Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 5.A OE1 no hydrogen 2.807 N/A GLY 3.A N GLY 169.A O no hydrogen 2.632 N/A VAL 6.A N GLU 2.A O no hydrogen 3.190 N/A ALA 7.A N GLY 3.A O no hydrogen 3.090 N/A LEU 8.A N PRO 4.A O no hydrogen 2.910 N/A THR 9.A N GLU 5.A O no hydrogen 2.887 N/A THR 9.A OG1 GLU 5.A O no hydrogen 2.770 N/A ALA 10.A N VAL 6.A O no hydrogen 2.854 N/A ASP 11.A N ALA 7.A O no hydrogen 2.935 N/A ILE 12.A N LEU 8.A O no hydrogen 3.060 N/A LEU 13.A N THR 9.A O no hydrogen 2.776 N/A GLU 14.A N ALA 10.A O no hydrogen 2.686 N/A LYS 15.A N ASP 11.A O no hydrogen 3.033 N/A LYS 15.A NZ LYS 230.A O no hydrogen 2.971 N/A TYR 16.A N ILE 12.A O no hydrogen 3.168 N/A PHE 17.A N LEU 13.A O no hydrogen 2.775 N/A LYS 18.A N GLU 14.A O no hydrogen 2.981 N/A LYS 18.A NZ SER 52.A O no hydrogen 2.723 N/A GLY 19.A N VAL 51.A O no hydrogen 2.522 N/A LYS 20.A N PHE 17.A O no hydrogen 2.954 N/A LEU 22.A N LEU 49.A O no hydrogen 2.814 N/A GLU 23.A N SER 100.A O no hydrogen 2.676 N/A TYR 24.A N SER 100.A O no hydrogen 3.247 N/A ASP 26.A N VAL 98.A O no hydrogen 3.050 N/A ILE 28.A N ARG 96.A O no hydrogen 2.981 N/A SER 29.A OG THR 95.A O no hydrogen 3.180 N/A ARG 31.A N ASN 114.A OD1 no hydrogen 3.190 N/A ARG 31.A NH1 GLY 116.A O no hydrogen 3.007 N/A SER 33.A N GLY 30.A O no hydrogen 2.959 N/A TYR 40.A N PRO 37.A O no hydrogen 3.027 N/A TYR 40.A OH ILE 25.A O no hydrogen 2.643 N/A PHE 43.A N GLY 39.A O no hydrogen 2.901 N/A ILE 44.A N TYR 40.A O no hydrogen 2.815 N/A ALA 45.A N ASP 41.A O no hydrogen 3.035 N/A ASN 46.A N ASP 42.A O no hydrogen 3.192 N/A ASN 46.A N PHE 43.A O no hydrogen 2.991 N/A ASN 46.A ND2 ASP 42.A O no hydrogen 2.738 N/A LEU 47.A N ILE 44.A O no hydrogen 2.992 N/A LEU 49.A N LEU 22.A O no hydrogen 3.181 N/A LYS 50.A N PHE 66.A O no hydrogen 3.032 N/A VAL 51.A N LYS 20.A O no hydrogen 2.980 N/A SER 52.A N GLU 64.A O no hydrogen 2.835 N/A SER 52.A OG GLU 64.A O no hydrogen 3.073 N/A ASN 53.A N GLU 64.A O no hydrogen 3.456 N/A VAL 54.A N GLU 14.A OE1 no hydrogen 2.971 N/A ASP 55.A N TRP 62.A O no hydrogen 2.987 N/A THR 56.A N ASP 55.A OD1 no hydrogen 2.764 N/A LYS 57.A N PHE 60.A O no hydrogen 2.857 N/A LYS 57.A NZ LEU 131.A O no hydrogen 2.955 N/A LYS 57.A NZ LEU 134.A O no hydrogen 3.061 N/A GLY 58.A N ASP 137.A OD2 no hydrogen 2.742 N/A LYS 59.A NZ LEU 170.A O no hydrogen 2.930 N/A PHE 60.A N LYS 57.A O no hydrogen 3.106 N/A LEU 61.A N ASN 79.A O no hydrogen 3.009 N/A TRP 62.A N ASP 55.A O no hydrogen 2.846 N/A TRP 62.A NE1 GLU 64.A OE1 no hydrogen 2.946 N/A PHE 63.A N ILE 77.A O no hydrogen 2.938 N/A GLU 64.A N ASN 53.A O no hydrogen 2.886 N/A LEU 65.A N TRP 75.A O no hydrogen 2.812 N/A PHE 66.A N LYS 50.A O no hydrogen 3.002 N/A ASP 67.A N ASN 73.A O no hydrogen 3.190 N/A ASN 69.A N ASP 67.A OD2 no hydrogen 2.819 N/A ASP 70.A N ASP 67.A O no hydrogen 3.012 N/A SER 72.A N ASP 70.A OD1 no hydrogen 2.906 N/A ASN 73.A N ASP 70.A O no hydrogen 2.861 N/A TRP 75.A N LEU 65.A O no hydrogen 2.903 N/A TYR 76.A N SER 121.A O no hydrogen 2.655 N/A ILE 77.A N PHE 63.A O no hydrogen 3.024 N/A TRP 78.A N LYS 119.A O no hydrogen 2.717 N/A ASN 79.A N LEU 61.A O no hydrogen 2.826 N/A ASN 79.A ND2 THR 117.A O no hydrogen 2.915 N/A THR 80.A N THR 117.A O no hydrogen 3.297 N/A THR 80.A OG1 THR 117.A OG1 no hydrogen 2.443 N/A THR 84.A OG1 ASP 111.A OD1 no hydrogen 2.640 N/A MET 86.A N SER 110.A O no hydrogen 2.816 N/A TRP 87.A NE1 ASN 79.A OD1 no hydrogen 2.847 N/A SER 88.A N TYR 108.A O no hydrogen 2.842 N/A SER 88.A OG PHE 90.A O no hydrogen 2.672 N/A THR 95.A N ALA 92.A O no hydrogen 3.252 N/A THR 95.A OG1 ALA 92.A O no hydrogen 2.465 N/A ARG 96.A N PHE 109.A O no hydrogen 2.816 N/A ARG 96.A NE ASP 111.A O no hydrogen 2.983 N/A ARG 96.A NH1 SER 29.A OG no hydrogen 2.730 N/A ARG 96.A NH2 ASP 111.A O no hydrogen 3.253 N/A ARG 96.A NH2 MET 112.A O no hydrogen 3.173 N/A ALA 97.A N PHE 109.A O no hydrogen 3.320 N/A VAL 98.A N ASP 26.A O no hydrogen 2.850 N/A LEU 99.A N ALA 107.A O no hydrogen 2.824 N/A SER 100.A N TYR 24.A O no hydrogen 2.979 N/A PHE 101.A N LEU 105.A O no hydrogen 2.891 N/A ASP 102.A N THR 21.A O no hydrogen 2.867 N/A ASN 103.A N ASP 102.A OD2 no hydrogen 2.840 N/A LEU 105.A N ASP 102.A O no hydrogen 3.415 N/A ALA 107.A N LEU 99.A O no hydrogen 3.006 N/A TYR 108.A N SER 88.A O no hydrogen 2.896 N/A PHE 109.A N ALA 97.A O no hydrogen 3.052 N/A SER 110.A N MET 86.A O no hydrogen 2.662 N/A SER 110.A OG LYS 93.A O no hydrogen 3.430 N/A ASP 111.A N TYR 94.A O no hydrogen 3.191 N/A ARG 113.A N THR 84.A OG1 no hydrogen 2.955 N/A ASN 114.A N ASP 111.A O no hydrogen 3.133 N/A ASN 114.A N ASP 111.A OD1 no hydrogen 3.084 N/A GLY 116.A N ASP 111.A OD2 no hydrogen 2.747 N/A THR 117.A N THR 80.A O no hydrogen 2.911 N/A THR 117.A N THR 80.A OG1 no hydrogen 3.220 N/A THR 117.A OG1 THR 80.A OG1 no hydrogen 2.443 N/A PHE 118.A N TYR 32.A OH no hydrogen 3.018 N/A LYS 119.A N TRP 78.A O no hydrogen 3.142 N/A PHE 120.A N GLU 38.A O no hydrogen 3.004 N/A SER 121.A N TYR 76.A O no hydrogen 2.978 N/A SER 123.A N SER 121.A OG no hydrogen 3.031 N/A GLU 126.A N SER 123.A OG no hydrogen 2.950 N/A LEU 127.A N SER 123.A O no hydrogen 3.262 N/A LYS 128.A N GLU 124.A O no hydrogen 2.820 N/A ARG 129.A N LYS 125.A O no hydrogen 2.828 N/A ARG 129.A NH1 GLU 126.A OE1 no hydrogen 3.134 N/A LYS 130.A N GLU 126.A O no hydrogen 2.842 N/A LEU 131.A N LEU 127.A O no hydrogen 2.939 N/A ASN 132.A N LYS 128.A O no hydrogen 3.160 N/A ASN 132.A N ARG 129.A O no hydrogen 3.142 N/A GLU 133.A N LYS 130.A O no hydrogen 3.022 N/A LEU 134.A N LEU 131.A O no hydrogen 3.291 N/A GLY 135.A N GLN 163.A O no hydrogen 2.862 N/A PHE 138.A N SER 168.A O no hydrogen 2.965 N/A LEU 139.A N ASP 137.A OD1 no hydrogen 2.825 N/A LYS 140.A N ASP 137.A OD1 no hydrogen 2.884 N/A LYS 140.A NZ ASP 55.A OD1 no hydrogen 3.042 N/A LYS 140.A NZ THR 56.A O no hydrogen 2.675 N/A ASN 141.A N ASP 137.A O no hydrogen 2.716 N/A ASP 143.A N ASN 141.A OD1 no hydrogen 2.926 N/A SER 147.A N ASP 145.A OD1 no hydrogen 3.253 N/A SER 147.A OG ASP 145.A OD1 no hydrogen 2.879 N/A SER 147.A OG ASP 145.A OD2 no hydrogen 2.873 N/A LYS 148.A NZ LYS 165.A O no hydrogen 2.980 N/A ILE 149.A N ILE 146.A O no hydrogen 3.035 N/A LYS 150.A N SER 147.A O no hydrogen 3.076 N/A LYS 151.A N LYS 148.A O no hydrogen 3.165 N/A TYR 152.A N ILE 149.A O no hydrogen 3.392 N/A ILE 156.A N LYS 188.A O no hydrogen 2.715 N/A VAL 157.A N PRO 186.A O no hydrogen 3.326 N/A ALA 158.A N PRO 155.A O no hydrogen 3.080 N/A LEU 159.A N PRO 155.A O no hydrogen 3.296 N/A LEU 160.A N ILE 156.A O no hydrogen 3.011 N/A MET 161.A N VAL 157.A O no hydrogen 3.047 N/A ASP 162.A N ALA 158.A O no hydrogen 3.003 N/A GLN 163.A NE2 MET 161.A O no hydrogen 2.887 N/A GLN 163.A NE2 LEU 170.A O no hydrogen 2.887 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 2.596 N/A LYS 164.A NZ ASN 132.A O no hydrogen 2.817 N/A LYS 165.A N ASP 162.A OD1 no hydrogen 2.744 N/A SER 168.A N PRO 136.A O no hydrogen 2.735 N/A SER 168.A OG GLY 135.A O no hydrogen 2.751 N/A SER 168.A OG PRO 136.A O no hydrogen 3.344 N/A GLY 169.A N GLN 163.A OE1 no hydrogen 2.777 N/A GLY 171.A N GLU 2.A OE1 no hydrogen 2.980 N/A ASN 172.A ND2 THR 277.A O no hydrogen 2.840 N/A TYR 173.A N GLU 2.A OE2 no hydrogen 2.918 N/A TYR 173.A OH GLU 5.A OE1 no hydrogen 3.415 N/A TYR 173.A OH GLU 5.A OE2 no hydrogen 2.914 N/A LEU 174.A N GLU 2.A OE1 no hydrogen 3.067 N/A VAL 175.A N GLY 171.A O no hydrogen 2.978 N/A GLU 177.A N TYR 173.A O no hydrogen 2.948 N/A ILE 178.A N LEU 174.A O no hydrogen 2.784 N/A LEU 179.A N VAL 175.A O no hydrogen 2.971 N/A TYR 180.A N ALA 176.A O no hydrogen 3.138 N/A TYR 180.A OH ASP 257.A OD2 no hydrogen 2.689 N/A ARG 181.A N GLU 177.A O no hydrogen 3.146 N/A ARG 181.A NH1 GLU 244.A OE2 no hydrogen 3.401 N/A ARG 181.A NH2 GLU 244.A OE2 no hydrogen 3.349 N/A ALA 182.A N ILE 178.A O no hydrogen 3.087 N/A LYS 183.A N TYR 180.A O no hydrogen 2.965 N/A ILE 184.A N LEU 179.A O no hydrogen 2.963 N/A ASP 185.A N LYS 286.A O no hydrogen 3.201 N/A HIS 187.A N ASP 185.A OD2 no hydrogen 2.974 N/A HIS 187.A ND1 ASP 185.A OD2 no hydrogen 2.923 N/A LYS 188.A N ASP 185.A O no hydrogen 2.956 N/A LYS 188.A NZ GLU 197.A OE1 no hydrogen 2.769 N/A LYS 188.A NZ GLU 197.A OE2 no hydrogen 2.692 N/A GLY 190.A N GLN 154.A O no hydrogen 2.844 N/A SER 191.A N TYR 152.A O no hydrogen 2.776 N/A ASN 192.A N LEU 189.A O no hydrogen 3.007 N/A LEU 193.A N GLY 190.A O no hydrogen 3.001 N/A THR 194.A N GLU 197.A OE1 no hydrogen 2.555 N/A GLU 197.A N THR 194.A OG1 no hydrogen 3.170 N/A ILE 198.A N THR 194.A O no hydrogen 2.947 N/A GLU 199.A N ASP 195.A O no hydrogen 3.073 N/A ASN 200.A N GLN 196.A O no hydrogen 2.846 N/A LEU 201.A N GLU 197.A O no hydrogen 2.644 N/A TRP 202.A N ILE 198.A O no hydrogen 2.878 N/A TYR 203.A N GLU 199.A O no hydrogen 3.084 N/A TRP 204.A N ASN 200.A O no hydrogen 3.208 N/A ILE 205.A N LEU 201.A O no hydrogen 2.979 N/A ILE 205.A N TRP 202.A O no hydrogen 3.263 N/A LYS 206.A N TRP 202.A O no hydrogen 3.227 N/A TYR 207.A N TYR 203.A O no hydrogen 2.937 N/A TYR 207.A OH GLU 244.A OE1 no hydrogen 2.367 N/A GLU 208.A N TRP 204.A O no hydrogen 2.861 N/A THR 209.A N ILE 205.A O no hydrogen 2.995 N/A THR 209.A OG1 ILE 205.A O no hydrogen 2.766 N/A THR 209.A OG1 LYS 206.A O no hydrogen 3.062 N/A LYS 210.A N LYS 206.A O no hydrogen 3.104 N/A LYS 210.A NZ TYR 236.A O no hydrogen 2.847 N/A LYS 210.A NZ HIS 237.A O no hydrogen 3.377 N/A LEU 211.A N TYR 207.A O no hydrogen 2.948 N/A ALA 212.A N GLU 208.A O no hydrogen 2.793 N/A TYR 213.A N THR 209.A O no hydrogen 2.824 N/A TYR 213.A OH ASP 11.A OD2 no hydrogen 2.473 N/A ASP 214.A N LYS 210.A O no hydrogen 2.977 N/A SER 215.A N ALA 212.A O no hydrogen 3.092 N/A SER 215.A OG LEU 211.A O no hydrogen 2.873 N/A ASN 216.A N GLU 246.A OE1 no hydrogen 3.361 N/A ASN 216.A N GLU 246.A OE2 no hydrogen 2.789 N/A HIS 217.A N GLU 246.A OE2 no hydrogen 3.102 N/A HIS 217.A ND1 HIS 217.A O no hydrogen 2.695 N/A LEU 224.A N MET 221.A O no hydrogen 2.921 N/A GLU 225.A N VAL 222.A O no hydrogen 3.266 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.546 N/A SER 228.A N LEU 224.A O no hydrogen 2.629 N/A SER 228.A OG LEU 224.A O no hydrogen 2.619 N/A SER 229.A OG ASN 226.A O no hydrogen 3.316 N/A LYS 230.A N GLU 227.A O no hydrogen 2.944 N/A LYS 230.A NZ TYR 16.A OH no hydrogen 3.455 N/A ARG 233.A NE TYR 213.A O no hydrogen 2.874 N/A ARG 233.A NH1 SER 228.A O no hydrogen 3.126 N/A ARG 233.A NH1 ILE 231.A O no hydrogen 2.785 N/A ARG 233.A NH1 GLY 232.A O no hydrogen 2.952 N/A ARG 233.A NH2 SER 215.A O no hydrogen 3.051 N/A ARG 233.A NH2 SER 228.A O no hydrogen 2.953 N/A LYS 234.A N TYR 213.A OH no hydrogen 2.924 N/A HIS 237.A ND1 ASP 142.A OD1 no hydrogen 2.892 N/A HIS 237.A NE2 PHE 138.A O no hydrogen 2.723 N/A ILE 240.A N HIS 237.A O no hydrogen 3.356 N/A THR 243.A N TYR 207.A OH no hydrogen 3.388 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.426 N/A PHE 247.A N SER 215.A OG no hydrogen 2.946 N/A LEU 250.A N GLU 177.A OE1 no hydrogen 2.708 N/A LEU 250.A N GLU 177.A OE2 no hydrogen 3.070 N/A VAL 251.A N GLU 177.A OE2 no hydrogen 3.063 N/A TYR 252.A N GLU 177.A OE2 no hydrogen 2.840 N/A LYS 254.A N VAL 251.A O no hydrogen 3.036 N/A ASP 257.A N ASN 261.A O no hydrogen 2.881 N/A ASN 259.A ND2 ASP 257.A OD2 no hydrogen 3.371 N/A GLY 260.A N ASP 257.A OD1 no hydrogen 2.861 N/A VAL 263.A N LYS 255.A O no hydrogen 2.948 N/A ILE 264.A N TRP 280.A O no hydrogen 2.727 N/A ASP 266.A N THR 278.A O no hydrogen 2.847 N/A ASN 274.A N SER 271.A O no hydrogen 2.903 N/A LYS 275.A N GLY 272.A O no hydrogen 2.970 N/A ARG 276.A N ILE 269.A O no hydrogen 3.205 N/A ARG 276.A NH1 LYS 273.A O no hydrogen 3.102 N/A ARG 276.A NH1 LYS 275.A O no hydrogen 2.867 N/A THR 278.A N ASP 266.A O no hydrogen 2.589 N/A TRP 280.A N ILE 264.A O no hydrogen 3.336 N/A ALA 281.A N GLN 285.A OE1 no hydrogen 3.429 N/A ILE 284.A N ALA 281.A O no hydrogen 2.860 N/A GLN 285.A N ALA 281.A O no hydrogen 2.950 N/A GLN 285.A NE2 ILE 184.A O no hydrogen 2.629 N/A LYS 286.A N LYS 183.A O no hydrogen 3.376 N/A LYS 286.A NZ PRO 282.A O no hydrogen 2.935 N/A