Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3akk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N LEU 75.A O no hydrogen 3.538 N/A PHE 5.A N THR 77.A O no hydrogen 2.764 N/A THR 6.A N ASP 4.A OD1 no hydrogen 2.974 N/A THR 6.A OG1 ASP 4.A OD1 no hydrogen 2.451 N/A CYS 8.A N PHE 5.A O no hydrogen 2.850 N/A CYS 8.A SG PHE 5.A O no hydrogen 3.346 N/A ASN 11.A N SER 25.A O no hydrogen 2.760 N/A ASN 11.A ND2 SER 25.A OG no hydrogen 3.223 N/A LYS 13.A N ASN 11.A OD1 no hydrogen 3.347 N/A LYS 14.A NZ ASP 88.A OD1 no hydrogen 3.277 N/A LYS 14.A NZ THR 90.A OG1 no hydrogen 2.831 N/A LYS 23.A NZ GLY 17.A O no hydrogen 2.851 N/A LYS 23.A NZ GLY 21.A O no hydrogen 2.831 N/A ILE 24.A N VAL 35.A O no hydrogen 3.147 N/A LEU 26.A N TYR 33.A O no hydrogen 3.229 N/A PHE 27.A N GLU 9.A O no hydrogen 2.867 N/A TYR 28.A N GLU 31.A O no hydrogen 2.765 N/A GLU 31.A N TYR 28.A O no hydrogen 2.939 N/A TYR 33.A N LEU 26.A O no hydrogen 2.898 N/A MET 34.A N CYS 86.A O no hydrogen 2.834 N/A VAL 35.A N ILE 24.A O no hydrogen 2.935 N/A LYS 36.A N VAL 84.A O no hydrogen 3.056 N/A LYS 36.A NZ GLU 56.A OE2 no hydrogen 2.943 N/A PHE 37.A N ASN 22.A O no hydrogen 2.932 N/A THR 43.A OG1 SER 42.A O no hydrogen 3.287 N/A ASN 51.A ND2 PRO 185.A O no hydrogen 2.949 N/A CYS 53.A N THR 50.A O no hydrogen 3.354 N/A SER 55.A N ASN 51.A O no hydrogen 2.999 N/A SER 55.A OG CYS 182.A O no hydrogen 3.001 N/A SER 55.A OG LEU 183.A O no hydrogen 3.561 N/A GLU 56.A N GLY 52.A O no hydrogen 3.148 N/A TYR 57.A N CYS 53.A O no hydrogen 3.124 N/A VAL 58.A N PHE 54.A O no hydrogen 2.828 N/A ALA 59.A N SER 55.A O no hydrogen 2.906 N/A CYS 60.A N GLU 56.A O no hydrogen 3.101 N/A CYS 60.A SG GLU 56.A O no hydrogen 3.180 N/A CYS 60.A SG GLU 56.A OE1 no hydrogen 2.965 N/A HIS 61.A N TYR 57.A O no hydrogen 3.276 N/A HIS 61.A NE2 THR 73.A O no hydrogen 2.860 N/A ILE 62.A N VAL 58.A O no hydrogen 3.093 N/A VAL 63.A N ALA 59.A O no hydrogen 2.957 N/A ASN 64.A N CYS 60.A O no hydrogen 2.697 N/A SER 65.A N HIS 61.A O no hydrogen 2.834 N/A SER 65.A OG ILE 62.A O no hydrogen 2.825 N/A LEU 66.A N VAL 63.A O no hydrogen 3.184 N/A GLY 67.A N ASN 64.A O no hydrogen 2.754 N/A LEU 68.A N VAL 63.A O no hydrogen 3.254 N/A LYS 69.A NZ ILE 173.A O no hydrogen 2.855 N/A GLN 71.A N ILE 176.A O no hydrogen 3.105 N/A THR 73.A OG1 TYR 57.A O no hydrogen 3.341 N/A LEU 74.A N ALA 85.A O no hydrogen 2.887 N/A GLY 76.A N VAL 83.A O no hydrogen 3.294 N/A THR 77.A N ILE 3.A O no hydrogen 2.841 N/A TYR 78.A N LYS 81.A O no hydrogen 2.852 N/A LYS 79.A N THR 6.A OG1 no hydrogen 2.978 N/A LYS 81.A N TYR 78.A O no hydrogen 3.052 N/A LYS 81.A NZ LYS 79.A O no hydrogen 2.981 N/A VAL 83.A N GLY 76.A O no hydrogen 3.027 N/A VAL 84.A N LYS 36.A O no hydrogen 3.284 N/A ALA 85.A N LEU 74.A O no hydrogen 2.903 N/A CYS 86.A N MET 34.A O no hydrogen 2.990 N/A CYS 86.A SG MET 34.A O no hydrogen 3.950 N/A CYS 86.A SG VAL 84.A O no hydrogen 3.616 N/A LYS 87.A N GLU 72.A O no hydrogen 2.954 N/A LYS 87.A NZ GLU 72.A OE2 no hydrogen 3.532 N/A ASP 88.A N LEU 32.A O no hydrogen 2.988 N/A THR 90.A N ASP 88.A OD2 no hydrogen 2.839 N/A THR 90.A OG1 ASP 88.A OD2 no hydrogen 2.823 N/A GLU 95.A N ARG 164.A O no hydrogen 2.957 N/A VAL 97.A N PHE 162.A O no hydrogen 2.908 N/A PHE 99.A N TRP 160.A O no hydrogen 3.048 N/A LEU 100.A N ASN 157.A O no hydrogen 2.620 N/A SER 101.A N ASP 98.A OD1 no hydrogen 2.822 N/A SER 101.A OG ASP 98.A OD1 no hydrogen 3.089 N/A LEU 102.A N ASP 98.A O no hydrogen 3.346 N/A LYS 103.A N PHE 99.A O no hydrogen 2.528 N/A LYS 103.A NZ SER 112.A O no hydrogen 2.939 N/A LYS 103.A NZ ASP 115.A O no hydrogen 3.193 N/A ASN 104.A N LEU 100.A O no hydrogen 2.803 N/A THR 105.A N LEU 102.A O no hydrogen 3.029 N/A THR 105.A OG1 LEU 102.A O no hydrogen 2.752 N/A MET 106.A N LYS 103.A O no hydrogen 3.041 N/A ILE 107.A N THR 105.A O no hydrogen 2.756 N/A GLU 108.A N GLU 108.A OE1 no hydrogen 2.777 N/A LEU 109.A N MET 106.A O no hydrogen 3.054 N/A GLU 110.A N ILE 107.A O no hydrogen 3.050 N/A LYS 111.A NZ ASP 120.A OD2 no hydrogen 2.591 N/A GLY 113.A N ASN 104.A OD1 no hydrogen 2.906 N/A ASP 115.A N SER 112.A O no hydrogen 3.097 N/A THR 116.A OG1 ILE 213.A O no hydrogen 2.793 N/A ASN 117.A N ASP 115.A OD2 no hydrogen 3.344 N/A ASN 117.A ND2 ASP 217.A OD1 no hydrogen 3.004 N/A LEU 118.A N LYS 215.A O no hydrogen 2.770 N/A ASN 119.A ND2 ASP 217.A OD1 no hydrogen 2.843 N/A ASP 120.A N ASN 117.A OD1 no hydrogen 2.773 N/A VAL 121.A N ASN 117.A O no hydrogen 2.999 N/A LEU 122.A N LEU 118.A O no hydrogen 2.851 N/A TYR 123.A N ASN 119.A O no hydrogen 2.862 N/A TYR 123.A OH GLU 108.A OE2 no hydrogen 2.580 N/A ALA 124.A N ASP 120.A O no hydrogen 2.855 N/A ILE 125.A N VAL 121.A O no hydrogen 2.852 N/A ASP 126.A N LEU 122.A O no hydrogen 3.010 N/A ASN 127.A N TYR 123.A O no hydrogen 2.973 N/A GLN 128.A NE2 ILE 125.A O no hydrogen 2.869 N/A GLN 128.A NE2 ILE 131.A O no hydrogen 2.832 N/A ILE 131.A N GLN 128.A OE1 no hydrogen 3.000 N/A LEU 136.A N GLU 132.A O no hydrogen 3.114 N/A LYS 137.A N PRO 133.A O no hydrogen 2.759 N/A LYS 137.A NZ ASP 235.A OD1 no hydrogen 3.192 N/A CYS 138.A N LYS 134.A O no hydrogen 3.208 N/A CYS 138.A SG LYS 134.A O no hydrogen 3.491 N/A PHE 139.A N VAL 135.A O no hydrogen 3.116 N/A PHE 140.A N LEU 136.A O no hydrogen 3.021 N/A PHE 140.A N LYS 137.A O no hydrogen 2.834 N/A TRP 141.A N LYS 137.A O no hydrogen 3.003 N/A ASP 142.A N CYS 138.A O no hydrogen 2.940 N/A MET 143.A N PHE 139.A O no hydrogen 3.052 N/A PHE 144.A N PHE 140.A O no hydrogen 3.071 N/A VAL 145.A N TRP 141.A O no hydrogen 2.828 N/A ALA 146.A N ASP 142.A O no hydrogen 2.992 N/A ASP 147.A N MET 143.A O no hydrogen 2.712 N/A THR 148.A N VAL 145.A O no hydrogen 2.826 N/A THR 148.A OG1 PHE 144.A O no hydrogen 2.953 N/A LEU 149.A N VAL 145.A O no hydrogen 3.155 N/A LEU 150.A N ALA 146.A O no hydrogen 3.022 N/A ASN 152.A N ASP 147.A O no hydrogen 2.893 N/A ASN 152.A ND2 ASP 147.A OD1 no hydrogen 2.842 N/A PHE 153.A N SER 181.A O no hydrogen 3.440 N/A ASP 154.A N ASN 152.A OD1 no hydrogen 3.099 N/A ARG 155.A NE ASN 159.A O no hydrogen 3.242 N/A ARG 155.A NH1 ASP 147.A OD1 no hydrogen 3.119 N/A ARG 155.A NH1 ASP 147.A OD2 no hydrogen 3.327 N/A ARG 155.A NH2 ASN 159.A O no hydrogen 3.054 N/A ASN 157.A ND2 GLY 113.A O no hydrogen 2.922 N/A ASN 157.A ND2 ASP 115.A O no hydrogen 2.892 N/A GLY 158.A N HIS 156.A ND1 no hydrogen 3.071 N/A ASN 159.A N HIS 156.A O no hydrogen 3.045 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.849 N/A PHE 162.A N VAL 97.A O no hydrogen 2.819 N/A LEU 163.A N GLN 172.A O no hydrogen 2.709 N/A ARG 164.A N GLU 95.A O no hydrogen 3.024 N/A ARG 164.A NH1 GLU 95.A OE2 no hydrogen 2.533 N/A ARG 164.A NH2 SER 168.A OG no hydrogen 2.296 N/A ALA 165.A N GLU 170.A O no hydrogen 3.332 N/A SER 166.A N GLN 93.A O no hydrogen 3.011 N/A SER 168.A OG ALA 165.A O no hydrogen 3.394 N/A TYR 171.A N GLU 170.A OE2 no hydrogen 3.061 N/A GLN 172.A N LEU 163.A O no hydrogen 2.796 N/A ALA 174.A N GLY 161.A O no hydrogen 2.961 N/A ILE 176.A N LYS 69.A O no hydrogen 3.105 N/A CYS 179.A N GLU 56.A OE1 no hydrogen 2.661 N/A CYS 182.A N CYS 179.A O no hydrogen 3.043 N/A CYS 182.A SG CYS 179.A O no hydrogen 3.491 N/A LEU 183.A N LEU 150.A O no hydrogen 2.857 N/A TYR 184.A OH ARG 205.A O no hydrogen 2.548 N/A ALA 187.A N TYR 184.A O no hydrogen 3.126 N/A VAL 190.A N ASP 188.A OD1 no hydrogen 2.997 N/A VAL 191.A N ASP 188.A OD1 no hydrogen 3.145 N/A CYS 192.A N ASP 188.A O no hydrogen 3.058 N/A CYS 192.A SG ASP 188.A O no hydrogen 3.246 N/A CYS 192.A SG HIS 266.A ND1 no hydrogen 3.695 N/A GLN 193.A N ASP 189.A O no hydrogen 3.213 N/A LYS 194.A N VAL 190.A O no hydrogen 3.065 N/A LYS 194.A NZ GLU 201.A OE1 no hydrogen 3.343 N/A VAL 195.A N VAL 191.A O no hydrogen 2.832 N/A LEU 196.A N CYS 192.A O no hydrogen 2.917 N/A SER 197.A N GLN 193.A O no hydrogen 3.258 N/A SER 197.A N LYS 194.A O no hydrogen 3.176 N/A SER 197.A OG GLN 193.A O no hydrogen 2.561 N/A ASN 198.A N LYS 194.A O no hydrogen 3.010 N/A ASP 200.A N ASN 198.A OD1 no hydrogen 3.185 N/A GLU 201.A N ASN 198.A O no hydrogen 2.642 N/A LEU 202.A N ASN 198.A O no hydrogen 3.155 N/A ASN 203.A N ILE 199.A O no hydrogen 2.815 N/A ALA 204.A N ASP 200.A O no hydrogen 3.007 N/A ARG 205.A N LEU 202.A O no hydrogen 2.928 N/A ARG 205.A NH1 GLU 201.A OE1 no hydrogen 2.966 N/A ILE 206.A N ASN 203.A O no hydrogen 2.989 N/A TYR 207.A N ASN 203.A O no hydrogen 2.867 N/A ASN 208.A N ALA 204.A O no hydrogen 3.194 N/A PHE 209.A N ALA 204.A O no hydrogen 3.096 N/A SER 212.A N ILE 222.A O no hydrogen 2.995 N/A LEU 214.A N SER 212.A OG no hydrogen 3.044 N/A LYS 215.A N THR 116.A O no hydrogen 3.182 N/A LYS 215.A NZ ASP 115.A OD1 no hydrogen 2.821 N/A LYS 215.A NZ ASP 219.A OD1 no hydrogen 3.000 N/A ASP 216.A N LYS 220.A O no hydrogen 2.951 N/A ASN 218.A N ASP 216.A OD2 no hydrogen 3.107 N/A ASP 219.A N ASP 216.A O no hydrogen 2.745 N/A LYS 220.A N ASP 216.A OD2 no hydrogen 3.031 N/A LYS 220.A NZ ASP 216.A OD1 no hydrogen 2.770 N/A LYS 220.A NZ ASN 218.A OD1 no hydrogen 3.340 N/A ILE 222.A N LEU 214.A O no hydrogen 2.678 N/A ASN 223.A ND2 TYR 207.A O no hydrogen 2.720 N/A TYR 224.A OH ASN 152.A O no hydrogen 2.582 N/A ASP 226.A N ASN 223.A OD1 no hydrogen 3.079 N/A PHE 227.A N ASN 223.A O no hydrogen 2.895 N/A LEU 228.A N TYR 224.A O no hydrogen 3.373 N/A THR 229.A N TYR 225.A O no hydrogen 3.186 N/A THR 229.A OG1 TYR 225.A O no hydrogen 2.838 N/A GLN 230.A N PHE 227.A O no hydrogen 3.251 N/A THR 231.A N PHE 227.A O no hydrogen 2.678 N/A ASN 233.A N THR 231.A OG1 no hydrogen 2.891 N/A CYS 236.A N ASN 233.A OD1 no hydrogen 3.188 N/A LEU 237.A N ASN 233.A O no hydrogen 3.089 N/A ASP 238.A N LYS 234.A O no hydrogen 2.816 N/A ALA 239.A N ASP 235.A O no hydrogen 3.190 N/A LEU 240.A N CYS 236.A O no hydrogen 3.072 N/A LEU 241.A N LEU 237.A O no hydrogen 2.977 N/A ARG 242.A N ASP 238.A O no hydrogen 3.149 N/A ARG 242.A N ALA 239.A O no hydrogen 3.158 N/A ARG 242.A NH2 ASP 142.A OD1 no hydrogen 2.610 N/A ILE 243.A N ALA 239.A O no hydrogen 2.906 N/A TYR 244.A N LEU 240.A O no hydrogen 2.992 N/A TYR 244.A OH ASP 283.A OD1 no hydrogen 2.659 N/A ARG 246.A N ILE 243.A O no hydrogen 2.940 N/A ARG 246.A NH1 LEU 66.A O no hydrogen 3.407 N/A ILE 247.A N TYR 244.A O no hydrogen 2.881 N/A ASN 250.A N ASP 248.A OD1 no hydrogen 3.178 N/A ILE 252.A N ASP 248.A O no hydrogen 3.069 N/A HIS 253.A N MET 249.A O no hydrogen 3.046 N/A HIS 253.A ND1 MET 249.A O no hydrogen 2.691 N/A HIS 253.A NE2 HIS 271.A O no hydrogen 3.325 N/A SER 254.A N ASN 250.A O no hydrogen 2.979 N/A SER 254.A OG ASN 250.A O no hydrogen 3.441 N/A ILE 255.A N LYS 251.A O no hydrogen 2.868 N/A ILE 256.A N ILE 252.A O no hydrogen 3.208 N/A ASP 257.A N HIS 253.A O no hydrogen 3.125 N/A ASN 258.A N SER 254.A O no hydrogen 2.957 N/A THR 259.A N ILE 256.A O no hydrogen 2.927 N/A THR 259.A OG1 ILE 255.A O no hydrogen 2.947 N/A THR 259.A OG1 ILE 256.A O no hydrogen 3.274 N/A MET 262.A N PRO 260.A O no hydrogen 2.387 N/A SER 263.A OG ASP 189.A OD1 no hydrogen 2.682 N/A HIS 266.A N SER 263.A OG no hydrogen 2.981 N/A LYS 267.A N SER 263.A O no hydrogen 2.712 N/A LYS 267.A NZ ASP 257.A O no hydrogen 2.862 N/A GLU 268.A N GLU 264.A O no hydrogen 3.220 N/A PHE 269.A N HIS 266.A O no hydrogen 3.191 N/A LEU 270.A N HIS 266.A O no hydrogen 3.116 N/A HIS 271.A N LYS 267.A O no hydrogen 2.901 N/A HIS 271.A NE2 ASP 257.A OD1 no hydrogen 3.222 N/A THR 272.A N GLU 268.A O no hydrogen 3.074 N/A THR 272.A OG1 GLU 268.A O no hydrogen 3.113 N/A THR 272.A OG1 GLU 268.A OE2 no hydrogen 3.543 N/A MET 273.A N PHE 269.A O no hydrogen 2.710 N/A LEU 274.A N LEU 270.A O no hydrogen 2.770 N/A ASP 275.A N HIS 271.A O no hydrogen 3.147 N/A GLU 276.A N THR 272.A O no hydrogen 2.978 N/A ARG 277.A N MET 273.A O no hydrogen 2.815 N/A ARG 277.A NE THR 148.A O no hydrogen 2.889 N/A ARG 277.A NE LEU 149.A O no hydrogen 3.119 N/A ARG 277.A NH1 TYR 184.A OH no hydrogen 2.884 N/A ARG 277.A NH2 THR 148.A O no hydrogen 2.847 N/A LYS 278.A N LEU 274.A O no hydrogen 2.673 N/A LYS 278.A NZ TYR 244.A OH no hydrogen 3.380 N/A LYS 278.A NZ ASP 283.A OD1 no hydrogen 2.611 N/A LYS 278.A NZ ASP 283.A OD2 no hydrogen 3.383 N/A SER 279.A N ASP 275.A O no hydrogen 2.910 N/A SER 279.A OG ASP 275.A O no hydrogen 3.248 N/A LYS 280.A N GLU 276.A O no hydrogen 2.836 N/A LYS 280.A NZ ASN 203.A OD1 no hydrogen 3.049 N/A LYS 280.A NZ GLU 276.A OE1 no hydrogen 2.839 N/A ILE 281.A N ARG 277.A O no hydrogen 3.191 N/A ILE 282.A N ARG 277.A O no hydrogen 3.338 N/A ASP 283.A N LYS 278.A O no hydrogen 3.045 N/A ALA 285.A N ILE 281.A O no hydrogen 2.773 N/A HIS 286.A N ILE 282.A O no hydrogen 2.553 N/A THR 287.A N ASP 283.A O no hydrogen 2.688 N/A THR 287.A OG1 ASP 283.A O no hydrogen 3.024 N/A ARG 288.A N VAL 284.A O no hydrogen 3.363 N/A ARG 288.A NH1 THR 231.A O no hydrogen 3.049 N/A ARG 288.A NH2 THR 231.A O no hydrogen 2.827 N/A ALA 289.A N ALA 285.A O no hydrogen 2.956 N/A ILE 290.A N HIS 286.A O no hydrogen 2.881 N/A GLU 291.A N THR 287.A O no hydrogen 3.153 N/A LEU 292.A N ARG 288.A O no hydrogen 2.939 N/A SER 293.A N ILE 290.A O no hydrogen 3.218 N/A SER 293.A OG ILE 290.A O no hydrogen 2.498 N/A LEU 294.A N GLU 291.A O no hydrogen 3.283 N/A