Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ddp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N MET 2.A O no hydrogen 3.170 N/A GLN 6.A N ARG 23.A O no hydrogen 2.945 N/A GLN 6.A NE2 LYS 7.A O no hydrogen 2.813 N/A VAL 8.A N LYS 21.A O no hydrogen 2.862 N/A LYS 10.A NZ GLU 13.A OE2 no hydrogen 2.785 N/A ILE 11.A N VAL 19.A O no hydrogen 2.657 N/A GLY 12.A N VAL 19.A O no hydrogen 3.207 N/A THR 15.A N ASP 146.A OD2 no hydrogen 3.147 N/A THR 15.A OG1 ASP 146.A OD1 no hydrogen 3.291 N/A THR 15.A OG1 ASP 146.A OD2 no hydrogen 3.111 N/A TYR 16.A OH GLU 52.A OE1 no hydrogen 2.865 N/A VAL 18.A N LYS 35.A O no hydrogen 2.770 N/A VAL 19.A N GLY 12.A O no hydrogen 2.861 N/A TYR 20.A N LEU 33.A O no hydrogen 3.034 N/A LYS 21.A N GLU 9.A O no hydrogen 2.812 N/A ALA 22.A N VAL 31.A O no hydrogen 2.790 N/A ARG 23.A N GLN 6.A O no hydrogen 2.857 N/A ASN 24.A N GLU 29.A O no hydrogen 2.789 N/A LYS 25.A N ASN 4.A O no hydrogen 2.738 N/A LEU 26.A N ASN 24.A OD1 no hydrogen 2.881 N/A THR 27.A N ASN 24.A OD1 no hydrogen 3.127 N/A GLY 28.A N ASN 24.A O no hydrogen 2.791 N/A VAL 31.A N ALA 22.A O no hydrogen 2.676 N/A ALA 32.A N PHE 81.A O no hydrogen 2.910 N/A LEU 33.A N TYR 20.A O no hydrogen 2.736 N/A LYS 34.A N LEU 79.A O no hydrogen 2.825 N/A LYS 34.A NZ GLU 52.A OE1 no hydrogen 3.081 N/A LYS 34.A NZ GLU 52.A OE2 no hydrogen 3.459 N/A LYS 35.A N VAL 18.A O no hydrogen 2.773 N/A ILE 36.A N LEU 77.A O no hydrogen 2.740 N/A THR 42.A OG1 THR 40.A O no hydrogen 2.880 N/A ILE 50.A N PRO 46.A O no hydrogen 3.046 N/A ARG 51.A N SER 47.A O no hydrogen 2.921 N/A GLU 52.A N THR 48.A O no hydrogen 2.931 N/A ILE 53.A N ALA 49.A O no hydrogen 2.748 N/A SER 54.A N ILE 50.A O no hydrogen 3.021 N/A SER 54.A OG ILE 50.A O no hydrogen 2.575 N/A SER 54.A OG ARG 51.A O no hydrogen 3.512 N/A LEU 55.A N ARG 51.A O no hydrogen 3.008 N/A LEU 56.A N GLU 52.A O no hydrogen 2.857 N/A LYS 57.A N ILE 53.A O no hydrogen 3.207 N/A LEU 59.A N LEU 55.A O no hydrogen 3.300 N/A ASN 60.A N GLU 58.A O no hydrogen 3.107 N/A ASN 60.A ND2.B LYS 57.A O no hydrogen 3.288 N/A ASN 63.A ND2 GLN 111.A OE1 no hydrogen 3.168 N/A ASN 63.A ND2 ILE 142.A O no hydrogen 2.790 N/A ILE 64.A N HIS 61.A O no hydrogen 3.076 N/A VAL 65.A N LEU 144.A O no hydrogen 3.249 N/A LYS 66.A N GLU 82.A OE2 no hydrogen 2.656 N/A LEU 68.A N VAL 80.A O no hydrogen 2.717 N/A ASP 69.A N VAL 80.A O no hydrogen 3.319 N/A VAL 70.A N ASP 69.A OD1 no hydrogen 2.862 N/A ILE 71.A N TYR 78.A O no hydrogen 3.124 N/A THR 73.A N LYS 76.A O no hydrogen 2.895 N/A THR 73.A OG1 LYS 76.A O no hydrogen 3.563 N/A LEU 77.A N ILE 36.A O no hydrogen 3.257 N/A TYR 78.A N ILE 71.A O no hydrogen 3.140 N/A LEU 79.A N LYS 34.A O no hydrogen 2.633 N/A VAL 80.A N ASP 69.A O no hydrogen 2.887 N/A PHE 81.A N ALA 32.A O no hydrogen 2.726 N/A GLU 82.A N LYS 66.A O no hydrogen 3.167 N/A GLN 86.A N ILE 136.A O no hydrogen 3.187 N/A LEU 88.A N LEU 134.A O no hydrogen 2.932 N/A LYS 89.A N PRO 131.A O no hydrogen 3.450 N/A LYS 90.A N ASP 87.A OD1 no hydrogen 3.265 N/A PHE 91.A N ASP 87.A O no hydrogen 3.049 N/A MET 92.A N LEU 88.A O no hydrogen 2.708 N/A ASP 93.A N LYS 89.A O no hydrogen 3.302 N/A ASP 93.A N LYS 90.A O no hydrogen 3.242 N/A ALA 94.A N LYS 90.A O no hydrogen 3.283 N/A ALA 94.A N PHE 91.A O no hydrogen 3.159 N/A SER 95.A N PHE 91.A O no hydrogen 3.151 N/A SER 95.A OG PHE 91.A O no hydrogen 2.891 N/A ILE 105.A N PRO 101.A O no hydrogen 3.053 N/A LYS 106.A N LEU 102.A O no hydrogen 2.811 N/A LYS 106.A NZ ASP 288.A OD1 no hydrogen 2.980 N/A SER 107.A N PRO 103.A O no hydrogen 2.688 N/A TYR 108.A N LEU 104.A O no hydrogen 2.952 N/A LEU 109.A N ILE 105.A O no hydrogen 2.871 N/A PHE 110.A N LYS 106.A O no hydrogen 3.013 N/A GLN 111.A N SER 107.A O no hydrogen 3.141 N/A GLN 111.A NE2 SER 107.A O no hydrogen 3.174 N/A GLN 111.A NE2 SER 107.A OG no hydrogen 2.724 N/A GLN 111.A NE2 GLY 140.A O no hydrogen 2.897 N/A LEU 112.A N TYR 108.A O no hydrogen 3.022 N/A LEU 113.A N LEU 109.A O no hydrogen 2.993 N/A GLN 114.A N PHE 110.A O no hydrogen 2.993 N/A GLY 115.A N GLN 111.A O no hydrogen 3.017 N/A LEU 116.A N LEU 112.A O no hydrogen 2.916 N/A ALA 117.A N LEU 113.A O no hydrogen 2.870 N/A PHE 118.A N GLN 114.A O no hydrogen 3.230 N/A CYS 119.A N GLY 115.A O no hydrogen 3.055 N/A CYS 119.A SG GLY 115.A O no hydrogen 3.401 N/A HIS 120.A N LEU 116.A O no hydrogen 2.913 N/A SER 121.A N ALA 117.A O no hydrogen 2.780 N/A SER 121.A OG ALA 117.A O no hydrogen 2.614 N/A HIS 122.A N CYS 119.A O no hydrogen 2.791 N/A HIS 122.A ND1 PHE 118.A O no hydrogen 2.569 N/A ARG 123.A N HIS 120.A O no hydrogen 2.993 N/A ARG 123.A NH1 GLU 58.A OE1 no hydrogen 3.167 N/A ARG 123.A NH1 HIS 122.A O no hydrogen 2.712 N/A ARG 123.A NH2 GLU 58.A OE1 no hydrogen 2.998 N/A ARG 123.A NH2 GLU 58.A OE2 no hydrogen 3.448 N/A VAL 124.A N CYS 119.A O no hydrogen 3.218 N/A LEU 125.A N ARG 151.A O no hydrogen 3.023 N/A HIS 126.A N ASP 185.A OD2 no hydrogen 2.805 N/A HIS 126.A NE2 ALA 145.A O no hydrogen 2.641 N/A ARG 127.A N ASP 185.A OD1 no hydrogen 2.859 N/A ARG 127.A NE LEU 149.A O no hydrogen 2.855 N/A ARG 127.A NH1 TYR 180.A OH no hydrogen 2.784 N/A ARG 127.A NH2 LEU 149.A O no hydrogen 2.769 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.060 N/A GLN 132.A N GLN 132.A OE1 no hydrogen 2.607 N/A ASN 133.A N LYS 130.A O no hydrogen 2.743 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.970 N/A LEU 134.A N PRO 131.A O no hydrogen 3.217 N/A LEU 135.A N LYS 143.A O no hydrogen 2.955 N/A ILE 136.A N GLN 86.A O no hydrogen 2.762 N/A ASN 137.A N ALA 141.A O no hydrogen 3.083 N/A THR 138.A OG1 GLU 139.A OE1 no hydrogen 2.720 N/A GLY 140.A N ASN 137.A O no hydrogen 3.431 N/A ALA 141.A N ASN 137.A OD1 no hydrogen 2.804 N/A ILE 142.A N GLN 111.A OE1 no hydrogen 3.160 N/A LYS 143.A N LEU 135.A O no hydrogen 2.975 N/A LYS 143.A NZ GLU 82.A OE1 no hydrogen 3.068 N/A LYS 143.A NZ GLU 82.A OE2 no hydrogen 3.008 N/A LEU 144.A N ASN 63.A O no hydrogen 3.034 N/A ALA 145.A N ASN 133.A O no hydrogen 2.894 N/A PHE 147.A N GLU 52.A OE2 no hydrogen 2.744 N/A GLY 148.A N ASP 146.A OD1 no hydrogen 3.213 N/A ALA 150.A N PHE 147.A O no hydrogen 3.290 N/A ARG 151.A N LEU 125.A O no hydrogen 3.175 N/A PHE 153.A N ARG 123.A O no hydrogen 2.820 N/A GLY 154.A N TYR 160.A OH no hydrogen 3.004 N/A THR 159.A OG1 LYS 178.A O no hydrogen 3.005 N/A HIS 161.A NE2 ILE 173.A O no hydrogen 2.802 N/A THR 165.A OG1 ASP 128.A OD1 no hydrogen 3.108 N/A TRP 167.A NE1 GLY 205.A O no hydrogen 2.898 N/A TYR 168.A N THR 165.A O no hydrogen 2.877 N/A TYR 168.A OH GLU 195.A OE1 no hydrogen 2.764 N/A TYR 168.A OH GLU 195.A OE2 no hydrogen 3.154 N/A ARG 169.A N LEU 166.A O no hydrogen 2.882 N/A ARG 169.A NE VAL 164.A O no hydrogen 2.967 N/A ARG 169.A NH2 VAL 164.A O no hydrogen 2.711 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 3.158 N/A ILE 173.A N ALA 170.A O no hydrogen 2.854 N/A LEU 174.A N ALA 170.A O no hydrogen 3.067 N/A LEU 175.A N PRO 171.A O no hydrogen 2.763 N/A GLY 176.A N ILE 173.A O no hydrogen 3.213 N/A CYS 177.A N GLU 172.A O no hydrogen 3.199 N/A CYS 177.A SG TYR 179.A O no hydrogen 3.607 N/A LYS 178.A NZ TYR 179.A OH no hydrogen 3.481 N/A VAL 184.A N SER 181.A O no hydrogen 3.143 N/A ASP 185.A N THR 182.A O no hydrogen 2.751 N/A ILE 186.A N ALA 183.A O no hydrogen 3.220 N/A TRP 187.A N ALA 183.A O no hydrogen 3.274 N/A SER 188.A N VAL 184.A O no hydrogen 3.434 N/A SER 188.A OG TYR 168.A O no hydrogen 2.858 N/A SER 188.A OG VAL 184.A O no hydrogen 3.368 N/A LEU 189.A N ASP 185.A O no hydrogen 3.184 N/A GLY 190.A N ILE 186.A O no hydrogen 2.770 N/A CYS 191.A N TRP 187.A O no hydrogen 2.815 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.505 N/A ILE 192.A N SER 188.A O no hydrogen 3.001 N/A PHE 193.A N LEU 189.A O no hydrogen 2.781 N/A ALA 194.A N GLY 190.A O no hydrogen 3.129 N/A GLU 195.A N CYS 191.A O no hydrogen 2.977 N/A MET 196.A N ILE 192.A O no hydrogen 2.815 N/A VAL 197.A N PHE 193.A O no hydrogen 3.377 N/A VAL 197.A N ALA 194.A O no hydrogen 3.074 N/A THR 198.A N ALA 194.A O no hydrogen 3.129 N/A THR 198.A OG1 ALA 194.A O no hydrogen 3.074 N/A THR 198.A OG1 ARG 200.A O no hydrogen 3.281 N/A ARG 199.A N GLU 195.A O no hydrogen 2.687 N/A ARG 200.A N THR 198.A OG1 no hydrogen 3.358 N/A GLY 205.A N PHE 203.A O no hydrogen 2.900 N/A GLY 205.A N GLN 211.A OE1 no hydrogen 3.019 N/A ASP 206.A N ASP 210.A OD2 no hydrogen 2.839 N/A ASP 210.A N SER 207.A OG no hydrogen 3.403 N/A GLN 211.A N SER 207.A O no hydrogen 2.753 N/A GLN 211.A NE2 PHE 203.A O no hydrogen 2.650 N/A LEU 212.A N GLU 208.A O no hydrogen 2.978 N/A PHE 213.A N ILE 209.A O no hydrogen 3.050 N/A ARG 214.A N ASP 210.A O no hydrogen 2.944 N/A ARG 214.A NE ASP 210.A OD2 no hydrogen 3.306 N/A ARG 214.A NH2 ASP 206.A OD2 no hydrogen 3.473 N/A ILE 215.A N GLN 211.A O no hydrogen 2.849 N/A PHE 216.A N LEU 212.A O no hydrogen 2.906 N/A ARG 217.A N PHE 213.A O no hydrogen 2.781 N/A THR 218.A N ILE 215.A O no hydrogen 2.927 N/A THR 218.A OG1 ARG 214.A O no hydrogen 3.369 N/A LEU 219.A N ILE 215.A O no hydrogen 2.869 N/A GLY 220.A N PHE 216.A O no hydrogen 2.644 N/A THR 221.A N TRP 243.A O no hydrogen 3.001 N/A THR 221.A OG1 PRO 241.A O no hydrogen 2.645 N/A VAL 226.A N ASP 223.A OD1 no hydrogen 3.023 N/A TRP 227.A N ASP 223.A O no hydrogen 2.749 N/A GLY 229.A N GLU 224.A OE1 no hydrogen 2.835 N/A VAL 230.A N TRP 227.A O no hydrogen 3.422 N/A THR 231.A N GLU 224.A OE2 no hydrogen 3.232 N/A THR 231.A OG1 GLU 224.A OE2 no hydrogen 2.285 N/A SER 232.A N GLY 229.A O no hydrogen 3.101 N/A MET 233.A N VAL 230.A O no hydrogen 2.982 N/A ASP 235.A N LEU 175.A O no hydrogen 3.145 N/A PHE 240.A N LYS 237.A O no hydrogen 3.057 N/A LYS 242.A NZ PRO 238.A O no hydrogen 3.438 N/A LYS 242.A NZ PHE 240.A O no hydrogen 3.242 N/A TRP 243.A N THR 221.A OG1 no hydrogen 2.762 N/A ARG 245.A NH1 LEU 219.A O no hydrogen 3.019 N/A GLN 246.A N THR 218.A O no hydrogen 3.293 N/A LYS 250.A N ASP 247.A O no hydrogen 2.739 N/A VAL 251.A N ASP 247.A O no hydrogen 3.283 N/A VAL 251.A N PHE 248.A O no hydrogen 3.226 N/A VAL 252.A N PHE 248.A O no hydrogen 3.096 N/A LEU 255.A N VAL 252.A O no hydrogen 3.069 N/A GLY 259.A N ASP 256.A OD2 no hydrogen 3.237 N/A ARG 260.A N ASP 256.A O no hydrogen 3.094 N/A ARG 260.A NH1 LEU 255.A O no hydrogen 2.983 N/A SER 261.A N GLU 257.A O no hydrogen 3.107 N/A SER 261.A OG GLN 265.A OE1 no hydrogen 3.434 N/A SER 261.A OG HIS 283.A NE2 no hydrogen 3.091 N/A LEU 262.A N ASP 258.A O no hydrogen 2.874 N/A LEU 263.A N GLY 259.A O no hydrogen 2.679 N/A SER 264.A N ARG 260.A O no hydrogen 2.837 N/A SER 264.A OG ARG 260.A O no hydrogen 3.250 N/A SER 264.A OG SER 261.A O no hydrogen 2.735 N/A GLN 265.A N SER 261.A O no hydrogen 3.078 N/A MET 266.A N LEU 262.A O no hydrogen 2.887 N/A LEU 267.A N LEU 263.A O no hydrogen 3.029 N/A TYR 269.A OH GLY 220.A O no hydrogen 2.879 N/A ASN 272.A N ASP 270.A OD1 no hydrogen 3.140 N/A LYS 273.A N ASP 270.A O no hydrogen 2.759 N/A LYS 273.A NZ ASN 272.A O no hydrogen 3.338 N/A ARG 274.A N ASP 270.A O no hydrogen 3.088 N/A ARG 274.A NE HIS 268.A O no hydrogen 2.914 N/A ARG 274.A NH1 GLU 172.A OE1 no hydrogen 3.205 N/A ARG 274.A NH1 GLU 172.A OE2 no hydrogen 3.292 N/A ARG 274.A NH1 ALA 183.A O no hydrogen 2.629 N/A ARG 274.A NH2 GLU 172.A OE2 no hydrogen 2.659 N/A ARG 274.A NH2 HIS 268.A O no hydrogen 3.173 N/A ARG 274.A NH2 TYR 269.A O no hydrogen 3.551 N/A ILE 275.A N GLN 265.A O no hydrogen 3.193 N/A ALA 279.A N SER 276.A OG no hydrogen 3.283 N/A ALA 280.A N SER 276.A O no hydrogen 2.946 N/A LEU 281.A N ALA 277.A O no hydrogen 3.269 N/A ALA 282.A N ALA 279.A O no hydrogen 2.830 N/A HIS 283.A N ALA 280.A O no hydrogen 3.142 N/A HIS 283.A NE2 SER 261.A OG no hydrogen 3.091 N/A PHE 285.A N HIS 283.A ND1 no hydrogen 3.029 N/A PHE 286.A N HIS 283.A O no hydrogen 2.957 N/A GLN 287.A N PRO 284.A O no hydrogen 2.865 N/A GLN 287.A NE2 PRO 284.A O no hydrogen 2.977 N/A VAL 289.A N PHE 286.A O no hydrogen 2.992 N/A HIS 295.A N HIS 295.A ND1 no hydrogen 2.683 N/A