OH ASP 132.A OD2 no hydrogen 2.624 N/A ASN 84.A N ARG 81.A O no hydrogen 3.380 N/A HIS 85.A N GLN 80.A O no hydrogen 2.919 N/A HIS 85.A ND1 TYR 113.A OH no hydrogen 2.778 N/A SER 88.A OG SER 13.A O no hydrogen 2.745 N/A HIS 89.A N SER 13.A OG no hydrogen 2.737 N/A HIS 89.A ND1 ASP 114.A OD1 no hydrogen 3.132 N/A HIS 89.A ND1 ASP 114.A OD2 no hydrogen 2.916 N/A HIS 89.A NE2 SER 86.A O no hydrogen 2.827 N/A THR 90.A N ASP 114.A OD1 no hydrogen 3.279 N/A TYR 91.A N GLY 11.A O no hydrogen 2.917 N/A TYR 91.A OH GLU 75.A OE1 no hydrogen 2.815 N/A GLN 92.A N ALA 112.A O no hydrogen 2.825 N/A ARG 93.A N ARG 9.A O no hydrogen 2.999 N/A ARG 93.A NE TYR 111.A OH no hydrogen 2.925 N/A MET 94.A N GLN 110.A O no hydrogen 2.845 N/A ILE 95.A N TYR 7.A O no hydrogen 2.989 N/A GLY 96.A N PHE 108.A O no hydrogen 3.026 N/A CYS 97.A N LEU 5.A O no hydrogen 2.992 N/A GLU 98.A N THR 106.A O no hydrogen 2.847 N/A LEU 99.A N HIS 3.A O no hydrogen 2.887 N/A LEU 100.A N SER 104.A O no hydrogen 2.936 N/A GLY 103.A N LEU 100.A O no hydrogen 2.938 N/A SER 104.A OG ASP 102.A OD2 no hydrogen 2.641 N/A THR 106.A N GLU 98.A O no hydrogen 3.072 N/A PHE 108.A N GLY 96.A O no hydrogen 2.863 N/A GLN 110.A N MET 94.A O no hydrogen 2.982 N/A TYR 111.A N LEU 119.A O no hydrogen 2.949 N/A ALA 112.A N GLN 92.A O no hydrogen 2.939 N/A TYR 113.A N GLN 116.A O no hydrogen 3.045 N/A TYR 113.A OH HIS 85.A ND1 no hydrogen 2.778 N/A ASP 114.A N THR 90.A O no hydrogen 2.982 N/A GLN 116.A N TYR 113.A O no hydrogen 2.996 N/A PHE 118.A N TYR 111.A O no hydrogen 2.856 N/A LEU 119.A N TYR 111.A O no hydrogen 3.304 N/A ILE 120.A N LEU 129.A O no hydrogen 3.015 N/A PHE 121.A N LEU 109.A O no hydrogen 2.875 N/A ASN 122.A N SER 127.A O no hydrogen 2.772 N/A LYS 123.A NZ GLU 157.A OE2 no hydrogen 3.067 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 3.114 N/A THR 125.A N ASN 122.A OD1 no hydrogen 3.227 N/A THR 125.A OG1 SER 127.A OG no hydrogen 2.885 N/A SER 127.A N ASN 122.A O no hydrogen 3.114 N/A SER 127.A OG THR 125.A OG1 no hydrogen 2.885 N/A TRP 128.A N GLU 143.A OE2 no hydrogen 2.853 N/A LEU 129.A N ILE 120.A O no hydrogen 2.811 N/A VAL 131.A N PHE 118.A O no hydrogen 3.400 N/A VAL 134.A N ASP 132.A OD1 no hydrogen 3.164 N/A ALA 135.A N ASP 132.A OD1 no hydrogen 2.970 N/A HIS 136.A N ASP 132.A O no hydrogen 2.987 N/A THR 137.A N ASN 133.A O no hydrogen 3.255 N/A THR 137.A OG1 ASN 133.A O no hydrogen 2.993 N/A ILE 138.A N VAL 134.A O no hydrogen 3.235 N/A LYS 139.A N ALA 135.A O no hydrogen 2.936 N/A LYS 139.A NZ TRP 128.A O no hydrogen 2.711 N/A LYS 139.A NZ GLU 143.A OE2 no hydrogen 2.883 N/A GLN 140.A N HIS 136.A O no hydrogen 3.115 N/A ALA 141.A N THR 137.A O no hydrogen 3.353 N/A TRP 142.A N ILE 138.A O no hydrogen 2.834 N/A GLU 143.A N LYS 139.A O no hydrogen 2.783 N/A LEU 149.A N ASN 145.A O no hydrogen 3.425 N/A LEU 150.A N GLN 146.A O no hydrogen 3.150 N/A TYR 151.A N HIS 147.A O no hydrogen 2.957 N/A GLN 152.A N GLU 148.A O no hydrogen 3.031 N/A LYS 153.A N LEU 149.A O no hydrogen 3.063 N/A LYS 153.A NZ LYS 123.A O no hydrogen 2.826 N/A LYS 153.A NZ GLU 157.A OE2 no hydrogen 2.713 N/A ASN 154.A N LEU 150.A O no hydrogen 3.065 N/A TRP 155.A N TYR 151.A O no hydrogen 2.959 N/A LEU 156.A N GLN 152.A O no hydrogen 2.996 N/A GLU 157.A N LYS 153.A O no hydrogen 2.921 N/A GLU 158.A N ASN 154.A O no hydrogen 2.903 N/A CYS 160.A N TRP 155.A O no hydrogen 2.788 N/A ALA 162.A N GLU 158.A O no hydrogen 3.160 N/A TRP 163.A N GLU 159.A O no hydrogen 2.969 N/A LEU 164.A N CYS 160.A O no hydrogen 2.843 N/A LYS 165.A N ILE 161.A O no hydrogen 2.951 N/A ARG 166.A N ALA 162.A O no hydrogen 3.092 N/A ARG 166.A NE TYR 170.A OH no hydrogen 2.793 N/A PHE 167.A N TRP 163.A O no hydrogen 2.903 N/A LEU 168.A N LEU 164.A O no hydrogen 2.788 N/A GLU 169.A N LYS 165.A O no hydrogen 3.194 N/A TYR 170.A N ARG 166.A O no hydrogen 3.174 N/A GLY 171.A N PHE 167.A O no hydrogen 3.047 N/A LYS 172.A N GLU 169.A O no hydrogen 3.291 N/A LYS 172.A NZ GLU 169.A OE2 no hydrogen 2.954 N/A THR 174.A N GLY 171.A O no hydrogen 3.104 N/A LEU 175.A N GLY 171.A O no hydrogen 2.881 N/A GLN 176.A N LYS 172.A O no hydrogen 2.975 N/A GLN 176.A NE2 LEU 168.A O no hydrogen 3.281 N/A ARG 177.A NE GLU 179.A OE2 no hydrogen 2.958 N/A ARG 177.A NH1 THR 174.A O no hydrogen 2.681 N/A ARG 177.A NH2 GLU 179.A OE2 no hydrogen 3.116 N/A ARG 177.A NH2 GLY 235.A O no hydrogen 3.248 N/A GLU 179.A N TYR 205.A O no hydrogen 2.832 N/A LEU 182.A N HIS 202.A O no hydrogen 2.901 N/A ARG 184.A N LYS 200.A O no hydrogen 2.968 N/A ASN 186.A N PHE 198.A O no hydrogen 2.915 N/A LYS 188.A N ALA 196.A O no hydrogen 3.168 N/A THR 190.A N VAL 194.A O no hydrogen 2.779 N/A THR 190.A OG1 VAL 194.A O no hydrogen 2.862 N/A VAL 194.A N PHE 191.A O no hydrogen 2.802 N/A THR 195.A N LEU 245.A O no hydrogen 3.298 N/A ALA 196.A N LYS 188.A O no hydrogen 2.900 N/A LEU 197.A N ILE 243.A O no hydrogen 2.859 N/A PHE 198.A N ASN 186.A O no hydrogen 2.971 N/A CYS 199.A N ALA 241.A O no hydrogen 2.810 N/A LYS 200.A N ARG 184.A O no hydrogen 2.833 N/A ALA 201.A N ALA 239.A O no hydrogen 2.731 N/A HIS 202.A N LEU 182.A O no hydrogen 3.203 N/A PHE 204.A N TYR 237.A O no hydrogen 3.365 N/A TYR 205.A N GLU 179.A O no hydrogen 2.972 N/A TYR 205.A OH HIS 30.A NE2 no hydrogen 2.840 N/A TYR 210.A N GLU 252.A O no hydrogen 2.884 N/A THR 212.A N HIS 250.A O no hydrogen 2.962 N/A TRP 213.A NE1 ALA 241.A O no hydrogen 3.083 N/A MET 214.A N SER 248.A O no hydrogen 2.888 N/A LYS 215.A N GLU 218.A O no hydrogen 2.758 N/A ASN 216.A N LEU 246.A O no hydrogen 2.833 N/A GLU 218.A N LYS 215.A O no hydrogen 2.828 N/A ASP 225.A N SER 242.A O no hydrogen 2.798 N/A GLY 227.A N TRP 240.A O no hydrogen 2.789 N/A LEU 230.A N GLN 238.A O no hydrogen 2.797 N/A SER 232.A N THR 236.A O no hydrogen 2.787 N/A THR 236.A N ASP 234.A OD1 no hydrogen 2.925 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.534 N/A THR 236.A OG1 ASP 234.A OD2 no hydrogen 3.190 N/A TYR 237.A N PHE 204.A O no hydrogen 2.881 N/A GLN 238.A N LEU 230.A O no hydrogen 2.920 N/A GLN 238.A NE2 SER 232.A OG no hydrogen 3.023 N/A ALA 239.A N ALA 201.A O no hydrogen 2.799 N/A ALA 241.A N CYS 199.A O no hydrogen 2.967 N/A SER 242.A N ASP 225.A O no hydrogen 2.788 N/A ILE 243.A N LEU 197.A O no hydrogen 3.029 N/A LEU 245.A N THR 195.A O no hydrogen 3.103 N/A SER 248.A N MET 214.A O no hydrogen 2.939 N/A SER 248.A OG HIS 250.A NE2 no hydrogen 3.078 N/A CYS 249.A N LEU 260.A O no hydrogen 2.800 N/A CYS 249.A SG THR 212.A O no hydrogen 3.885 N/A HIS 250.A N THR 212.A O no hydrogen 2.758 N/A HIS 250.A NE2 SER 248.A OG no hydrogen 3.078 N/A VAL 251.A N MET 258.A O no hydrogen 2.821 N/A GLU 252.A N TYR 210.A O no hydrogen 2.852 N/A HIS 253.A N VAL 256.A O no hydrogen 3.116 N/A HIS 253.A NE2 PRO 206.A O no hydrogen 2.908 N/A GLY 255.A N GLU 252.A OE2 no hydrogen 3.191 N/A VAL 256.A N HIS 253.A O no hydrogen 3.040 N/A HIS 257.A NE2 HIS 250.A ND1 no hydrogen 3.248 N/A MET 258.A N VAL 251.A O no hydrogen 2.734 N/A LEU 260.A N CYS 249.A O no hydrogen 2.911 N/A VAL 262.A N TYR 247.A O no hydrogen 2.915 N/A