Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9ddy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N SER 1.A OG no hydrogen 3.428 N/A LYS 5.A N SER 1.A O no hydrogen 2.674 N/A LYS 5.A NZ GLU 8.A OE1 no hydrogen 3.353 N/A LYS 6.A N ASN 2.A O no hydrogen 2.714 N/A GLN 7.A N ALA 3.A O no hydrogen 3.038 N/A GLU 8.A N MET 4.A O no hydrogen 2.758 N/A LYS 9.A N LYS 5.A O no hydrogen 2.916 N/A LYS 9.A NZ GLU 52.A OE1 no hydrogen 3.269 N/A LYS 9.A NZ GLU 55.A OE1 no hydrogen 3.116 N/A LYS 9.A NZ GLU 55.A OE2 no hydrogen 3.561 N/A LEU 10.A N LYS 6.A O no hydrogen 2.992 N/A ALA 11.A N GLN 7.A O no hydrogen 2.865 N/A LEU 12.A N GLU 8.A O no hydrogen 3.281 N/A LEU 12.A N LYS 9.A O no hydrogen 3.050 N/A VAL 13.A N LYS 9.A O no hydrogen 3.309 N/A GLU 14.A N LEU 10.A O no hydrogen 2.796 N/A SER 15.A N ALA 11.A O no hydrogen 2.837 N/A ALA 16.A N LEU 12.A O no hydrogen 2.976 N/A LEU 17.A N VAL 13.A O no hydrogen 2.875 N/A GLU 18.A N GLU 14.A O no hydrogen 3.144 N/A ASP 19.A N SER 15.A O no hydrogen 3.087 N/A PHE 20.A N ALA 16.A O no hydrogen 3.288 N/A TYR 21.A N LEU 17.A O no hydrogen 3.277 N/A TYR 21.A OH ASP 119.A OD2 no hydrogen 2.836 N/A GLN 24.A NE2 PHE 20.A O no hydrogen 2.499 N/A GLN 25.A N GLY 22.A O no hydrogen 3.176 N/A GLN 25.A NE2 PHE 20.A O no hydrogen 3.103 N/A ARG 31.A N ALA 27.A O no hydrogen 3.063 N/A ARG 31.A NE TYR 21.A O no hydrogen 2.798 N/A GLU 32.A N SER 28.A O no hydrogen 3.058 N/A SER 33.A N SER 29.A O no hydrogen 2.871 N/A SER 33.A OG ASN 100.A OD1 no hydrogen 2.755 N/A VAL 34.A N LEU 30.A O no hydrogen 2.980 N/A LEU 35.A N ARG 31.A O no hydrogen 2.941 N/A TYR 36.A N GLU 32.A O no hydrogen 3.055 N/A TYR 36.A OH LEU 98.A O no hydrogen 2.387 N/A SER 37.A N SER 33.A O no hydrogen 3.436 N/A ILE 38.A N VAL 34.A O no hydrogen 3.027 N/A HIS 39.A N LEU 35.A O no hydrogen 2.673 N/A HIS 39.A NE2 GLU 18.A OE2 no hydrogen 2.755 N/A ALA 40.A N SER 37.A O no hydrogen 3.457 N/A ARG 44.A NH1 GLU 73.A OE2 no hydrogen 3.347 N/A ARG 44.A NH2 GLU 14.A OE1 no hydrogen 2.289 N/A PHE 48.A N ARG 44.A O no hydrogen 2.969 N/A LEU 49.A N ILE 45.A O no hydrogen 2.940 N/A LEU 50.A N ARG 46.A O no hydrogen 3.419 N/A LEU 51.A N PRO 47.A O no hydrogen 3.336 N/A GLU 52.A N PHE 48.A O no hydrogen 2.825 N/A VAL 53.A N LEU 49.A O no hydrogen 2.818 N/A LEU 54.A N LEU 50.A O no hydrogen 3.060 N/A GLU 55.A N LEU 51.A O no hydrogen 3.031 N/A ALA 56.A N GLU 52.A O no hydrogen 2.916 N/A LEU 57.A N VAL 53.A O no hydrogen 3.007 N/A GLN 58.A N GLU 55.A O no hydrogen 2.981 N/A GLN 58.A NE2 ALA 56.A O no hydrogen 3.556 N/A VAL 59.A N LEU 54.A O no hydrogen 3.160 N/A LYS 62.A N HIS 65.A ND1 no hydrogen 3.017 N/A HIS 65.A N LYS 62.A O no hydrogen 2.903 N/A ALA 66.A N LYS 62.A O no hydrogen 3.275 N/A GLN 67.A N PRO 63.A O no hydrogen 2.993 N/A VAL 68.A N ALA 64.A O no hydrogen 3.252 N/A ALA 69.A N HIS 65.A O no hydrogen 3.131 N/A THR 70.A N ALA 66.A O no hydrogen 2.760 N/A THR 70.A OG1 ALA 66.A O no hydrogen 2.583 N/A ALA 71.A N GLN 67.A O no hydrogen 3.057 N/A LEU 72.A N VAL 68.A O no hydrogen 3.253 N/A GLU 73.A N ALA 69.A O no hydrogen 3.146 N/A MET 74.A N THR 70.A O no hydrogen 2.913 N/A ILE 75.A N ALA 71.A O no hydrogen 3.291 N/A HIS 76.A N LEU 72.A O no hydrogen 3.165 N/A THR 77.A N GLU 73.A O no hydrogen 2.754 N/A THR 77.A OG1 GLU 73.A O no hydrogen 2.802 N/A GLY 78.A N MET 74.A O no hydrogen 2.952 N/A SER 79.A N ILE 75.A O no hydrogen 3.019 N/A SER 79.A OG HIS 76.A O no hydrogen 2.514 N/A LEU 80.A N HIS 76.A O no hydrogen 3.193 N/A ILE 81.A N THR 77.A O no hydrogen 3.152 N/A HIS 82.A N GLY 78.A O no hydrogen 3.230 N/A HIS 82.A NE2 ILE 110.A O no hydrogen 3.003 N/A ASP 83.A N SER 79.A O no hydrogen 2.805 N/A ASP 84.A N LEU 80.A O no hydrogen 3.084 N/A LEU 85.A N HIS 82.A O no hydrogen 3.178 N/A MET 88.A N LEU 85.A O no hydrogen 2.908 N/A ASP 89.A N ASP 83.A O no hydrogen 2.938 N/A ASP 90.A N LEU 85.A O no hydrogen 2.924 N/A ASP 91.A N ASP 84.A O no hydrogen 3.238 N/A ARG 94.A N ARG 97.A O no hydrogen 3.097 N/A ARG 94.A NE ASP 84.A OD2 no hydrogen 2.942 N/A ARG 94.A NH2 ASP 84.A OD2 no hydrogen 3.442 N/A ARG 97.A N ARG 94.A O no hydrogen 3.030 N/A THR 99.A N ASP 92.A O no hydrogen 2.980 N/A THR 99.A OG1 ASP 91.A O no hydrogen 3.030 N/A THR 99.A OG1 ASP 92.A O no hydrogen 3.196 N/A ASN 100.A ND2 SER 33.A O no hydrogen 2.911 N/A ASN 100.A ND2 SER 37.A OG no hydrogen 2.667 N/A HIS 101.A NE2 ASP 91.A O no hydrogen 3.148 N/A LYS 103.A N THR 99.A O no hydrogen 3.289 N/A PHE 104.A N ASN 100.A O no hydrogen 2.974 N/A GLY 105.A N HIS 101.A O no hydrogen 3.034 N/A ALA 109.A N GLY 105.A O no hydrogen 3.088 N/A ILE 110.A N GLU 106.A O no hydrogen 2.911 N/A LEU 111.A N ALA 107.A O no hydrogen 3.090 N/A ALA 112.A N MET 108.A O no hydrogen 2.777 N/A GLY 113.A N ALA 109.A O no hydrogen 2.984 N/A ASP 114.A N ILE 110.A O no hydrogen 2.960 N/A ALA 115.A N LEU 111.A O no hydrogen 2.843 N/A LEU 116.A N ALA 112.A O no hydrogen 3.200 N/A PHE 117.A N GLY 113.A O no hydrogen 2.993 N/A LEU 118.A N ASP 114.A O no hydrogen 2.962 N/A ASP 119.A N ALA 115.A O no hydrogen 2.689 N/A SER 120.A N LEU 116.A O no hydrogen 3.095 N/A SER 120.A OG PHE 117.A O no hydrogen 2.694 N/A ALA 122.A N ASP 119.A O no hydrogen 3.029 N/A LEU 123.A N SER 120.A O no hydrogen 3.141 N/A ALA 125.A N TYR 121.A O no hydrogen 3.020 N/A GLN 126.A N ALA 122.A O no hydrogen 2.936 N/A ALA 127.A N ILE 124.A O no hydrogen 3.399 N/A LYS 134.A N PRO 130.A O no hydrogen 3.062 N/A LYS 134.A NZ ALA 125.A O no hydrogen 2.833 N/A LYS 134.A NZ ALA 127.A O no hydrogen 2.991 N/A VAL 135.A N SER 131.A O no hydrogen 2.986 N/A ASP 136.A N GLN 132.A O no hydrogen 2.951 N/A LEU 137.A N ILE 133.A O no hydrogen 2.870 N/A ILE 138.A N LYS 134.A O no hydrogen 2.878 N/A ALA 139.A N VAL 135.A O no hydrogen 2.902 N/A ASN 140.A N ASP 136.A O no hydrogen 3.132 N/A LEU 141.A N LEU 137.A O no hydrogen 3.069 N/A SER 142.A N ILE 138.A O no hydrogen 2.962 N/A LEU 143.A N ALA 139.A O no hydrogen 2.969 N/A ALA 144.A N ASN 140.A O no hydrogen 3.034 N/A SER 145.A N SER 142.A O no hydrogen 3.150 N/A SER 145.A OG LEU 141.A O no hydrogen 2.738 N/A GLY 146.A N SER 142.A O no hydrogen 2.962 N/A GLY 149.A N GLY 146.A O no hydrogen 2.953 N/A MET 150.A N ALA 144.A O no hydrogen 2.939 N/A VAL 151.A N SER 145.A O no hydrogen 3.178 N/A GLY 153.A N GLY 149.A O no hydrogen 2.885 N/A GLN 154.A N MET 150.A O no hydrogen 2.895 N/A GLN 154.A NE2 ASP 83.A OD1 no hydrogen 2.971 N/A GLN 154.A NE2 ASP 83.A OD2 no hydrogen 3.558 N/A VAL 155.A N VAL 151.A O no hydrogen 2.944 N/A LEU 156.A N ALA 152.A O no hydrogen 2.984 N/A ASP 157.A N GLY 153.A O no hydrogen 2.874 N/A MET 158.A N GLN 154.A O no hydrogen 2.989 N/A GLU 159.A N VAL 155.A O no hydrogen 2.958 N/A GLY 160.A N LEU 156.A O no hydrogen 2.882 N/A GLY 160.A N ASP 157.A O no hydrogen 3.250 N/A GLU 161.A N MET 158.A O no hydrogen 3.365 N/A HIS 162.A N GLU 228.A O no hydrogen 2.634 N/A SER 166.A N GLU 169.A OE2 no hydrogen 3.091 N/A SER 166.A OG GLU 169.A OE2 no hydrogen 2.926 N/A LEU 170.A N SER 166.A O no hydrogen 3.044 N/A GLN 171.A N LEU 167.A O no hydrogen 2.837 N/A GLN 171.A NE2 TYR 232.A OH no hydrogen 3.507 N/A THR 172.A N GLU 168.A O no hydrogen 3.089 N/A THR 172.A OG1 GLU 168.A O no hydrogen 2.732 N/A ILE 173.A N GLU 169.A O no hydrogen 3.033 N/A HIS 174.A N LEU 170.A O no hydrogen 2.958 N/A ALA 175.A N GLN 171.A O no hydrogen 2.811 N/A ASN 176.A N THR 172.A O no hydrogen 3.372 N/A ASN 176.A ND2 THR 172.A O no hydrogen 2.577 N/A LYS 177.A N ILE 173.A O no hydrogen 2.822 N/A LYS 177.A NZ ASP 157.A OD2 no hydrogen 2.710 N/A THR 178.A N HIS 174.A O no hydrogen 3.108 N/A THR 178.A OG1 HIS 174.A O no hydrogen 3.093 N/A GLY 179.A N HIS 174.A O no hydrogen 2.834 N/A LYS 180.A NZ LEU 148.A O no hydrogen 2.847 N/A LYS 180.A NZ ASN 176.A OD1 no hydrogen 2.440 N/A LEU 182.A N THR 178.A O no hydrogen 3.194 N/A ALA 183.A N GLY 179.A O no hydrogen 2.922 N/A ALA 183.A N LYS 180.A O no hydrogen 3.226 N/A TYR 184.A N LYS 180.A O no hydrogen 2.847 N/A TYR 184.A OH LEU 137.A O no hydrogen 2.785 N/A PHE 186.A N ALA 183.A O no hydrogen 3.133 N/A GLN 187.A N ALA 183.A O no hydrogen 3.285 N/A ALA 188.A N TYR 184.A O no hydrogen 2.623 N/A ALA 189.A N PRO 185.A O no hydrogen 3.004 N/A ALA 190.A N PHE 186.A O no hydrogen 3.110 N/A ILE 191.A N GLN 187.A O no hydrogen 3.037 N/A ILE 192.A N ALA 188.A O no hydrogen 3.031 N/A ALA 193.A N ALA 189.A O no hydrogen 2.927 N/A GLU 194.A N ILE 191.A O no hydrogen 3.076 N/A LEU 195.A N ALA 190.A O no hydrogen 2.963 N/A MET 199.A N SER 196.A OG no hydrogen 3.158 N/A GLN 200.A N SER 196.A O no hydrogen 2.890 N/A GLN 200.A NE2 LEU 195.A O no hydrogen 3.558 N/A VAL 201.A N PRO 197.A O no hydrogen 3.372 N/A LYS 202.A N GLU 198.A O no hydrogen 2.952 N/A LYS 202.A NZ GLU 258.A OE2 no hydrogen 2.737 N/A LYS 202.A NZ GLN 262.A OE1 no hydrogen 3.167 N/A LEU 203.A N MET 199.A O no hydrogen 3.044 N/A LYS 204.A N GLN 200.A O no hydrogen 2.933 N/A THR 205.A N VAL 201.A O no hydrogen 2.894 N/A THR 205.A OG1 VAL 201.A O no hydrogen 2.825 N/A VAL 206.A N LYS 202.A O no hydrogen 3.229 N/A GLY 207.A N LEU 203.A O no hydrogen 3.165 N/A GLU 208.A N LYS 204.A O no hydrogen 2.847 N/A LEU 209.A N THR 205.A O no hydrogen 2.900 N/A ILE 210.A N VAL 206.A O no hydrogen 2.930 N/A GLY 211.A N GLY 207.A O no hydrogen 2.821 N/A LEU 212.A N GLU 208.A O no hydrogen 2.828 N/A ALA 213.A N LEU 209.A O no hydrogen 3.031 N/A PHE 214.A N ILE 210.A O no hydrogen 2.875 N/A GLN 215.A N GLY 211.A O no hydrogen 3.352 N/A VAL 216.A N LEU 212.A O no hydrogen 3.114 N/A ARG 217.A N ALA 213.A O no hydrogen 2.824 N/A ARG 217.A NH1 LEU 277.A O no hydrogen 3.333 N/A ASP 218.A N PHE 214.A O no hydrogen 3.240 N/A ASP 219.A N GLN 215.A O no hydrogen 3.026 N/A VAL 220.A N VAL 216.A O no hydrogen 3.055 N/A LEU 221.A N ARG 217.A O no hydrogen 2.880 N/A ASP 222.A N ASP 218.A O no hydrogen 2.827 N/A VAL 223.A N VAL 220.A O no hydrogen 3.114 N/A THR 224.A N VAL 220.A O no hydrogen 2.713 N/A THR 224.A OG1 VAL 220.A O no hydrogen 3.449 N/A ALA 225.A N LEU 221.A O no hydrogen 2.984 N/A SER 226.A OG VAL 223.A O no hydrogen 3.328 N/A LYS 229.A NZ GLU 161.A OE2 no hydrogen 2.548 N/A SER 230.A OG GLN 163.A O no hydrogen 2.980 N/A TYR 232.A N ASP 219.A OD2 no hydrogen 3.065 N/A ALA 234.A N THR 231.A O no hydrogen 3.195 N/A ALA 234.A N THR 231.A OG1 no hydrogen 3.108 N/A LEU 235.A N TYR 232.A O no hydrogen 3.183 N/A LEU 236.A N TYR 232.A O no hydrogen 3.026 N/A GLY 237.A N PRO 233.A O no hydrogen 3.110 N/A SER 241.A N GLY 237.A O no hydrogen 3.001 N/A SER 241.A OG GLY 237.A O no hydrogen 2.760 N/A ALA 243.A N GLU 239.A O no hydrogen 3.021 N/A PHE 244.A N GLU 240.A O no hydrogen 2.614 N/A CYS 245.A N SER 241.A O no hydrogen 2.976 N/A CYS 245.A SG ALA 213.A O no hydrogen 3.871 N/A CYS 245.A SG LEU 277.A O no hydrogen 3.952 N/A ASN 246.A N ILE 242.A O no hydrogen 2.890 N/A ASN 246.A ND2 ILE 279.A O no hydrogen 3.395 N/A GLN 247.A N ALA 243.A O no hydrogen 2.839 N/A THR 248.A N PHE 244.A O no hydrogen 2.963 N/A THR 248.A OG1 PHE 244.A O no hydrogen 2.642 N/A LEU 249.A N CYS 245.A O no hydrogen 2.936 N/A ASP 250.A N ASN 246.A O no hydrogen 2.847 N/A GLN 251.A N GLN 247.A O no hydrogen 3.043 N/A ALA 252.A N THR 248.A O no hydrogen 3.137 N/A ASN 253.A N LEU 249.A O no hydrogen 3.181 N/A ASN 253.A ND2 GLU 275.A OE2 no hydrogen 2.917 N/A GLU 254.A N ASP 250.A O no hydrogen 2.991 N/A LYS 255.A N GLN 251.A O no hydrogen 2.986 N/A LYS 255.A NZ LYS 202.A O no hydrogen 3.312 N/A LEU 256.A N ALA 252.A O no hydrogen 2.710 N/A GLU 257.A N ASN 253.A O no hydrogen 2.935 N/A GLU 258.A N GLU 254.A O no hydrogen 3.046 N/A ILE 259.A N LYS 255.A O no hydrogen 2.895 N/A ALA 260.A N LEU 256.A O no hydrogen 3.124 N/A GLN 261.A N GLU 257.A O no hydrogen 3.096 N/A GLN 262.A N ILE 259.A O no hydrogen 3.106 N/A GLU 266.A N ALA 56.A O no hydrogen 3.046 N/A THR 267.A OG1 GLU 268.A OE1 no hydrogen 3.400 N/A SER 269.A OG GLU 52.A OE2 no hydrogen 3.352 N/A VAL 271.A N THR 267.A O no hydrogen 2.734 N/A SER 272.A N GLU 268.A O no hydrogen 3.141 N/A VAL 273.A N SER 269.A O no hydrogen 3.352 N/A VAL 274.A N ILE 270.A O no hydrogen 2.961 N/A GLU 275.A N VAL 271.A O no hydrogen 2.826 N/A SER 276.A N SER 272.A O no hydrogen 2.893 N/A SER 276.A OG VAL 273.A O no hydrogen 2.634 N/A LEU 277.A N VAL 274.A O no hydrogen 3.279 N/A ARG 278.A N GLU 275.A O no hydrogen 3.128 N/A ARG 278.A NE GLU 275.A OE1 no hydrogen 2.702 N/A ARG 278.A NH2 ASP 250.A OD1 no hydrogen 2.610 N/A ARG 278.A NH2 GLU 275.A OE2 no hydrogen 3.234 N/A ILE 279.A N ASN 246.A OD1 no hydrogen 3.047 N/A