Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2itt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 9.A NH1 TYR 299.A OH no hydrogen 3.427 N/A LEU 11.A N ILE 84.A O no hydrogen 2.708 N/A LYS 12.A NZ GLU 38.A OE1 no hydrogen 2.819 N/A LYS 12.A NZ GLU 38.A OE2 no hydrogen 2.337 N/A GLU 15.A N LYS 12.A O no hydrogen 2.907 N/A LYS 18.A NZ GLU 50.A OE1 no hydrogen 2.862 N/A LYS 18.A NZ GLN 91.A OE1 no hydrogen 2.881 N/A ILE 19.A N LYS 32.A O no hydrogen 3.048 N/A LEU 22.A N VAL 30.A O no hydrogen 2.783 N/A GLY 23.A N VAL 30.A O no hydrogen 3.274 N/A THR 29.A N GLU 50.A O no hydrogen 3.442 N/A VAL 30.A N GLY 23.A O no hydrogen 3.072 N/A TYR 31.A N ILE 48.A O no hydrogen 2.986 N/A LYS 32.A N LYS 20.A O no hydrogen 3.017 N/A GLY 33.A N VAL 46.A O no hydrogen 2.858 N/A LEU 34.A N LYS 17.A O no hydrogen 2.957 N/A TRP 35.A N ILE 44.A O no hydrogen 2.837 N/A ILE 36.A N GLU 15.A O no hydrogen 2.621 N/A LYS 43.A N ASP 292.A O no hydrogen 3.154 N/A LYS 43.A NZ ASP 289.A O no hydrogen 3.386 N/A ILE 44.A N TRP 35.A O no hydrogen 2.840 N/A VAL 46.A N GLY 33.A O no hydrogen 2.937 N/A ALA 47.A N THR 94.A O no hydrogen 2.714 N/A ILE 48.A N TYR 31.A O no hydrogen 2.984 N/A LYS 49.A N LEU 92.A O no hydrogen 2.596 N/A LYS 49.A NZ GLU 66.A OE1 no hydrogen 2.867 N/A GLU 50.A N THR 29.A O no hydrogen 3.130 N/A THR 55.A OG1 GLU 53.A O no hydrogen 3.277 N/A THR 55.A OG1 SER 88.A O no hydrogen 3.519 N/A ALA 59.A N SER 56.A O no hydrogen 2.815 N/A ASN 60.A ND2 SER 56.A O no hydrogen 3.461 N/A LYS 61.A N PRO 57.A O no hydrogen 3.367 N/A LYS 61.A NZ ASP 65.A OD2 no hydrogen 3.059 N/A GLU 62.A N ALA 59.A O no hydrogen 3.249 N/A ILE 63.A N ALA 59.A O no hydrogen 3.020 N/A LEU 64.A N ASN 60.A O no hydrogen 3.114 N/A ASP 65.A N LYS 61.A O no hydrogen 3.329 N/A GLU 66.A N GLU 62.A O no hydrogen 3.222 N/A ALA 67.A N ILE 63.A O no hydrogen 2.949 N/A TYR 68.A N LEU 64.A O no hydrogen 2.834 N/A VAL 69.A N ASP 65.A O no hydrogen 2.989 N/A MET 70.A N GLU 66.A O no hydrogen 2.700 N/A ALA 71.A N ALA 67.A O no hydrogen 2.746 N/A SER 72.A N VAL 69.A O no hydrogen 2.925 N/A SER 72.A OG ASN 4.A OD1 no hydrogen 3.064 N/A SER 72.A OG TYR 68.A O no hydrogen 2.633 N/A ASP 74.A N TYR 131.A OH no hydrogen 2.774 N/A HIS 77.A N ASN 75.A OD1 no hydrogen 2.821 N/A HIS 77.A ND1 VAL 155.A O no hydrogen 3.278 N/A VAL 78.A N ASN 75.A O no hydrogen 3.040 N/A CYS 79.A N.A ILE 157.A O no hydrogen 2.915 N/A CYS 79.A N.B ILE 157.A O no hydrogen 2.902 N/A CYS 79.A SG.B THR 94.A OG1 no hydrogen 3.275 N/A LEU 81.A N MET 70.A O no hydrogen 3.349 N/A LEU 82.A N ILE 93.A O no hydrogen 2.802 N/A GLY 83.A N ILE 93.A O no hydrogen 3.365 N/A ILE 84.A N ARG 9.A O no hydrogen 2.933 N/A CYS 85.A N GLN 91.A O no hydrogen 3.035 N/A CYS 85.A SG LEU 11.A O no hydrogen 2.977 N/A THR 87.A OG1 THR 89.A O no hydrogen 2.246 N/A SER 88.A OG THR 87.A O no hydrogen 2.643 N/A THR 89.A OG1 LEU 51.A O no hydrogen 3.545 N/A GLN 91.A N CYS 85.A O no hydrogen 2.930 N/A LEU 92.A N LYS 49.A O no hydrogen 2.910 N/A ILE 93.A N GLY 83.A O no hydrogen 3.039 N/A THR 94.A N ALA 47.A O no hydrogen 2.899 N/A THR 94.A OG1 ARG 80.A O no hydrogen 2.491 N/A LEU 96.A N PRO 45.A O no hydrogen 3.307 N/A PHE 99.A N VAL 149.A O no hydrogen 3.387 N/A GLY 100.A N MET 97.A O no hydrogen 3.198 N/A LEU 102.A N VAL 147.A O no hydrogen 2.781 N/A LEU 103.A N ALA 144.A O no hydrogen 3.144 N/A TYR 105.A N CYS 101.A O no hydrogen 3.111 N/A VAL 106.A N LEU 102.A O no hydrogen 2.925 N/A ARG 107.A N LEU 103.A O no hydrogen 2.953 N/A ARG 107.A NE GLY 206.A O no hydrogen 2.829 N/A ARG 107.A NH2 GLY 206.A O no hydrogen 2.936 N/A GLU 108.A N ASP 104.A O no hydrogen 2.985 N/A HIS 109.A N VAL 106.A O no hydrogen 3.144 N/A ASN 112.A N HIS 109.A O no hydrogen 2.601 N/A ASN 112.A ND2 ASN 112.A O no hydrogen 3.338 N/A SER 115.A N ASP 279.A OD2 no hydrogen 3.199 N/A SER 115.A OG ASP 279.A OD1 no hydrogen 2.878 N/A GLN 116.A NE2 GLN 116.A O no hydrogen 3.555 N/A GLN 116.A NE2 ASN 120.A OD1 no hydrogen 3.453 N/A GLN 116.A NE2 ALA 267.A O no hydrogen 3.073 N/A TYR 117.A N GLY 114.A O no hydrogen 3.124 N/A LEU 118.A N GLY 114.A O no hydrogen 3.251 N/A LEU 119.A N SER 115.A O no hydrogen 3.025 N/A ASN 120.A N GLN 116.A O no hydrogen 3.030 N/A TRP 121.A N TYR 117.A O no hydrogen 2.859 N/A TRP 121.A NE1 PRO 152.A O no hydrogen 2.842 N/A CYS 122.A N LEU 118.A O no hydrogen 3.138 N/A CYS 122.A SG LEU 118.A O no hydrogen 3.164 N/A VAL 123.A N LEU 119.A O no hydrogen 2.884 N/A GLN 124.A N ASN 120.A O no hydrogen 2.780 N/A GLN 124.A NE2 GLN 153.A O no hydrogen 2.788 N/A ILE 125.A N TRP 121.A O no hydrogen 2.939 N/A ALA 126.A N CYS 122.A O no hydrogen 3.150 N/A LYS 127.A N VAL 123.A O no hydrogen 3.023 N/A GLY 128.A N GLN 124.A O no hydrogen 2.983 N/A MET 129.A N ILE 125.A O no hydrogen 2.884 N/A ASN 130.A N ALA 126.A O no hydrogen 2.723 N/A TYR 131.A N LYS 127.A O no hydrogen 2.890 N/A LEU 132.A N GLY 128.A O no hydrogen 3.108 N/A GLU 133.A N MET 129.A O no hydrogen 3.032 N/A ASP 134.A N ASN 130.A O no hydrogen 2.984 N/A ARG 135.A N TYR 131.A O no hydrogen 3.117 N/A ARG 135.A NE TYR 131.A OH no hydrogen 3.529 N/A ARG 135.A NH2 SER 72.A O no hydrogen 2.692 N/A ARG 136.A N GLU 133.A O no hydrogen 2.801 N/A LEU 137.A N LEU 132.A O no hydrogen 2.766 N/A VAL 138.A N LYS 164.A O no hydrogen 2.820 N/A HIS 139.A N ASP 191.A OD1 no hydrogen 2.846 N/A HIS 139.A NE2 THR 158.A O no hydrogen 2.883 N/A ARG 140.A N ASP 191.A OD2 no hydrogen 3.202 N/A ARG 140.A NH1 ARG 162.A O no hydrogen 2.572 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 2.899 N/A ALA 144.A N GLU 201.A OE2 no hydrogen 3.043 N/A ARG 145.A NH1 ASP 141.A OD1 no hydrogen 3.090 N/A ARG 145.A NH1 ASP 141.A OD2 no hydrogen 3.508 N/A ASN 146.A N ALA 143.A O no hydrogen 2.892 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.568 N/A ASN 146.A ND2 ASP 141.A OD2 no hydrogen 3.023 N/A VAL 147.A N ALA 144.A O no hydrogen 3.458 N/A LEU 148.A N LYS 156.A O no hydrogen 2.717 N/A VAL 149.A N GLY 100.A O no hydrogen 2.956 N/A LYS 150.A N HIS 154.A O no hydrogen 2.839 N/A LYS 150.A NZ ASP 295.A OD2 no hydrogen 3.475 N/A LYS 150.A NZ ASP 297.A OD2 no hydrogen 2.456 N/A THR 151.A N HIS 154.A O no hydrogen 3.416 N/A GLN 153.A N THR 151.A OG1 no hydrogen 3.124 N/A HIS 154.A N THR 151.A O no hydrogen 2.751 N/A HIS 154.A NE2 PRO 76.A O no hydrogen 2.817 N/A VAL 155.A N GLN 124.A OE1 no hydrogen 2.932 N/A LYS 156.A N LEU 148.A O no hydrogen 2.838 N/A LYS 156.A NZ ASP 297.A OD1 no hydrogen 2.621 N/A LYS 156.A NZ ASP 297.A OD2 no hydrogen 3.184 N/A ILE 157.A N HIS 77.A O no hydrogen 2.873 N/A THR 158.A N ASN 146.A O no hydrogen 2.916 N/A ARG 162.A NH2 TYR 186.A OH no hydrogen 3.528 N/A ALA 163.A N PHE 160.A O no hydrogen 2.867 N/A LYS 164.A N VAL 138.A O no hydrogen 3.050 N/A LEU 166.A N ARG 136.A O no hydrogen 3.279 N/A ALA 168.A N LEU 165.A O no hydrogen 3.235 N/A LYS 174.A NZ PRO 209.A O no hydrogen 3.316 N/A LYS 174.A NZ TYR 210.A O no hydrogen 2.910 N/A LYS 174.A NZ ILE 213.A O no hydrogen 3.276 N/A TRP 175.A NE1 GLU 201.A OE2 no hydrogen 2.707 N/A MET 176.A N ILE 173.A O no hydrogen 3.048 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.919 N/A SER 180.A N ALA 177.A O no hydrogen 3.062 N/A SER 180.A OG ILE 185.A O no hydrogen 2.483 N/A ILE 181.A N ALA 177.A O no hydrogen 3.251 N/A LEU 182.A N LEU 178.A O no hydrogen 2.906 N/A HIS 183.A N GLU 179.A O no hydrogen 3.064 N/A ARG 184.A N SER 180.A O no hydrogen 3.139 N/A ILE 185.A N GLU 179.A O no hydrogen 3.234 N/A THR 187.A N SER 190.A OG no hydrogen 2.605 N/A GLN 189.A NE2 ALA 250.A O no hydrogen 3.307 N/A GLN 189.A NE2 PRO 254.A O no hydrogen 3.214 N/A SER 190.A N THR 187.A O no hydrogen 2.791 N/A SER 190.A OG THR 187.A O no hydrogen 2.756 N/A ASP 191.A N THR 187.A O no hydrogen 3.154 N/A VAL 192.A N HIS 188.A O no hydrogen 2.961 N/A TRP 193.A N GLN 189.A O no hydrogen 3.346 N/A SER 194.A N SER 190.A O no hydrogen 3.357 N/A SER 194.A OG TRP 175.A O no hydrogen 2.423 N/A SER 194.A OG SER 190.A O no hydrogen 3.179 N/A TYR 195.A N ASP 191.A O no hydrogen 2.878 N/A TYR 195.A OH CYS 122.A O no hydrogen 2.563 N/A GLY 196.A N VAL 192.A O no hydrogen 3.027 N/A VAL 197.A N TRP 193.A O no hydrogen 3.320 N/A THR 198.A N SER 194.A O no hydrogen 2.679 N/A THR 198.A OG1 SER 194.A O no hydrogen 2.673 N/A VAL 199.A N TYR 195.A O no hydrogen 2.685 N/A TRP 200.A N GLY 196.A O no hydrogen 3.067 N/A TRP 200.A NE1 PRO 229.A O no hydrogen 2.764 N/A GLU 201.A N VAL 197.A O no hydrogen 2.746 N/A LEU 202.A N THR 198.A O no hydrogen 3.125 N/A MET 203.A N VAL 199.A O no hydrogen 3.046 N/A THR 204.A N TRP 200.A O no hydrogen 3.175 N/A THR 204.A OG1 TRP 200.A O no hydrogen 3.005 N/A THR 204.A OG1 GLU 201.A O no hydrogen 3.071 N/A PHE 205.A N LEU 202.A O no hydrogen 3.085 N/A GLY 206.A N GLU 201.A O no hydrogen 2.893 N/A SER 207.A N THR 204.A OG1 no hydrogen 3.134 N/A SER 207.A OG THR 204.A O no hydrogen 3.340 N/A GLU 217.A N PRO 214.A O no hydrogen 2.860 N/A SER 220.A N GLU 217.A O no hydrogen 2.820 N/A ILE 221.A N GLU 217.A O no hydrogen 3.316 N/A LEU 222.A N ILE 218.A O no hydrogen 3.045 N/A GLU 223.A N SER 219.A O no hydrogen 3.126 N/A LYS 224.A N SER 220.A O no hydrogen 2.698 N/A GLY 225.A N ILE 221.A O no hydrogen 3.082 N/A GLY 225.A N LEU 222.A O no hydrogen 3.232 N/A GLU 226.A N ILE 221.A O no hydrogen 3.219 N/A ARG 227.A NE GLU 226.A O no hydrogen 2.582 N/A ARG 227.A NH2 LEU 222.A O no hydrogen 2.674 N/A GLN 230.A NE2 CYS 234.A O no hydrogen 2.832 N/A CYS 234.A N PRO 231.A O no hydrogen 2.889 N/A THR 235.A N TYR 273.A O no hydrogen 3.288 N/A THR 235.A OG1 TYR 273.A O no hydrogen 2.583 N/A VAL 238.A N THR 235.A O no hydrogen 3.072 N/A VAL 238.A N THR 235.A OG1 no hydrogen 3.408 N/A TYR 239.A N THR 235.A O no hydrogen 3.087 N/A TYR 239.A OH LEU 228.A O no hydrogen 2.479 N/A MET 240.A N ILE 236.A O no hydrogen 2.859 N/A ILE 241.A N ASP 237.A O no hydrogen 3.435 N/A MET 242.A N VAL 238.A O no hydrogen 3.259 N/A VAL 243.A N TYR 239.A O no hydrogen 3.000 N/A LYS 244.A N MET 240.A O no hydrogen 3.090 N/A CYS 245.A N ILE 241.A O no hydrogen 3.265 N/A CYS 245.A SG ILE 241.A O no hydrogen 3.479 N/A TRP 246.A N VAL 243.A O no hydrogen 2.722 N/A MET 247.A N LYS 244.A O no hydrogen 3.247 N/A SER 252.A N ASP 249.A O no hydrogen 2.707 N/A SER 252.A OG ASP 249.A OD1 no hydrogen 3.151 N/A ARG 253.A N ALA 250.A O no hydrogen 3.234 N/A ARG 253.A NE GLN 189.A O no hydrogen 3.283 N/A ARG 253.A NH1 GLU 179.A OE2 no hydrogen 3.302 N/A ARG 253.A NH1 MET 247.A O no hydrogen 2.957 N/A ARG 253.A NH2 GLU 179.A OE1 no hydrogen 3.205 N/A ARG 253.A NH2 GLU 179.A OE2 no hydrogen 3.227 N/A ARG 253.A NH2 GLN 189.A O no hydrogen 2.769 N/A LYS 255.A N GLU 258.A OE1 no hydrogen 2.967 N/A GLU 258.A N LYS 255.A O no hydrogen 2.872 N/A LEU 259.A N LYS 255.A O no hydrogen 3.098 N/A ILE 260.A N PHE 256.A O no hydrogen 2.942 N/A ILE 261.A N ARG 257.A O no hydrogen 3.291 N/A GLU 262.A N GLU 258.A O no hydrogen 2.753 N/A PHE 263.A N LEU 259.A O no hydrogen 3.013 N/A SER 264.A N ILE 260.A O no hydrogen 2.976 N/A LYS 265.A N ILE 261.A O no hydrogen 2.950 N/A LYS 265.A NZ GLU 262.A OE1 no hydrogen 3.213 N/A MET 266.A N GLU 262.A O no hydrogen 3.112 N/A ALA 267.A N PHE 263.A O no hydrogen 2.612 N/A ARG 268.A N LYS 265.A O no hydrogen 3.002 N/A ASP 269.A N MET 266.A O no hydrogen 3.132 N/A ARG 272.A N ASP 269.A O no hydrogen 2.991 N/A TYR 273.A N PRO 270.A O no hydrogen 3.059 N/A LEU 274.A N PRO 270.A O no hydrogen 2.943 N/A VAL 275.A N ILE 233.A O no hydrogen 2.820 N/A ASP 279.A N ILE 276.A O no hydrogen 3.050 N/A ARG 281.A N GLY 278.A O no hydrogen 3.271 N/A MET 282.A N ASP 279.A O no hydrogen 3.323 N/A VAL 294.A N LYS 43.A O no hydrogen 3.104 N/A ASP 297.A N ASP 295.A OD2 no hydrogen 2.853 N/A GLU 298.A N ASP 295.A O no hydrogen 2.910 N/A TYR 299.A N ALA 296.A O no hydrogen 2.676 N/A TYR 299.A OH GLU 40.A OE2 no hydrogen 2.428 N/A