Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r40_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N GLN 8.A OE1 no hydrogen 3.163 N/A LYS 9.A N THR 5.A O no hydrogen 3.135 N/A SER 10.A N ALA 6.A O no hydrogen 2.953 N/A SER 10.A OG ALA 6.A O no hydrogen 3.191 N/A LEU 11.A N ASN 7.A O no hydrogen 2.861 N/A ILE 12.A N GLN 8.A O no hydrogen 2.827 N/A ALA 13.A N LYS 9.A O no hydrogen 2.833 N/A ARG 14.A N SER 10.A O no hydrogen 3.125 N/A ARG 14.A NE GLY 60.A O no hydrogen 2.818 N/A ARG 14.A NH2 GLY 60.A O no hydrogen 2.857 N/A LEU 15.A N LEU 11.A O no hydrogen 3.089 N/A VAL 16.A N ILE 12.A O no hydrogen 2.960 N/A TRP 17.A N ALA 13.A O no hydrogen 2.953 N/A TYR 18.A N ARG 14.A O no hydrogen 2.908 N/A GLN 19.A N LEU 15.A O no hydrogen 2.916 N/A GLN 19.A NE2 ASN 138.A O no hydrogen 2.930 N/A GLU 20.A N VAL 16.A O no hydrogen 3.348 N/A GLY 21.A N TRP 17.A O no hydrogen 3.142 N/A TYR 22.A N GLN 19.A O no hydrogen 3.289 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.484 N/A ASP 29.A N SER 26.A OG no hydrogen 3.205 N/A LEU 30.A N SER 26.A O no hydrogen 2.952 N/A LYS 31.A N GLU 27.A O no hydrogen 2.927 N/A ARG 32.A N GLU 28.A O no hydrogen 2.871 N/A ARG 32.A NH2 ASP 29.A OD1 no hydrogen 2.438 N/A VAL 33.A N ASP 29.A O no hydrogen 3.103 N/A THR 34.A N LEU 30.A O no hydrogen 3.029 N/A THR 34.A OG1 LEU 30.A O no hydrogen 3.172 N/A THR 34.A OG1 LYS 31.A O no hydrogen 3.566 N/A GLN 35.A N LYS 31.A O no hydrogen 2.966 N/A THR 36.A OG1 THR 34.A O no hydrogen 2.830 N/A ARG 41.A N ASP 37.A O no hydrogen 2.873 N/A GLN 42.A N.A MET 38.A O no hydrogen 3.061 N/A GLN 42.A N.B MET 38.A O no hydrogen 3.020 N/A GLN 42.A NE2.A VAL 33.A O no hydrogen 3.529 N/A ILE 43.A N PRO 39.A O no hydrogen 2.940 N/A THR 44.A N PHE 40.A O no hydrogen 3.069 N/A THR 44.A OG1 PHE 40.A O no hydrogen 3.004 N/A THR 44.A OG1 ARG 41.A O no hydrogen 3.253 N/A GLU 45.A N ARG 41.A O no hydrogen 2.821 N/A MET 46.A N GLN 42.A O.A no hydrogen 2.857 N/A MET 46.A N GLN 42.A O.B no hydrogen 2.780 N/A THR 47.A N ILE 43.A O no hydrogen 3.056 N/A THR 47.A OG1 ILE 43.A O no hydrogen 2.627 N/A ILE 48.A N THR 44.A O no hydrogen 3.110 N/A LEU 49.A N GLU 45.A O no hydrogen 3.390 N/A THR 50.A N MET 46.A O no hydrogen 2.845 N/A THR 50.A OG1 MET 46.A O no hydrogen 2.843 N/A VAL 51.A N THR 47.A O no hydrogen 3.029 N/A GLN 52.A N ILE 48.A O no hydrogen 3.026 N/A LEU 53.A N LEU 49.A O no hydrogen 3.123 N/A ILE 54.A N THR 50.A O no hydrogen 3.016 N/A VAL 55.A N VAL 51.A O no hydrogen 3.042 N/A GLU 56.A N GLN 52.A O no hydrogen 3.178 N/A PHE 57.A N LEU 53.A O no hydrogen 2.871 N/A ALA 58.A N ILE 54.A O no hydrogen 2.827 N/A LYS 59.A N VAL 55.A O no hydrogen 3.050 N/A LYS 59.A NZ GLU 56.A OE1 no hydrogen 3.408 N/A LYS 59.A NZ GLU 56.A OE2 no hydrogen 2.611 N/A GLY 60.A N GLU 56.A O no hydrogen 3.341 N/A GLY 60.A N PHE 57.A O no hydrogen 2.972 N/A LEU 61.A N ALA 58.A O no hydrogen 3.126 N/A PHE 64.A N LEU 61.A O no hydrogen 3.282 N/A LYS 66.A N GLY 63.A O no hydrogen 3.291 N/A ILE 67.A N PHE 64.A O no hydrogen 3.105 N/A SER 70.A OG GLU 157.A OE2 no hydrogen 2.685 N/A GLN 72.A N SER 68.A O no hydrogen 2.962 N/A GLN 72.A NE2 PHE 64.A O no hydrogen 2.712 N/A ILE 73.A N GLN 69.A O no hydrogen 3.326 N/A THR 74.A N SER 70.A O no hydrogen 3.206 N/A THR 74.A OG1 SER 70.A O no hydrogen 3.045 N/A LEU 75.A N ASP 71.A O no hydrogen 2.749 N/A LEU 76.A N GLN 72.A O no hydrogen 2.809 N/A LYS 77.A N ILE 73.A O no hydrogen 2.791 N/A LYS 77.A NZ ASP 231.A OD1 no hydrogen 2.778 N/A LYS 77.A NZ ASP 231.A OD2 no hydrogen 3.091 N/A ALA 78.A N THR 74.A O no hydrogen 3.230 N/A CYS 79.A N LEU 75.A O no hydrogen 3.011 N/A CYS 79.A SG LEU 75.A O no hydrogen 3.135 N/A CYS 79.A SG LEU 76.A O no hydrogen 4.038 N/A SER 80.A N LEU 76.A O no hydrogen 3.122 N/A SER 80.A OG LEU 76.A O no hydrogen 3.057 N/A VAL 83.A N CYS 79.A O no hydrogen 2.988 N/A MET 84.A N SER 80.A O no hydrogen 3.247 N/A MET 85.A N GLU 82.A O no hydrogen 3.228 N/A LEU 86.A N VAL 83.A O no hydrogen 3.140 N/A ARG 87.A N VAL 83.A O no hydrogen 3.226 N/A ARG 87.A NH1 TYR 22.A O no hydrogen 3.432 N/A ARG 87.A NH2 TYR 22.A O no hydrogen 2.556 N/A VAL 88.A N MET 84.A O no hydrogen 3.178 N/A ALA 89.A N MET 85.A O no hydrogen 3.273 N/A ARG 90.A N LEU 86.A O no hydrogen 3.227 N/A ARG 90.A NH1 ASN 138.A OD1 no hydrogen 2.774 N/A ARG 90.A NH2 ASN 138.A OD1 no hydrogen 2.555 N/A ARG 91.A N VAL 88.A O no hydrogen 2.938 N/A TYR 92.A OH ASP 97.A OD1 no hydrogen 2.851 N/A ASP 93.A N SER 98.A O no hydrogen 2.815 N/A THR 96.A N ASP 93.A OD2 no hydrogen 3.070 N/A THR 96.A OG1 ASP 93.A OD2 no hydrogen 2.801 N/A THR 96.A OG1 SER 98.A OG no hydrogen 2.591 N/A ASP 97.A N ALA 94.A O no hydrogen 3.125 N/A SER 98.A N ASP 93.A O no hydrogen 3.257 N/A SER 98.A OG THR 96.A OG1 no hydrogen 2.591 N/A VAL 99.A N TYR 107.A O no hydrogen 2.954 N/A LEU 100.A N ARG 91.A O no hydrogen 2.813 N/A PHE 101.A N GLN 105.A O no hydrogen 3.050 N/A ASN 104.A N PHE 101.A O no hydrogen 2.706 N/A GLN 105.A N ASN 103.A OD1 no hydrogen 3.354 N/A TYR 107.A N VAL 99.A O no hydrogen 2.766 N/A ARG 109.A NE GLU 122.A OE1 no hydrogen 2.851 N/A ARG 109.A NH1 ASP 97.A OD2 no hydrogen 3.393 N/A ARG 109.A NH2 ASP 97.A OD2 no hydrogen 3.184 N/A TYR 112.A N THR 108.A O no hydrogen 3.451 N/A ARG 113.A N ARG 109.A O no hydrogen 3.033 N/A LYS 114.A N ASP 110.A O no hydrogen 3.034 N/A ALA 115.A N ASN 111.A O no hydrogen 3.197 N/A GLY 116.A N ARG 113.A O no hydrogen 2.637 N/A MET 117.A N TYR 112.A O no hydrogen 2.643 N/A VAL 120.A N MET 117.A O no hydrogen 3.228 N/A LEU 124.A N VAL 120.A O no hydrogen 3.415 N/A LEU 125.A N ILE 121.A O no hydrogen 2.984 N/A HIS 126.A N GLU 122.A O no hydrogen 3.118 N/A PHE 127.A N ASP 123.A O no hydrogen 3.004 N/A CYS 128.A N LEU 124.A O no hydrogen 2.954 N/A CYS 128.A SG LEU 124.A O no hydrogen 3.275 N/A ARG 129.A N LEU 125.A O no hydrogen 2.830 N/A CYS 130.A N HIS 126.A O no hydrogen 2.956 N/A CYS 130.A SG HIS 126.A O no hydrogen 3.372 N/A MET 131.A N PHE 127.A O no hydrogen 2.703 N/A TYR 132.A N CYS 128.A O no hydrogen 2.777 N/A HIS 140.A N ASP 137.A OD1 no hydrogen 2.861 N/A HIS 140.A NE2 GLN 180.A OE1 no hydrogen 2.814 N/A TYR 141.A N ASP 137.A O no hydrogen 3.025 N/A TYR 141.A OH GLU 23.A OE2 no hydrogen 2.464 N/A ALA 142.A N ASN 138.A O no hydrogen 2.928 N/A LEU 143.A N VAL 139.A O no hydrogen 2.828 N/A LEU 144.A N HIS 140.A O no hydrogen 2.796 N/A THR 145.A N TYR 141.A O no hydrogen 3.009 N/A THR 145.A OG1 TYR 141.A O no hydrogen 2.890 N/A ALA 146.A N ALA 142.A O no hydrogen 3.243 N/A ILE 147.A N LEU 143.A O no hydrogen 2.907 N/A VAL 148.A N LEU 144.A O no hydrogen 2.857 N/A ILE 149.A N THR 145.A O no hydrogen 3.069 N/A PHE 150.A N ALA 146.A O no hydrogen 3.025 N/A SER 151.A N VAL 148.A O no hydrogen 3.182 N/A SER 151.A OG ILE 147.A O no hydrogen 2.719 N/A SER 151.A OG VAL 148.A O no hydrogen 2.972 N/A ARG 153.A NH1 GLU 82.A OE1 no hydrogen 3.411 N/A ARG 153.A NH1 GLU 82.A OE2 no hydrogen 2.742 N/A ARG 153.A NH2 GLU 82.A OE1 no hydrogen 2.898 N/A ARG 153.A NH2 VAL 148.A O no hydrogen 3.180 N/A GLU 157.A N ASP 71.A OD1 no hydrogen 2.969 N/A GLU 157.A N ASP 71.A OD2 no hydrogen 3.128 N/A GLN 158.A N ASP 71.A OD2 no hydrogen 3.074 N/A VAL 162.A N GLN 158.A O no hydrogen 3.417 N/A GLU 163.A N PRO 159.A O no hydrogen 3.001 N/A GLU 164.A N LEU 160.A O no hydrogen 2.980 N/A ILE 165.A N LEU 161.A O no hydrogen 2.955 N/A GLN 166.A N VAL 162.A O no hydrogen 2.825 N/A GLN 166.A NE2 ILE 147.A O no hydrogen 2.960 N/A ARG 167.A N GLU 163.A O no hydrogen 2.828 N/A TYR 169.A OH PRO 62.A O no hydrogen 2.661 N/A LEU 170.A N GLN 166.A O no hydrogen 2.979 N/A ASN 171.A N ARG 167.A O no hydrogen 3.146 N/A THR 172.A N TYR 168.A O no hydrogen 3.139 N/A THR 172.A OG1 TYR 168.A O no hydrogen 2.659 N/A LEU 173.A N TYR 169.A O no hydrogen 3.006 N/A ARG 174.A N LEU 170.A O no hydrogen 2.851 N/A ARG 174.A NH1 ASN 171.A OD1 no hydrogen 2.487 N/A VAL 175.A N ASN 171.A O no hydrogen 2.761 N/A TYR 176.A N THR 172.A O no hydrogen 2.846 N/A ILE 177.A N LEU 173.A O no hydrogen 2.988 N/A LEU 178.A N ARG 174.A O no hydrogen 3.115 N/A ASN 179.A N VAL 175.A O no hydrogen 3.103 N/A ASN 179.A ND2 PRO 2.A O no hydrogen 2.843 N/A ASN 179.A ND2 VAL 175.A O no hydrogen 2.785 N/A GLN 180.A N ILE 177.A O no hydrogen 3.001 N/A GLN 180.A NE2 ASP 137.A OD2 no hydrogen 2.990 N/A ASN 181.A N ILE 177.A O no hydrogen 3.258 N/A ASN 181.A ND2 ILE 177.A O no hydrogen 2.658 N/A ALA 183.A N LEU 178.A O no hydrogen 2.983 N/A SER 184.A OG ASN 181.A O no hydrogen 3.455 N/A CYS 187.A N SER 184.A O no hydrogen 3.141 N/A CYS 187.A SG ILE 177.A O no hydrogen 3.622 N/A ALA 188.A N PRO 185.A O no hydrogen 3.220 N/A ILE 190.A N ARG 186.A O no hydrogen 3.031 N/A PHE 191.A N CYS 187.A O no hydrogen 2.998 N/A GLY 192.A N ALA 188.A O no hydrogen 2.811 N/A LYS 193.A N VAL 189.A O no hydrogen 2.875 N/A ILE 194.A N ILE 190.A O no hydrogen 3.201 N/A LEU 195.A N PHE 191.A O no hydrogen 3.041 N/A GLY 196.A N GLY 192.A O no hydrogen 2.880 N/A ILE 197.A N ILE 194.A O no hydrogen 3.124 N/A LEU 198.A N LEU 195.A O no hydrogen 3.144 N/A THR 199.A N GLY 196.A O no hydrogen 3.261 N/A ILE 201.A N ILE 197.A O no hydrogen 3.068 N/A ARG 202.A N THR 199.A O no hydrogen 3.300 N/A LEU 204.A N GLU 200.A O no hydrogen 3.405 N/A GLY 205.A N ILE 201.A O no hydrogen 2.928 N/A MET 206.A N ARG 202.A O no hydrogen 3.082 N/A GLN 207.A N THR 203.A O no hydrogen 2.908 N/A GLN 207.A NE2 ASP 123.A OD2 no hydrogen 2.742 N/A ASN 208.A N LEU 204.A O no hydrogen 2.858 N/A SER 209.A N GLY 205.A O no hydrogen 3.105 N/A ASN 210.A N MET 206.A O no hydrogen 3.000 N/A ASN 210.A ND2 TYR 119.A OH no hydrogen 3.399 N/A MET 211.A N GLN 207.A O no hydrogen 2.923 N/A CYS 212.A N ASN 208.A O no hydrogen 3.132 N/A CYS 212.A SG ASN 208.A O no hydrogen 3.313 N/A ILE 213.A N SER 209.A O no hydrogen 3.023 N/A SER 214.A N ASN 210.A O no hydrogen 2.863 N/A LEU 215.A N MET 211.A O no hydrogen 2.877 N/A LYS 216.A N CYS 212.A O no hydrogen 3.090 N/A LEU 217.A N ILE 213.A O no hydrogen 2.969 N/A LYS 218.A N SER 214.A O no hydrogen 2.815 N/A ASN 219.A N LYS 216.A O no hydrogen 2.980 N/A ASN 219.A ND2 LYS 216.A O no hydrogen 3.471 N/A ARG 220.A N LEU 215.A O no hydrogen 2.778 N/A ARG 220.A NE ASP 37.A OD2 no hydrogen 3.017 N/A ARG 220.A NH2 ASP 37.A OD2 no hydrogen 2.687 N/A LEU 222.A N ARG 220.A O no hydrogen 2.898 N/A GLU 227.A N PRO 223.A O no hydrogen 3.148 N/A GLU 228.A N PRO 224.A O no hydrogen 2.872 N/A ILE 229.A N PHE 225.A O no hydrogen 3.270 N/A TRP 230.A N LEU 226.A O no hydrogen 3.023 N/A TRP 230.A NE1 SER 80.A OG no hydrogen 3.031 N/A ASP 231.A N GLU 228.A O no hydrogen 3.342 N/A VAL 232.A N GLU 227.A O no hydrogen 3.021 N/A ALA 233.A N ASP 231.A O no hydrogen 2.765 N/A