Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nd1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 ASP 30.A OD1 no hydrogen 2.879 N/A ARG 4.A NH1 THR 58.A O no hydrogen 2.701 N/A ARG 4.A NH2 THR 58.A O no hydrogen 3.289 N/A LYS 6.A N ASP 74.A OD2 no hydrogen 3.089 N/A LYS 6.A NZ ASP 69.A O no hydrogen 2.797 N/A LYS 6.A NZ SER 71.A O no hydrogen 2.624 N/A ILE 7.A N ASP 30.A O no hydrogen 2.799 N/A ALA 8.A N VAL 75.A O no hydrogen 2.856 N/A VAL 9.A N VAL 32.A O no hydrogen 2.857 N/A ILE 10.A N ILE 77.A O no hydrogen 2.878 N/A GLY 11.A N PHE 34.A O no hydrogen 2.744 N/A SER 12.A N ASP 35.A OD2 no hydrogen 2.689 N/A SER 12.A OG PHE 34.A O no hydrogen 2.945 N/A GLY 17.A N GLY 13.A O no hydrogen 2.906 N/A ASN 18.A N GLN 14.A O no hydrogen 3.456 N/A ASN 18.A ND2 TYR 233.A O no hydrogen 3.543 N/A ILE 19.A N ILE 15.A O no hydrogen 3.001 N/A ALA 20.A N GLY 16.A O no hydrogen 3.318 N/A TYR 21.A N GLY 17.A O no hydrogen 3.028 N/A ILE 22.A N ASN 18.A O no hydrogen 2.952 N/A VAL 23.A N ILE 19.A O no hydrogen 2.785 N/A GLY 24.A N ALA 20.A O no hydrogen 2.817 N/A LYS 25.A N TYR 21.A O no hydrogen 2.857 N/A ASP 26.A N ILE 22.A O no hydrogen 2.853 N/A ASN 27.A N GLY 24.A O no hydrogen 3.075 N/A LEU 28.A N VAL 23.A O no hydrogen 3.131 N/A ASP 30.A N ARG 5.A O no hydrogen 2.795 N/A VAL 31.A N LYS 60.A O no hydrogen 2.878 N/A VAL 32.A N ILE 7.A O no hydrogen 2.913 N/A LEU 33.A N ILE 62.A O no hydrogen 2.809 N/A PHE 34.A N VAL 9.A O no hydrogen 2.841 N/A ASP 35.A N THR 64.A O no hydrogen 3.069 N/A ALA 37.A N ASP 35.A OD1 no hydrogen 3.036 N/A GLN 42.A N GLN 42.A OE1 no hydrogen 2.872 N/A GLY 43.A N GLY 39.A O no hydrogen 2.809 N/A LYS 44.A N ILE 40.A O no hydrogen 3.003 N/A LYS 44.A NZ SER 12.A O no hydrogen 2.769 N/A ALA 45.A N PRO 41.A O no hydrogen 2.893 N/A LEU 46.A N GLN 42.A O no hydrogen 3.013 N/A ASP 47.A N GLY 43.A O no hydrogen 3.097 N/A ILE 48.A N LYS 44.A O no hydrogen 2.842 N/A THR 49.A N ALA 45.A O no hydrogen 2.776 N/A THR 49.A OG1 ALA 45.A O no hydrogen 2.581 N/A HIS 50.A N LEU 46.A O no hydrogen 3.117 N/A SER 51.A N ILE 48.A O no hydrogen 3.053 N/A SER 51.A OG ILE 48.A O no hydrogen 2.599 N/A MET 52.A N THR 49.A O no hydrogen 3.149 N/A SER 57.A N MET 52.A O no hydrogen 2.956 N/A SER 57.A OG GLY 24.A O no hydrogen 2.660 N/A SER 59.A N SER 57.A OG no hydrogen 3.110 N/A SER 59.A OG ASN 27.A OD1 no hydrogen 2.997 N/A SER 59.A OG ALA 29.A O no hydrogen 2.771 N/A LYS 60.A N ASP 30.A OD1 no hydrogen 3.013 N/A ILE 62.A N VAL 31.A O no hydrogen 3.151 N/A THR 64.A N LEU 33.A O no hydrogen 2.919 N/A THR 64.A OG1 ASP 69.A OD2 no hydrogen 2.561 N/A ASP 66.A N THR 64.A OG1 no hydrogen 2.977 N/A ALA 68.A N ASP 66.A OD2 no hydrogen 3.016 N/A ASP 69.A N ASP 66.A O no hydrogen 2.996 N/A ILE 70.A N TYR 67.A O no hydrogen 3.113 N/A SER 71.A N ALA 68.A O no hydrogen 3.134 N/A GLY 72.A N TYR 111.A O no hydrogen 3.417 N/A SER 73.A N ILE 70.A O no hydrogen 3.246 N/A SER 73.A OG ILE 70.A O no hydrogen 2.622 N/A ASP 74.A N LYS 6.A O no hydrogen 2.921 N/A VAL 75.A N LYS 6.A O no hydrogen 3.368 N/A VAL 76.A N PHE 116.A O no hydrogen 2.877 N/A ILE 77.A N ALA 8.A O no hydrogen 2.783 N/A ILE 78.A N ILE 118.A O no hydrogen 2.912 N/A THR 79.A N ILE 10.A O no hydrogen 2.882 N/A THR 79.A OG1 ILE 10.A O no hydrogen 3.295 N/A THR 79.A OG1 GLY 11.A O no hydrogen 2.691 N/A SER 81.A OG ILE 82.A O no hydrogen 3.015 N/A SER 81.A OG ASN 97.A OD1 no hydrogen 3.379 N/A ILE 82.A N ASN 97.A OD1 no hydrogen 2.828 N/A ARG 85.A NE PRO 86.A O no hydrogen 2.768 N/A ARG 85.A NH1 ASP 225.A OD1 no hydrogen 3.371 N/A ARG 85.A NH2 PRO 86.A O no hydrogen 2.762 N/A LYS 87.A N GLU 92.A OE2 no hydrogen 2.688 N/A ASP 88.A N GLU 92.A OE1 no hydrogen 2.948 N/A ASP 89.A N GLU 92.A OE1 no hydrogen 2.926 N/A SER 91.A N ASP 89.A OD1 no hydrogen 3.015 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 3.527 N/A GLU 92.A N ASP 89.A O no hydrogen 3.122 N/A LEU 93.A N ARG 90.A O no hydrogen 3.327 N/A LEU 94.A N SER 91.A O no hydrogen 2.973 N/A ASN 97.A N LEU 93.A O no hydrogen 3.011 N/A ASN 97.A ND2 SER 81.A OG no hydrogen 3.150 N/A ASN 97.A ND2 ASN 122.A O no hydrogen 2.754 N/A ALA 98.A N LEU 94.A O no hydrogen 3.114 N/A ILE 100.A N GLY 96.A O no hydrogen 3.193 N/A LEU 101.A N ASN 97.A O no hydrogen 3.003 N/A ASP 102.A N ALA 98.A O no hydrogen 3.152 N/A SER 103.A N ARG 99.A O no hydrogen 3.382 N/A VAL 104.A N ILE 100.A O no hydrogen 2.983 N/A ALA 105.A N LEU 101.A O no hydrogen 2.753 N/A GLU 106.A N ASP 102.A O no hydrogen 3.313 N/A GLU 106.A N SER 103.A O no hydrogen 3.018 N/A GLY 107.A N SER 103.A O no hydrogen 3.225 N/A VAL 108.A N VAL 104.A O no hydrogen 3.003 N/A LYS 109.A N ALA 105.A O no hydrogen 2.927 N/A LYS 110.A N GLU 106.A O no hydrogen 3.085 N/A LYS 110.A NZ TYR 111.A OH no hydrogen 3.359 N/A TYR 111.A N GLY 107.A O no hydrogen 2.844 N/A CYS 112.A N VAL 108.A O no hydrogen 2.865 N/A CYS 112.A SG ILE 70.A O no hydrogen 3.563 N/A ALA 115.A N CYS 112.A O no hydrogen 3.217 N/A PHE 116.A N ASP 74.A O no hydrogen 2.926 N/A VAL 117.A N LYS 141.A O no hydrogen 2.820 N/A ILE 118.A N VAL 76.A O no hydrogen 2.780 N/A CYS 119.A N CYS 143.A O no hydrogen 2.819 N/A CYS 119.A SG THR 121.A O no hydrogen 3.950 N/A ILE 120.A N ILE 78.A O no hydrogen 2.819 N/A THR 121.A N ILE 78.A O no hydrogen 3.225 N/A THR 121.A OG1 ILE 78.A O no hydrogen 3.354 N/A THR 121.A OG1 ALA 80.A O no hydrogen 2.780 N/A LEU 124.A N ASN 122.A OD1 no hydrogen 2.895 N/A MET 127.A N PRO 123.A O no hydrogen 2.962 N/A VAL 128.A N LEU 124.A O no hydrogen 2.925 N/A SER 129.A N ASP 125.A O no hydrogen 3.218 N/A HIS 130.A N VAL 126.A O no hydrogen 2.876 N/A HIS 130.A NE2 ASP 102.A OD2 no hydrogen 2.819 N/A PHE 131.A N MET 127.A O no hydrogen 2.940 N/A GLN 132.A N VAL 128.A O no hydrogen 3.030 N/A GLN 132.A NE2 LEU 137.A O no hydrogen 2.766 N/A LYS 133.A N SER 129.A O no hydrogen 3.042 N/A VAL 134.A N HIS 130.A O no hydrogen 3.027 N/A SER 135.A N PHE 131.A O no hydrogen 2.825 N/A SER 135.A OG PHE 131.A O no hydrogen 2.736 N/A SER 135.A OG GLN 132.A O no hydrogen 3.510 N/A GLY 136.A N GLN 132.A O no hydrogen 2.928 N/A LEU 137.A N SER 135.A OG no hydrogen 3.187 N/A ASN 140.A ND2 ASN 281.A O no hydrogen 2.877 N/A LYS 141.A N PRO 138.A O no hydrogen 2.962 N/A LYS 141.A NZ ASN 114B.A O no hydrogen 2.855 N/A VAL 142.A N HIS 139.A O no hydrogen 3.269 N/A CYS 143.A N VAL 117.A O no hydrogen 3.037 N/A CYS 143.A SG VAL 117.A O no hydrogen 4.031 N/A GLY 144.A N SER 258.A O no hydrogen 2.896 N/A MET 145.A N CYS 119.A O no hydrogen 2.746 N/A ASP 150.A N ALA 146.A O no hydrogen 2.903 N/A SER 151.A N GLY 147.A O no hydrogen 2.722 N/A SER 151.A OG GLY 147.A O no hydrogen 2.702 N/A SER 152.A N VAL 148.A O no hydrogen 3.007 N/A SER 152.A OG VAL 148.A O no hydrogen 2.532 N/A ARG 153.A N LEU 149.A O no hydrogen 3.050 N/A PHE 154.A N ASP 150.A O no hydrogen 2.928 N/A ARG 155.A N SER 151.A O no hydrogen 2.680 N/A ARG 155.A NE VAL 169.A O no hydrogen 2.682 N/A ARG 155.A NH2 ALA 166.A O no hydrogen 3.413 N/A ARG 155.A NH2 VAL 169.A O no hydrogen 3.167 N/A THR 156.A N SER 152.A O no hydrogen 2.861 N/A THR 156.A OG1 SER 152.A O no hydrogen 2.709 N/A PHE 157.A N ARG 153.A O no hydrogen 2.965 N/A ILE 158.A N PHE 154.A O no hydrogen 3.202 N/A ALA 159.A N ARG 155.A O no hydrogen 2.845 N/A GLN 160.A N THR 156.A O no hydrogen 2.771 N/A HIS 161.A N PHE 157.A O no hydrogen 3.155 N/A HIS 161.A N ILE 158.A O no hydrogen 3.181 N/A HIS 161.A NE2 LEU 203.A O no hydrogen 2.840 N/A PHE 162.A N ILE 158.A O no hydrogen 3.204 N/A VAL 164.A N ALA 159.A O no hydrogen 3.059 N/A SER 167.A N ASN 165.A OD1 no hydrogen 3.016 N/A SER 167.A OG ASN 165.A OD1 no hydrogen 3.545 N/A ASP 168.A N ASN 165.A O no hydrogen 2.908 N/A VAL 169.A N ALA 166.A O no hydrogen 3.132 N/A SER 170.A N SER 189.A O no hydrogen 2.851 N/A VAL 173.A N SER 151.A OG no hydrogen 2.865 N/A ILE 174.A N VAL 182.A O no hydrogen 3.000 N/A GLY 175.A N GLY 273.A O no hydrogen 2.757 N/A GLY 176.A N SER 302.A OG no hydrogen 2.861 N/A HIS 177.A N ASP 125.A OD2 no hydrogen 2.580 N/A HIS 177.A ND1 ASP 150.A OD2 no hydrogen 2.731 N/A GLY 178.A N GLY 176.A O no hydrogen 2.848 N/A GLY 180.A N GLU 305.A OE1 no hydrogen 3.212 N/A MET 181.A N GLY 178.A O no hydrogen 3.198 N/A VAL 182.A N ILE 174.A O no hydrogen 2.879 N/A ALA 184.A N ASN 172.A O no hydrogen 3.113 N/A SER 186.A N GLU 295.A OE2 no hydrogen 3.051 N/A SER 186.A OG ASP 290.A O no hydrogen 3.415 N/A SER 186.A OG GLU 295.A OE1 no hydrogen 2.666 N/A SER 186.A OG GLU 295.A OE2 no hydrogen 3.232 N/A SER 187.A N ALA 184.A O no hydrogen 3.352 N/A SER 187.A OG ALA 184.A O no hydrogen 3.398 N/A VAL 188.A N THR 185.A O no hydrogen 3.078 N/A SER 189.A N SER 170.A O no hydrogen 2.945 N/A VAL 190.A N VAL 193A.A O no hydrogen 2.838 N/A SER 197.A N PRO 194B.A O no hydrogen 3.230 N/A ILE 199.A N LEU 195.A O no hydrogen 2.976 N/A LYS 200.A N SER 196.A O no hydrogen 3.150 N/A LEU 203.A N PHE 198.A O no hydrogen 2.870 N/A ILE 204.A N PHE 198.A O no hydrogen 3.359 N/A THR 205.A N GLN 208.A OE1 no hydrogen 2.811 N/A GLN 206.A NE2 ASP 210.A OD1 no hydrogen 2.707 N/A GLN 208.A N THR 205.A OG1 no hydrogen 3.022 N/A ILE 209.A N THR 205.A O no hydrogen 2.957 N/A ASP 210.A N GLN 206.A O no hydrogen 2.851 N/A GLU 211.A N GLU 207.A O no hydrogen 2.780 N/A ILE 212.A N GLN 208.A O no hydrogen 3.009 N/A VAL 213.A N ILE 209.A O no hydrogen 2.940 N/A CYS 214.A N ASP 210.A O no hydrogen 2.984 N/A HIS 215.A N GLU 211.A O no hydrogen 2.796 N/A HIS 215.A NE2 GLU 222.A OE2 no hydrogen 2.645 N/A THR 216.A N ILE 212.A O no hydrogen 2.943 N/A THR 216.A OG1 ILE 212.A O no hydrogen 2.738 N/A ARG 217.A N VAL 213.A O no hydrogen 3.123 N/A ILE 218.A N CYS 214.A O no hydrogen 2.976 N/A ALA 219.A N THR 216.A O no hydrogen 3.491 N/A LYS 221.A N ILE 218.A O no hydrogen 3.088 N/A LYS 221.A NZ ASP 88.A O no hydrogen 3.433 N/A GLU 222.A N ILE 218.A O no hydrogen 3.469 N/A VAL 223.A N ALA 219.A O no hydrogen 3.208 N/A ALA 224.A N TRP 220.A O no hydrogen 3.001 N/A ASP 225.A N LYS 221.A O no hydrogen 2.810 N/A ASN 226.A N VAL 223.A O no hydrogen 3.109 N/A ASN 226.A ND2 GLU 222.A O no hydrogen 2.767 N/A LEU 227.A N VAL 223.A O no hydrogen 2.955 N/A ALA 237.A N TYR 233.A O no hydrogen 3.318 N/A ALA 238.A N PHE 234.A O no hydrogen 3.202 N/A ALA 239.A N ALA 235.A O no hydrogen 2.879 N/A ALA 240.A N PRO 236.A O no hydrogen 3.218 N/A VAL 241.A N ALA 237.A O no hydrogen 3.110 N/A LYS 242.A N ALA 238.A O no hydrogen 3.023 N/A LYS 242.A NZ GLU 245.A OE1 no hydrogen 3.081 N/A MET 243.A N ALA 239.A O no hydrogen 3.134 N/A ALA 244.A N ALA 240.A O no hydrogen 2.919 N/A GLU 245.A N VAL 241.A O no hydrogen 2.817 N/A ALA 246.A N LYS 242.A O no hydrogen 3.050 N/A TYR 247.A N MET 243.A O no hydrogen 3.251 N/A LEU 248.A N ALA 244.A O no hydrogen 2.928 N/A LYS 249.A N GLU 245.A O no hydrogen 2.848 N/A ASP 250.A N TYR 247.A O no hydrogen 3.162 N/A LYS 251.A N ALA 246.A O no hydrogen 2.946 N/A LYS 251.A NZ GLU 245.A OE1 no hydrogen 2.817 N/A LYS 252.A NZ ASP 250.A OD1 no hydrogen 2.907 N/A LYS 252.A NZ GLU 284.A OE1 no hydrogen 3.190 N/A LYS 252.A NZ GLU 284.A OE2 no hydrogen 2.751 N/A ALA 253.A N ILE 278.A O no hydrogen 3.152 N/A VAL 255.A N THR 276.A O no hydrogen 2.745 N/A CYS 257.A N VAL 274.A O no hydrogen 2.983 N/A CYS 257.A SG VAL 255.A O no hydrogen 3.965 N/A CYS 257.A SG THR 276.A OG1 no hydrogen 3.651 N/A SER 258.A N GLY 144.A O no hydrogen 2.908 N/A SER 258.A OG ASP 125.A OD1 no hydrogen 2.813 N/A ALA 259.A N MET 272.A O no hydrogen 3.149 N/A CYS 261.A N ILE 270.A O no hydrogen 2.826 N/A CYS 261.A SG HIS 264.A O no hydrogen 3.395 N/A TYR 265.A N GLU 288.A OE2 no hydrogen 3.042 N/A TYR 265.A OH LEU 287.A O no hydrogen 2.652 N/A VAL 267.A N HIS 264.A O no hydrogen 3.162 N/A ILE 270.A N CYS 261.A O no hydrogen 3.045 N/A TYR 271.A OH HIS 139.A O no hydrogen 3.193 N/A TYR 271.A OH VAL 142.A O no hydrogen 3.018 N/A MET 272.A N ALA 259.A O no hydrogen 3.292 N/A GLY 273.A N GLY 175.A O no hydrogen 2.961 N/A VAL 274.A N CYS 257.A O no hydrogen 3.019 N/A THR 276.A N VAL 255.A O no hydrogen 2.882 N/A THR 276.A OG1 VAL 255.A O no hydrogen 2.591 N/A ILE 277.A N ASP 285.A O no hydrogen 2.937 N/A ILE 278.A N ALA 253.A O no hydrogen 2.970 N/A GLY 279.A N GLY 282.A O no hydrogen 3.082 N/A LYS 280.A N ASP 250.A OD1 no hydrogen 2.757 N/A ASN 281.A N GLU 284.A OE1 no hydrogen 2.933 N/A GLY 282.A N GLY 279.A O no hydrogen 3.013 N/A VAL 283.A N ASN 140.A O no hydrogen 2.854 N/A GLU 284.A N ILE 277.A O no hydrogen 2.785 N/A ILE 286.A N ASP 285.A OD1 no hydrogen 2.675 N/A LEU 287.A N PRO 275.A O no hydrogen 2.886 N/A LEU 289.A N TYR 265.A OH no hydrogen 3.037 N/A THR 292.A N GLU 295.A OE1 no hydrogen 2.932 N/A GLU 295.A N THR 292.A OG1 no hydrogen 3.190 N/A GLN 296.A N THR 292.A O no hydrogen 2.759 N/A GLN 296.A NE2 LEU 291.A O no hydrogen 3.086 N/A LYS 297.A N PRO 293.A O no hydrogen 2.999 N/A LEU 298.A N LEU 294.A O no hydrogen 2.925 N/A LEU 299.A N GLU 295.A O no hydrogen 2.885 N/A GLY 300.A N GLN 296.A O no hydrogen 3.065 N/A GLU 301.A N LYS 297.A O no hydrogen 2.908 N/A SER 302.A N LEU 298.A O no hydrogen 2.998 N/A SER 302.A OG GLY 180.A O no hydrogen 3.337 N/A ILE 303.A N LEU 299.A O no hydrogen 2.805 N/A ASN 304.A N GLY 300.A O no hydrogen 3.017 N/A GLU 305.A N GLU 301.A O no hydrogen 3.020 N/A VAL 306.A N SER 302.A O no hydrogen 2.980 N/A ASN 307.A N ILE 303.A O no hydrogen 2.990 N/A THR 308.A N ASN 304.A O no hydrogen 2.902 N/A THR 308.A OG1 ASN 304.A O no hydrogen 2.639 N/A ILE 309.A N GLU 305.A O no hydrogen 3.220 N/A SER 310.A N VAL 306.A O no hydrogen 2.894 N/A LYS 311.A N ASN 307.A O no hydrogen 2.833 N/A VAL 312.A N THR 308.A O no hydrogen 3.026 N/A LEU 313.A N ILE 309.A O no hydrogen 3.172 N/A ASP 314.A N SER 310.A O no hydrogen 3.234 N/A ASN 315.A N LYS 311.A O no hydrogen 3.167 N/A ASN 315.A N VAL 312.A O no hydrogen 3.020 N/A ALA 316.A N LEU 313.A O no hydrogen 3.215 N/A PHE 55A.A N SER 51.A O no hydrogen 3.017 N/A GLY 191A.A N ASP 168.A O no hydrogen 2.946 N/A VAL 193A.A N VAL 190.A O no hydrogen 3.162 N/A GLN 201A.A N SER 197.A O no hydrogen 2.930 N/A LYS 228A.A N ALA 224.A O no hydrogen 2.886 N/A GLY 56B.A N VAL 53.A O no hydrogen 3.192 N/A GLY 202B.A N ILE 199.A O no hydrogen 3.016 N/A THR 229B.A N LEU 227.A O no hydrogen 2.932 N/A