Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6puk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ARG 179.A O no hydrogen 3.377 N/A ARG 2.A NH1 THR 180.A OG1 no hydrogen 2.817 N/A ARG 2.A NH1 SER 257.A OG no hydrogen 3.173 N/A ARG 2.A NH2 LEU 177.A O no hydrogen 3.176 N/A ARG 2.A NH2 ARG 179.A O no hydrogen 2.682 N/A HIS 4.A N LEU 101.A O no hydrogen 3.148 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.528 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.904 N/A LEU 6.A N CYS 99.A O no hydrogen 2.992 N/A ARG 7.A N TYR 28.A O no hydrogen 2.977 N/A TYR 8.A N ILE 97.A O no hydrogen 2.810 N/A PHE 9.A N VAL 26.A O no hydrogen 2.836 N/A ARG 10.A N ARG 95.A O no hydrogen 2.900 N/A LEU 11.A N ILE 24.A O no hydrogen 2.766 N/A GLY 12.A N TYR 93.A O no hydrogen 2.620 N/A VAL 13.A N GLU 22.A O no hydrogen 2.861 N/A SER 14.A N HIS 91.A O no hydrogen 2.998 N/A SER 14.A OG GLN 82.A OE1 no hydrogen 3.018 N/A SER 14.A OG GLY 89.A O no hydrogen 3.247 N/A VAL 20.A N ILE 17.A O no hydrogen 2.913 N/A PHE 23.A N SER 39.A OG no hydrogen 3.286 N/A ILE 24.A N LEU 11.A O no hydrogen 2.934 N/A SER 25.A N TYR 37.A O no hydrogen 2.755 N/A SER 25.A OG PHE 9.A O no hydrogen 3.003 N/A VAL 26.A N PHE 9.A O no hydrogen 3.126 N/A GLY 27.A N THR 35.A O no hydrogen 3.133 N/A TYR 28.A N ARG 7.A O no hydrogen 2.699 N/A VAL 29.A N HIS 32.A O no hydrogen 2.886 N/A ASP 30.A N SER 5.A O no hydrogen 2.991 N/A SER 31.A OG.B TYR 234.A OH no hydrogen 3.098 N/A HIS 32.A N VAL 29.A O no hydrogen 2.949 N/A HIS 32.A NE2 TYR 202.A OH no hydrogen 2.499 N/A ILE 34.A N GLY 27.A O no hydrogen 2.918 N/A THR 36.A N GLU 45.A O no hydrogen 2.909 N/A TYR 37.A N SER 25.A O no hydrogen 2.827 N/A TYR 37.A OH GLN 71.A OE1 no hydrogen 2.752 N/A SER 39.A N PHE 23.A O no hydrogen 2.951 N/A SER 39.A OG PHE 23.A O no hydrogen 3.562 N/A VAL 40.A N ASP 38.A OD2 no hydrogen 2.922 N/A THR 41.A N ASP 38.A OD2 no hydrogen 2.825 N/A THR 41.A OG1 GLN 43.A O no hydrogen 3.319 N/A ARG 42.A N ASP 38.A O no hydrogen 2.891 N/A GLN 43.A N THR 41.A OG1 no hydrogen 3.277 N/A LYS 44.A N THR 64.A OG1 no hydrogen 3.044 N/A LYS 44.A NZ HIS 59.A NE2 no hydrogen 3.080 N/A GLU 45.A N THR 36.A O no hydrogen 2.891 N/A ARG 47.A N ILE 34.A O no hydrogen 2.759 N/A ARG 47.A NH1 PRO 46.A O no hydrogen 3.253 N/A MET 51.A N ALA 48.A O no hydrogen 3.064 N/A ALA 52.A N ALA 48.A O no hydrogen 3.415 N/A GLU 53.A N PRO 49.A O no hydrogen 3.182 N/A ASN 54.A N MET 51.A O no hydrogen 3.380 N/A ASN 54.A ND2 TRP 50.A O no hydrogen 2.691 N/A LEU 55.A N MET 51.A O no hydrogen 3.221 N/A HIS 59.A N ALA 56.A O no hydrogen 2.935 N/A TRP 60.A NE1 LEU 55.A O no hydrogen 3.087 N/A GLU 61.A N PRO 57.A O no hydrogen 2.921 N/A ARG 62.A N ASP 58.A O no hydrogen 3.055 N/A TYR 63.A N HIS 59.A O no hydrogen 3.164 N/A THR 64.A N TRP 60.A O no hydrogen 3.019 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.586 N/A GLN 65.A N GLU 61.A O no hydrogen 3.313 N/A LEU 66.A N ARG 62.A O no hydrogen 3.144 N/A LEU 67.A N TYR 63.A O no hydrogen 2.801 N/A ARG 68.A N THR 64.A O no hydrogen 3.040 N/A ARG 68.A NE ARG 42.A O no hydrogen 3.022 N/A ARG 68.A NH2 ARG 42.A O no hydrogen 2.973 N/A GLY 69.A N GLN 65.A O no hydrogen 3.214 N/A TRP 70.A N LEU 66.A O no hydrogen 2.777 N/A GLN 71.A N LEU 67.A O no hydrogen 2.677 N/A GLN 72.A N ARG 68.A O no hydrogen 3.285 N/A MET 73.A N GLY 69.A O no hydrogen 3.044 N/A PHE 74.A N TRP 70.A O no hydrogen 2.978 N/A LYS 75.A N GLN 71.A O no hydrogen 3.146 N/A VAL 76.A N GLN 72.A O no hydrogen 3.045 N/A GLU 77.A N MET 73.A O no hydrogen 2.891 N/A LEU 78.A N PHE 74.A O no hydrogen 2.926 N/A LYS 79.A N LYS 75.A O no hydrogen 2.887 N/A ARG 80.A N VAL 76.A O no hydrogen 2.984 N/A LEU 81.A N GLU 77.A O no hydrogen 2.938 N/A GLN 82.A N LEU 78.A O no hydrogen 3.017 N/A GLN 82.A NE2 HIS 87.A O no hydrogen 3.093 N/A GLN 82.A NE2 GLY 89.A O no hydrogen 2.837 N/A ARG 83.A N LYS 79.A O no hydrogen 3.242 N/A HIS 84.A N ARG 80.A O no hydrogen 3.025 N/A TYR 85.A N LEU 81.A O no hydrogen 2.831 N/A TYR 85.A OH ASP 134.A OD1 no hydrogen 2.646 N/A TYR 85.A OH ASP 134.A OD2 no hydrogen 3.148 N/A ASN 86.A N ARG 83.A O no hydrogen 3.147 N/A HIS 87.A N GLN 82.A O no hydrogen 3.081 N/A HIS 87.A ND1 TYR 115.A OH no hydrogen 3.190 N/A SER 90.A OG ASP 15.A O no hydrogen 3.272 N/A HIS 91.A N SER 14.A OG no hydrogen 2.880 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.792 N/A HIS 91.A NE2 SER 88.A O no hydrogen 2.870 N/A THR 92.A N ASP 116.A OD1 no hydrogen 3.214 N/A TYR 93.A N GLY 12.A O no hydrogen 2.679 N/A TYR 93.A OH GLU 77.A OE1 no hydrogen 2.883 N/A GLN 94.A N ALA 114.A O no hydrogen 2.898 N/A ARG 95.A N ARG 10.A O no hydrogen 2.993 N/A ARG 95.A NE TYR 113.A OH no hydrogen 2.836 N/A MET 96.A N GLN 112.A O no hydrogen 2.972 N/A ILE 97.A N TYR 8.A O no hydrogen 3.058 N/A GLY 98.A N PHE 110.A O no hydrogen 3.025 N/A CYS 99.A N LEU 6.A O no hydrogen 2.919 N/A GLU 100.A N THR 108.A O no hydrogen 2.980 N/A LEU 101.A N HIS 4.A O no hydrogen 2.819 N/A LEU 102.A N SER 106.A O no hydrogen 2.836 N/A GLY 105.A N LEU 102.A O no hydrogen 3.075 N/A SER 106.A N ASP 104.A OD1 no hydrogen 3.036 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.611 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 3.383 N/A THR 108.A N GLU 100.A O no hydrogen 3.039 N/A THR 108.A OG1 GLU 100.A OE1 no hydrogen 2.990 N/A PHE 110.A N GLY 98.A O no hydrogen 2.956 N/A GLN 112.A N MET 96.A O no hydrogen 2.989 N/A TYR 113.A N LEU 121.A O no hydrogen 2.733 N/A ALA 114.A N GLN 94.A O no hydrogen 2.799 N/A TYR 115.A N GLN 118.A O no hydrogen 2.987 N/A TYR 115.A OH HIS 87.A ND1 no hydrogen 3.190 N/A ASP 116.A N THR 92.A O no hydrogen 2.955 N/A GLN 118.A N TYR 115.A O no hydrogen 3.248 N/A PHE 120.A N TYR 113.A O no hydrogen 2.864 N/A LEU 121.A N TYR 113.A O no hydrogen 3.394 N/A ILE 122.A N LEU 131.A O no hydrogen 3.113 N/A PHE 123.A N LEU 111.A O no hydrogen 2.872 N/A ASN 124.A N SER 129.A O no hydrogen 2.938 N/A LYS 125.A NZ GLU 159.A OE2 no hydrogen 2.826 N/A ASP 126.A N ASN 124.A OD1 no hydrogen 3.000 N/A THR 127.A N ASN 124.A OD1 no hydrogen 3.098 N/A THR 127.A OG1 SER 129.A OG no hydrogen 2.772 N/A SER 129.A N ASN 124.A O no hydrogen 3.248 N/A SER 129.A OG THR 127.A OG1 no hydrogen 2.772 N/A TRP 130.A N GLU 145.A OE2 no hydrogen 2.783 N/A LEU 131.A N ILE 122.A O no hydrogen 2.820 N/A VAL 133.A N PHE 120.A O no hydrogen 3.392 N/A ALA 137.A N ASP 134.A OD2 no hydrogen 2.963 N/A HIS 138.A N ASP 134.A O no hydrogen 2.943 N/A THR 139.A N ASN 135.A O no hydrogen 3.059 N/A THR 139.A OG1 ASN 135.A O no hydrogen 3.077 N/A ILE 140.A N VAL 136.A O no hydrogen 3.319 N/A LYS 141.A N ALA 137.A O no hydrogen 2.735 N/A LYS 141.A NZ TRP 130.A O no hydrogen 2.488 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 3.429 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 2.544 N/A GLN 142.A N HIS 138.A O no hydrogen 2.982 N/A ALA 143.A N THR 139.A O no hydrogen 3.323 N/A TRP 144.A N ILE 140.A O no hydrogen 2.922 N/A GLU 145.A N LYS 141.A O no hydrogen 2.924 N/A ALA 146.A N GLN 142.A O no hydrogen 3.218 N/A ASN 147.A N TRP 144.A O no hydrogen 3.194 N/A GLN 148.A NE2 GLU 145.A O no hydrogen 2.961 N/A GLU 150.A N ASN 147.A O no hydrogen 3.217 N/A LEU 152.A N GLN 148.A O no hydrogen 3.129 N/A TYR 153.A N HIS 149.A O no hydrogen 2.955 N/A GLN 154.A N GLU 150.A O no hydrogen 3.021 N/A LYS 155.A N LEU 151.A O no hydrogen 3.130 N/A LYS 155.A NZ LYS 125.A O no hydrogen 2.846 N/A LYS 155.A NZ GLU 159.A OE1 no hydrogen 3.491 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 2.592 N/A ASN 156.A N LEU 152.A O no hydrogen 3.091 N/A TRP 157.A N TYR 153.A O no hydrogen 2.942 N/A LEU 158.A N GLN 154.A O no hydrogen 2.934 N/A GLU 159.A N LYS 155.A O no hydrogen 3.018 N/A GLU 160.A N ASN 156.A O no hydrogen 2.821 N/A GLU 161.A N ASN 156.A O no hydrogen 3.359 N/A CYS 162.A N TRP 157.A O no hydrogen 2.624 N/A ALA 164.A N GLU 160.A O no hydrogen 3.104 N/A TRP 165.A N GLU 161.A O no hydrogen 2.911 N/A LEU 166.A N CYS 162.A O no hydrogen 2.938 N/A LYS 167.A N ILE 163.A O no hydrogen 2.993 N/A ARG 168.A N ALA 164.A O no hydrogen 3.013 N/A ARG 168.A NE TYR 172.A OH no hydrogen 2.704 N/A PHE 169.A N TRP 165.A O no hydrogen 2.822 N/A LEU 170.A N LEU 166.A O no hydrogen 2.710 N/A GLU 171.A N LYS 167.A O no hydrogen 3.186 N/A TYR 172.A N ARG 168.A O no hydrogen 3.236 N/A GLY 173.A N PHE 169.A O no hydrogen 3.221 N/A LYS 174.A N GLU 171.A O no hydrogen 3.469 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 2.722 N/A THR 176.A N GLY 173.A O no hydrogen 3.076 N/A LEU 177.A N GLY 173.A O no hydrogen 2.755 N/A GLN 178.A N LYS 174.A O no hydrogen 2.988 N/A ARG 179.A NE GLU 181.A OE2 no hydrogen 2.997 N/A ARG 179.A NH1 THR 176.A O no hydrogen 2.810 N/A ARG 179.A NH2 GLU 181.A OE2 no hydrogen 3.285 N/A ARG 179.A NH2 GLY 232.A O no hydrogen 3.261 N/A GLU 181.A N TYR 202.A O no hydrogen 2.811 N/A LEU 184.A N HIS 199.A O no hydrogen 2.963 N/A ARG 186.A N LYS 197.A O no hydrogen 2.946 N/A ASN 188.A N PHE 195.A O no hydrogen 2.898 N/A LYS 190.A N ALA 193.A O no hydrogen 3.075 N/A ALA 193.A N LYS 190.A O no hydrogen 2.800 N/A LEU 194.A N ILE 240.A O no hydrogen 2.970 N/A PHE 195.A N ASN 188.A O no hydrogen 2.857 N/A CYS 196.A N ALA 238.A O no hydrogen 3.059 N/A CYS 196.A SG.A ARG 186.A O no hydrogen 3.914 N/A CYS 196.A SG.B ALA 238.A O no hydrogen 3.644 N/A LYS 197.A N ARG 186.A O no hydrogen 2.881 N/A ALA 198.A N ALA 236.A O no hydrogen 2.831 N/A HIS 199.A N LEU 184.A O no hydrogen 3.108 N/A PHE 201.A N TYR 234.A O no hydrogen 3.385 N/A TYR 202.A N GLU 181.A O no hydrogen 3.017 N/A TYR 202.A OH HIS 32.A NE2 no hydrogen 2.499 N/A TYR 207.A N GLU 255.A O no hydrogen 3.066 N/A THR 209.A N HIS 253.A O no hydrogen 2.900 N/A THR 209.A OG1 TRP 210.A O no hydrogen 3.442 N/A THR 209.A OG1 GLU 216.A OE1 no hydrogen 2.668 N/A THR 209.A OG1 TYR 223.A OH no hydrogen 3.381 N/A TRP 210.A NE1 ALA 238.A O no hydrogen 2.767 N/A MET 211.A N SER 251.A O no hydrogen 3.023 N/A LYS 212.A N GLU 215.A O no hydrogen 3.003 N/A ASN 213.A N LEU 249.A O no hydrogen 2.860 N/A GLU 215.A N LYS 212.A O no hydrogen 3.211 N/A GLN 219.A N GLN 219.A OE1 no hydrogen 2.970 N/A GLU 220.A N ILE 217.A O no hydrogen 3.091 N/A ILE 221.A N VAL 218.A O no hydrogen 3.216 N/A ASP 222.A N SER 239.A O no hydrogen 2.877 N/A TYR 223.A OH THR 209.A OG1 no hydrogen 3.381 N/A GLY 224.A N TRP 237.A O no hydrogen 3.023 N/A LEU 227.A N GLN 235.A O no hydrogen 2.841 N/A SER 229.A N THR 233.A O no hydrogen 2.943 N/A SER 229.A OG GLN 235.A OE1 no hydrogen 3.214 N/A THR 233.A N ASP 231.A OD1 no hydrogen 3.164 N/A THR 233.A OG1 ASP 231.A OD1 no hydrogen 2.650 N/A THR 233.A OG1 ASP 231.A OD2 no hydrogen 3.481 N/A TYR 234.A N PHE 201.A O no hydrogen 2.978 N/A GLN 235.A N LEU 227.A O no hydrogen 2.940 N/A ALA 236.A N ALA 198.A O no hydrogen 2.900 N/A ALA 238.A N CYS 196.A O no hydrogen 3.075 N/A SER 239.A N ASP 222.A O no hydrogen 2.900 N/A ILE 240.A N LEU 194.A O no hydrogen 3.187 N/A LEU 242.A N THR 192.A O no hydrogen 3.043 N/A ASN 248.A ND2 ASN 213.A OD1 no hydrogen 2.920 N/A SER 251.A N MET 211.A O no hydrogen 3.071 N/A SER 251.A OG HIS 253.A NE2 no hydrogen 2.994 N/A CYS 252.A N LEU 263.A O no hydrogen 2.992 N/A HIS 253.A N THR 209.A O no hydrogen 2.737 N/A HIS 253.A ND1 HIS 260.A NE2.A no hydrogen 3.099 N/A HIS 253.A NE2 SER 251.A OG no hydrogen 2.994 N/A VAL 254.A N MET 261.A O no hydrogen 2.855 N/A GLU 255.A N TYR 207.A O no hydrogen 2.886 N/A HIS 256.A N VAL 259.A O no hydrogen 2.991 N/A HIS 256.A NE2 PRO 203.A O no hydrogen 2.929 N/A VAL 259.A N HIS 256.A O no hydrogen 3.190 N/A HIS 260.A NE2.A HIS 253.A ND1 no hydrogen 3.099 N/A MET 261.A N VAL 254.A O no hydrogen 2.702 N/A LEU 263.A N CYS 252.A O no hydrogen 2.889 N/A VAL 265.A N TYR 250.A O no hydrogen 2.944 N/A