Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ito_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLU 2.A OE1 no hydrogen 2.722 N/A LEU 12.A N ILE 85.A O no hydrogen 2.578 N/A LYS 13.A N GLU 16.A OE1 no hydrogen 2.681 N/A LYS 13.A NZ GLU 39.A OE2 no hydrogen 2.827 N/A GLU 16.A N LYS 13.A O no hydrogen 2.898 N/A LYS 19.A NZ GLU 51.A OE1 no hydrogen 2.900 N/A LYS 19.A NZ GLN 92.A OE1 no hydrogen 3.251 N/A LEU 23.A N VAL 31.A O no hydrogen 2.811 N/A SER 24.A N VAL 31.A O no hydrogen 3.328 N/A GLY 29.A N GLY 26.A O no hydrogen 3.201 N/A VAL 31.A N SER 24.A O no hydrogen 2.902 N/A TYR 32.A N ILE 49.A O no hydrogen 3.027 N/A TYR 32.A OH GLU 51.A OE1 no hydrogen 3.425 N/A LYS 33.A N LYS 21.A O no hydrogen 2.868 N/A LEU 35.A N LYS 18.A O no hydrogen 2.890 N/A ILE 37.A N GLU 16.A O no hydrogen 2.654 N/A LYS 42.A NZ ASP 293.A OD1 no hydrogen 3.436 N/A LYS 44.A N ASP 293.A O no hydrogen 2.960 N/A LYS 44.A NZ GLU 289.A OE1 no hydrogen 3.197 N/A VAL 47.A N GLY 34.A O no hydrogen 2.797 N/A ALA 48.A N THR 95.A O no hydrogen 2.736 N/A ILE 49.A N TYR 32.A O no hydrogen 3.148 N/A LYS 50.A N LEU 93.A O no hydrogen 2.928 N/A LYS 50.A NZ GLU 67.A OE1 no hydrogen 3.161 N/A GLU 51.A N THR 30.A O no hydrogen 3.029 N/A ARG 53.A NE ALA 27.A O no hydrogen 3.462 N/A ARG 53.A NH2 GLY 26.A O no hydrogen 2.382 N/A THR 56.A OG1 ARG 53.A O no hydrogen 3.389 N/A THR 56.A OG1 GLU 54.A O no hydrogen 2.756 N/A ALA 60.A N SER 57.A O no hydrogen 3.166 N/A ASN 61.A N SER 57.A O no hydrogen 3.464 N/A ASN 61.A ND2 THR 56.A O no hydrogen 3.124 N/A ASN 61.A ND2 SER 57.A O no hydrogen 2.803 N/A LYS 62.A NZ ASP 66.A OD2 no hydrogen 3.119 N/A GLU 63.A N ALA 60.A O no hydrogen 2.671 N/A ILE 64.A N ALA 60.A O no hydrogen 3.336 N/A LEU 65.A N ASN 61.A O no hydrogen 3.194 N/A ASP 66.A N LYS 62.A O no hydrogen 2.963 N/A GLU 67.A N GLU 63.A O no hydrogen 3.336 N/A ALA 68.A N ILE 64.A O no hydrogen 3.117 N/A TYR 69.A N LEU 65.A O no hydrogen 2.759 N/A VAL 70.A N ASP 66.A O no hydrogen 3.035 N/A MET 71.A N GLU 67.A O no hydrogen 2.681 N/A ALA 72.A N ALA 68.A O no hydrogen 2.770 N/A SER 73.A N VAL 70.A O no hydrogen 2.494 N/A SER 73.A OG ASN 5.A OD1 no hydrogen 2.547 N/A SER 73.A OG TYR 69.A O no hydrogen 3.257 N/A ASP 75.A N TYR 132.A OH no hydrogen 3.133 N/A HIS 78.A N ASN 76.A OD1 no hydrogen 3.193 N/A HIS 78.A ND1 VAL 156.A O no hydrogen 3.122 N/A VAL 79.A N ASN 76.A O no hydrogen 2.811 N/A CYS 80.A N ILE 158.A O no hydrogen 2.911 N/A LEU 82.A N MET 71.A O no hydrogen 2.805 N/A LEU 83.A N ILE 94.A O no hydrogen 2.787 N/A GLY 84.A N ILE 94.A O no hydrogen 3.247 N/A ILE 85.A N ARG 10.A O no hydrogen 2.820 N/A CYS 86.A N GLN 92.A O no hydrogen 3.057 N/A CYS 86.A SG LEU 12.A O no hydrogen 3.096 N/A THR 88.A OG1 SER 89.A OG no hydrogen 3.235 N/A THR 88.A OG1 THR 90.A O no hydrogen 2.796 N/A SER 89.A N THR 90.A O no hydrogen 3.383 N/A SER 89.A OG THR 88.A OG1 no hydrogen 3.235 N/A THR 90.A OG1 LEU 52.A O no hydrogen 3.061 N/A THR 90.A OG1 THR 56.A OG1 no hydrogen 3.267 N/A GLN 92.A N CYS 86.A O no hydrogen 2.980 N/A LEU 93.A N LYS 50.A O no hydrogen 2.946 N/A ILE 94.A N GLY 84.A O no hydrogen 2.996 N/A THR 95.A N ALA 48.A O no hydrogen 2.916 N/A THR 95.A OG1 ARG 81.A O no hydrogen 2.991 N/A LEU 97.A N PRO 46.A O no hydrogen 3.332 N/A GLY 101.A N MET 98.A O no hydrogen 2.827 N/A LEU 103.A N VAL 148.A O no hydrogen 2.741 N/A LEU 104.A N ALA 145.A O no hydrogen 3.247 N/A TYR 106.A N CYS 102.A O no hydrogen 3.054 N/A VAL 107.A N LEU 103.A O no hydrogen 2.909 N/A ARG 108.A N LEU 104.A O no hydrogen 3.099 N/A ARG 108.A NE GLY 207.A O no hydrogen 2.875 N/A ARG 108.A NH2 GLY 207.A O no hydrogen 3.009 N/A GLU 109.A N ASP 105.A O no hydrogen 3.107 N/A HIS 110.A N TYR 106.A O no hydrogen 2.889 N/A ASN 113.A N HIS 110.A O no hydrogen 2.762 N/A ASN 113.A ND2 HIS 284.A O no hydrogen 2.454 N/A SER 116.A N ASP 280.A OD2 no hydrogen 3.304 N/A SER 116.A OG ASP 280.A OD1 no hydrogen 2.952 N/A GLN 117.A NE2 GLN 117.A O no hydrogen 3.325 N/A GLN 117.A NE2 ASN 121.A OD1 no hydrogen 3.646 N/A GLN 117.A NE2 ALA 268.A O no hydrogen 3.271 N/A TYR 118.A N GLY 115.A O no hydrogen 3.171 N/A LEU 119.A N GLY 115.A O no hydrogen 3.229 N/A LEU 120.A N SER 116.A O no hydrogen 2.729 N/A ASN 121.A N GLN 117.A O no hydrogen 3.122 N/A TRP 122.A N TYR 118.A O no hydrogen 3.001 N/A TRP 122.A NE1 PRO 153.A O no hydrogen 2.852 N/A CYS 123.A N LEU 119.A O no hydrogen 3.162 N/A CYS 123.A SG LEU 119.A O no hydrogen 3.396 N/A VAL 124.A N LEU 120.A O no hydrogen 3.146 N/A GLN 125.A N ASN 121.A O no hydrogen 2.788 N/A GLN 125.A NE2 GLN 154.A O no hydrogen 2.961 N/A ILE 126.A N TRP 122.A O no hydrogen 2.782 N/A ALA 127.A N CYS 123.A O no hydrogen 3.007 N/A LYS 128.A N VAL 124.A O no hydrogen 2.788 N/A GLY 129.A N GLN 125.A O no hydrogen 2.835 N/A MET 130.A N ILE 126.A O no hydrogen 2.770 N/A ASN 131.A N ALA 127.A O no hydrogen 2.769 N/A TYR 132.A N LYS 128.A O no hydrogen 3.075 N/A LEU 133.A N GLY 129.A O no hydrogen 3.129 N/A GLU 134.A N MET 130.A O no hydrogen 3.023 N/A ASP 135.A N ASN 131.A O no hydrogen 2.936 N/A ARG 136.A N TYR 132.A O no hydrogen 2.918 N/A ARG 136.A NH2 SER 73.A O no hydrogen 2.656 N/A LEU 138.A N LEU 133.A O no hydrogen 2.884 N/A VAL 139.A N LYS 165.A O no hydrogen 2.691 N/A HIS 140.A N ASP 192.A OD1 no hydrogen 2.978 N/A HIS 140.A NE2 THR 159.A O no hydrogen 2.842 N/A ARG 141.A N ASP 192.A OD2 no hydrogen 3.104 N/A ARG 141.A NH1 LEU 163.A O no hydrogen 2.627 N/A ALA 145.A N GLU 202.A OE2 no hydrogen 3.277 N/A ARG 146.A NH1 ASP 142.A OD1 no hydrogen 3.388 N/A ARG 146.A NH1 ASP 142.A OD2 no hydrogen 3.148 N/A ARG 146.A NH2 ASP 142.A OD1 no hydrogen 3.491 N/A ASN 147.A N ALA 144.A O no hydrogen 2.645 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.931 N/A VAL 148.A N ALA 145.A O no hydrogen 3.284 N/A LEU 149.A N LYS 157.A O no hydrogen 2.923 N/A VAL 150.A N GLY 101.A O no hydrogen 2.976 N/A LYS 151.A N HIS 155.A O no hydrogen 2.807 N/A LYS 151.A NZ ASP 296.A OD2 no hydrogen 3.416 N/A LYS 151.A NZ ASP 298.A OD2 no hydrogen 3.015 N/A THR 152.A OG1 GLN 154.A OE1 no hydrogen 3.237 N/A GLN 154.A N THR 152.A OG1 no hydrogen 2.944 N/A HIS 155.A N THR 152.A O no hydrogen 2.995 N/A HIS 155.A NE2 PRO 77.A O no hydrogen 2.720 N/A VAL 156.A N GLN 125.A OE1 no hydrogen 2.808 N/A LYS 157.A N LEU 149.A O no hydrogen 2.807 N/A LYS 157.A NZ ASP 298.A OD1 no hydrogen 2.889 N/A LYS 157.A NZ ASP 298.A OD2 no hydrogen 2.902 N/A ILE 158.A N HIS 78.A O no hydrogen 3.199 N/A THR 159.A N ASN 147.A O no hydrogen 3.080 N/A ALA 164.A N PHE 161.A O no hydrogen 3.012 N/A LYS 165.A N VAL 139.A O no hydrogen 2.899 N/A LEU 167.A N ARG 137.A O no hydrogen 3.439 N/A ALA 169.A N LEU 166.A O no hydrogen 3.446 N/A LYS 175.A NZ PRO 210.A O no hydrogen 3.418 N/A LYS 175.A NZ TYR 211.A O no hydrogen 3.051 N/A LYS 175.A NZ ILE 214.A O no hydrogen 3.345 N/A TRP 176.A N PRO 173.A O no hydrogen 3.309 N/A TRP 176.A NE1 GLU 202.A OE2 no hydrogen 2.377 N/A MET 177.A N ILE 174.A O no hydrogen 3.107 N/A GLU 180.A N GLU 180.A OE2 no hydrogen 3.004 N/A SER 181.A OG ILE 186.A O no hydrogen 3.102 N/A ILE 182.A N ALA 178.A O no hydrogen 3.416 N/A LEU 183.A N LEU 179.A O no hydrogen 3.033 N/A ILE 186.A N GLU 180.A O no hydrogen 2.980 N/A GLN 190.A N THR 188.A OG1 no hydrogen 3.001 N/A GLN 190.A NE2 ALA 251.A O no hydrogen 3.204 N/A GLN 190.A NE2 ARG 254.A O no hydrogen 3.435 N/A GLN 190.A NE2 PRO 255.A O no hydrogen 3.427 N/A SER 191.A N THR 188.A O no hydrogen 2.911 N/A SER 191.A OG THR 188.A O no hydrogen 2.898 N/A ASP 192.A N THR 188.A O no hydrogen 3.349 N/A ASP 192.A N HIS 189.A O no hydrogen 2.691 N/A VAL 193.A N HIS 189.A O no hydrogen 3.053 N/A SER 195.A OG TRP 176.A O no hydrogen 2.712 N/A TYR 196.A N ASP 192.A O no hydrogen 2.865 N/A TYR 196.A OH CYS 123.A O no hydrogen 2.647 N/A GLY 197.A N VAL 193.A O no hydrogen 2.930 N/A VAL 198.A N TRP 194.A O no hydrogen 2.941 N/A THR 199.A N SER 195.A O no hydrogen 2.625 N/A THR 199.A OG1 SER 195.A O no hydrogen 2.808 N/A VAL 200.A N TYR 196.A O no hydrogen 2.678 N/A TRP 201.A N GLY 197.A O no hydrogen 2.919 N/A TRP 201.A NE1 PRO 230.A O no hydrogen 2.915 N/A GLU 202.A N VAL 198.A O no hydrogen 2.919 N/A LEU 203.A N THR 199.A O no hydrogen 3.171 N/A MET 204.A N VAL 200.A O no hydrogen 2.792 N/A THR 205.A N TRP 201.A O no hydrogen 2.924 N/A THR 205.A OG1 TRP 201.A O no hydrogen 2.827 N/A THR 205.A OG1 GLU 202.A O no hydrogen 3.290 N/A PHE 206.A N LEU 203.A O no hydrogen 2.663 N/A GLY 207.A N GLU 202.A O no hydrogen 2.678 N/A SER 208.A N THR 205.A O no hydrogen 3.039 N/A SER 208.A N THR 205.A OG1 no hydrogen 3.270 N/A SER 208.A OG THR 205.A O no hydrogen 2.963 N/A ILE 214.A N ASP 212.A O no hydrogen 2.881 N/A GLU 218.A N PRO 215.A O no hydrogen 3.192 N/A ILE 219.A N ALA 216.A O no hydrogen 2.643 N/A SER 220.A OG SER 217.A O no hydrogen 3.567 N/A SER 221.A N GLU 218.A O no hydrogen 2.830 N/A ILE 222.A N GLU 218.A O no hydrogen 3.080 N/A LEU 223.A N ILE 219.A O no hydrogen 2.982 N/A GLU 224.A N SER 221.A O no hydrogen 3.034 N/A LYS 225.A N SER 221.A O no hydrogen 3.238 N/A LYS 225.A N ILE 222.A O no hydrogen 2.828 N/A GLY 226.A N LEU 223.A O no hydrogen 3.138 N/A ARG 228.A NE GLU 227.A O no hydrogen 2.773 N/A GLN 231.A NE2 CYS 235.A O no hydrogen 2.715 N/A CYS 235.A N PRO 232.A O no hydrogen 2.761 N/A THR 236.A N TYR 274.A O no hydrogen 3.284 N/A THR 236.A OG1 ASP 238.A OD1 no hydrogen 3.421 N/A THR 236.A OG1 TYR 274.A O no hydrogen 2.658 N/A TYR 240.A N THR 236.A O no hydrogen 2.990 N/A TYR 240.A OH LEU 229.A O no hydrogen 2.421 N/A MET 241.A N ILE 237.A O no hydrogen 2.743 N/A ILE 242.A N ASP 238.A O no hydrogen 3.406 N/A MET 243.A N VAL 239.A O no hydrogen 3.141 N/A VAL 244.A N TYR 240.A O no hydrogen 3.074 N/A LYS 245.A N MET 241.A O no hydrogen 2.886 N/A CYS 246.A N MET 243.A O no hydrogen 3.060 N/A CYS 246.A SG VAL 193.A O no hydrogen 3.654 N/A CYS 246.A SG ILE 242.A O no hydrogen 3.719 N/A TRP 247.A N VAL 244.A O no hydrogen 2.982 N/A TRP 247.A NE1 TRP 194.A O no hydrogen 3.302 N/A SER 253.A N ASP 250.A O no hydrogen 3.000 N/A SER 253.A OG ASP 250.A OD1 no hydrogen 2.862 N/A ARG 254.A N ALA 251.A O no hydrogen 3.272 N/A ARG 254.A NE GLN 190.A O no hydrogen 3.306 N/A ARG 254.A NH1 MET 248.A O no hydrogen 2.430 N/A ARG 254.A NH2 GLU 180.A OE2 no hydrogen 2.866 N/A ARG 254.A NH2 GLN 190.A O no hydrogen 3.321 N/A LYS 256.A N GLU 259.A OE1 no hydrogen 2.705 N/A LYS 256.A NZ GLU 134.A OE1 no hydrogen 3.049 N/A LYS 256.A NZ GLN 190.A OE1 no hydrogen 2.881 N/A LEU 260.A N LYS 256.A O no hydrogen 2.843 N/A ILE 261.A N PHE 257.A O no hydrogen 2.928 N/A ILE 262.A N ARG 258.A O no hydrogen 3.377 N/A GLU 263.A N GLU 259.A O no hydrogen 2.898 N/A PHE 264.A N LEU 260.A O no hydrogen 3.213 N/A SER 265.A N ILE 261.A O no hydrogen 2.810 N/A LYS 266.A N ILE 262.A O no hydrogen 2.732 N/A LYS 266.A NZ GLU 263.A OE1 no hydrogen 3.079 N/A LYS 266.A NZ GLU 263.A OE2 no hydrogen 3.049 N/A MET 267.A N GLU 263.A O no hydrogen 2.831 N/A ALA 268.A N PHE 264.A O no hydrogen 2.747 N/A ARG 269.A N LYS 266.A O no hydrogen 3.128 N/A ASP 270.A N MET 267.A O no hydrogen 2.987 N/A GLN 272.A NE2 GLU 281.A OE2 no hydrogen 3.570 N/A ARG 273.A N ASP 270.A O no hydrogen 3.081 N/A TYR 274.A N PRO 271.A O no hydrogen 2.948 N/A LEU 275.A N PRO 271.A O no hydrogen 3.090 N/A VAL 276.A N ILE 234.A O no hydrogen 3.069 N/A GLN 278.A NE2 VAL 276.A O no hydrogen 3.561 N/A ARG 282.A N GLY 279.A O no hydrogen 3.402 N/A MET 283.A N ASP 280.A O no hydrogen 2.954 N/A VAL 295.A N LYS 44.A O no hydrogen 2.951 N/A ASP 298.A N ASP 296.A OD2 no hydrogen 3.026 N/A GLU 299.A N ASP 296.A O no hydrogen 2.976 N/A TYR 300.A N ALA 297.A O no hydrogen 2.890 N/A TYR 300.A OH GLU 41.A OE2 no hydrogen 2.736 N/A