Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bek_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 272.A O no hydrogen 2.830 N/A SER 6.A N GLY 126.A O no hydrogen 2.502 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 3.046 N/A ARG 11.A N GLU 8.A O no hydrogen 3.130 N/A ARG 11.A NH1 ASP 15.A OD2 no hydrogen 3.555 N/A SER 12.A N ASP 15.A OD1 no hydrogen 2.752 N/A SER 12.A OG ASP 15.A OD1 no hydrogen 3.204 N/A TYR 13.A OH ILE 282.A O no hydrogen 3.341 N/A ASP 15.A N SER 12.A O no hydrogen 2.798 N/A PHE 16.A N SER 12.A O no hydrogen 3.139 N/A GLN 17.A N TYR 13.A O no hydrogen 2.767 N/A GLN 17.A NE2 GLN 17.A O no hydrogen 3.166 N/A GLN 17.A NE2 LYS 284.A O no hydrogen 3.219 N/A LYS 18.A N GLU 14.A O no hydrogen 3.434 N/A TYR 20.A N PHE 16.A O no hydrogen 3.036 N/A TYR 20.A OH GLU 115.A OE2 no hydrogen 2.903 N/A ASN 21.A N GLN 17.A O no hydrogen 2.781 N/A ASN 21.A ND2 GLN 289.A OE1 no hydrogen 2.824 N/A ALA 22.A N LYS 18.A O no hydrogen 2.993 N/A ILE 23.A N VAL 19.A O no hydrogen 3.055 N/A ALA 24.A N TYR 20.A O no hydrogen 3.005 N/A LEU 25.A N ASN 21.A O no hydrogen 2.876 N/A LYS 26.A N ALA 22.A O no hydrogen 3.007 N/A LYS 26.A NZ ASP 30.A OD1 no hydrogen 3.446 N/A LYS 26.A NZ ASP 30.A OD2 no hydrogen 2.951 N/A LEU 27.A N ILE 23.A O no hydrogen 2.809 N/A ARG 28.A N ALA 24.A O no hydrogen 3.064 N/A ARG 28.A NH1 LEU 291.A OXT no hydrogen 2.849 N/A ARG 28.A NH2 LEU 291.A O no hydrogen 2.858 N/A ARG 28.A NH2 LEU 291.A OXT no hydrogen 3.144 N/A GLU 29.A N LEU 25.A O no hydrogen 3.043 N/A ASP 30.A N LYS 26.A O no hydrogen 2.995 N/A ALA 36.A N GLU 32.A O no hydrogen 2.689 N/A ILE 37.A N TYR 33.A O no hydrogen 2.820 N/A ILE 37.A N ASP 34.A O no hydrogen 3.343 N/A GLY 38.A N TYR 33.A O no hydrogen 2.956 N/A LEU 43.A N TYR 39.A O no hydrogen 3.133 N/A LEU 43.A N GLY 40.A O no hydrogen 3.043 N/A VAL 44.A N GLY 40.A O no hydrogen 2.984 N/A ARG 45.A N PRO 41.A O no hydrogen 2.934 N/A ARG 45.A NH1 ALA 80.A O no hydrogen 2.947 N/A LEU 46.A N VAL 42.A O no hydrogen 2.867 N/A ALA 47.A N LEU 43.A O no hydrogen 3.091 N/A TRP 48.A N VAL 44.A O no hydrogen 3.107 N/A TRP 48.A N ARG 45.A O no hydrogen 2.964 N/A HIS 49.A N ARG 45.A O no hydrogen 2.942 N/A HIS 49.A ND1 ASN 79.A OD1 no hydrogen 2.403 N/A ILE 50.A N LEU 46.A O no hydrogen 3.041 N/A SER 51.A N TRP 48.A O no hydrogen 3.075 N/A SER 51.A OG ALA 47.A O no hydrogen 2.953 N/A GLY 52.A N TRP 48.A O no hydrogen 2.779 N/A TRP 54.A NE1 ASN 59.A OD1 no hydrogen 2.829 N/A ASP 55.A N THR 60.A O no hydrogen 2.899 N/A LYS 56.A N ARG 157.A O no hydrogen 3.175 N/A LYS 56.A NZ GLN 156.A O no hydrogen 3.294 N/A LYS 56.A NZ GLN 156.A OE1 no hydrogen 3.435 N/A HIS 57.A N ASP 55.A OD1 no hydrogen 2.685 N/A ASN 59.A N ASP 55.A O no hydrogen 2.730 N/A ASN 59.A ND2 LEU 1.A O no hydrogen 2.835 N/A ASN 59.A ND2 GLY 270.A O no hydrogen 3.659 N/A THR 60.A N ASP 58.A OD1 no hydrogen 2.943 N/A THR 60.A OG1 ASP 58.A OD1 no hydrogen 2.459 N/A THR 60.A OG1 ASP 58.A OD2 no hydrogen 3.186 N/A GLY 62.A N THR 53.A OG1 no hydrogen 3.098 N/A SER 63.A OG LEU 267.A O no hydrogen 2.793 N/A TYR 64.A OH VAL 4.A O no hydrogen 2.445 N/A GLY 66.A N SER 63.A O no hydrogen 3.276 N/A THR 67.A OG1 GLU 73.A OE1 no hydrogen 2.493 N/A ARG 69.A N GLY 66.A O no hydrogen 3.258 N/A ARG 69.A NH1 GLY 65.A O no hydrogen 2.962 N/A ARG 69.A NH1 GLY 66.A O no hydrogen 3.384 N/A ARG 69.A NH1 THR 130.A O no hydrogen 3.309 N/A ARG 69.A NH2 THR 130.A O no hydrogen 2.564 N/A PHE 70.A N THR 67.A O no hydrogen 2.824 N/A LYS 72.A NZ THR 135.A O no hydrogen 2.680 N/A PHE 74.A N PHE 70.A O no hydrogen 2.675 N/A ASN 75.A N LYS 71.A O no hydrogen 2.604 N/A ASP 76.A N GLU 73.A O no hydrogen 2.946 N/A SER 78.A N ASP 76.A OD1 no hydrogen 2.923 N/A SER 78.A OG ASP 76.A OD1 no hydrogen 3.244 N/A ASN 79.A N ASP 76.A O no hydrogen 2.638 N/A ASN 79.A ND2 GLU 73.A O no hydrogen 3.025 N/A ALA 80.A N PRO 77.A O no hydrogen 3.043 N/A LEU 82.A N ASN 79.A O no hydrogen 2.963 N/A ASN 84.A N GLY 81.A O no hydrogen 3.387 N/A GLY 85.A N LEU 82.A O no hydrogen 2.752 N/A PHE 86.A N LEU 82.A O no hydrogen 3.039 N/A LYS 87.A N GLN 83.A O no hydrogen 2.932 N/A PHE 88.A N ASN 84.A O no hydrogen 3.185 N/A LEU 89.A N GLY 85.A O no hydrogen 3.102 N/A GLU 90.A N PHE 86.A O no hydrogen 2.885 N/A ILE 92.A N LEU 89.A O no hydrogen 2.664 N/A HIS 93.A N LEU 89.A O no hydrogen 3.059 N/A HIS 93.A NE2 ILE 99.A O no hydrogen 2.762 N/A LYS 94.A N GLU 90.A O no hydrogen 3.030 N/A GLU 95.A N PRO 91.A O no hydrogen 3.168 N/A PHE 96.A N ILE 92.A O no hydrogen 2.922 N/A ILE 99.A N PHE 96.A O no hydrogen 3.186 N/A SER 100.A N GLU 8.A OE2 no hydrogen 2.697 N/A SER 100.A OG GLU 8.A OE2 no hydrogen 3.197 N/A SER 100.A OG ARG 127.A O no hydrogen 2.770 N/A SER 101.A N ASP 129.A OD1 no hydrogen 2.819 N/A SER 101.A OG ASP 129.A OD2 no hydrogen 3.465 N/A ASP 103.A N SER 100.A OG no hydrogen 3.230 N/A LEU 104.A N SER 100.A O no hydrogen 3.052 N/A PHE 105.A N SER 101.A O no hydrogen 2.865 N/A SER 106.A N GLY 102.A O no hydrogen 3.225 N/A SER 106.A OG GLY 102.A O no hydrogen 2.794 N/A SER 106.A OG ASP 103.A O no hydrogen 3.261 N/A LEU 107.A N ASP 103.A O no hydrogen 2.893 N/A GLY 108.A N LEU 104.A O no hydrogen 2.969 N/A VAL 110.A N SER 106.A O no hydrogen 3.370 N/A THR 111.A N LEU 107.A O no hydrogen 2.785 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.714 N/A ALA 112.A N GLY 108.A O no hydrogen 2.797 N/A VAL 113.A N GLY 109.A O no hydrogen 3.026 N/A GLN 114.A N VAL 110.A O no hydrogen 3.157 N/A GLN 114.A NE2 TYR 20.A OH no hydrogen 3.124 N/A GLN 114.A NE2 PHE 283.A O no hydrogen 3.269 N/A GLU 115.A N THR 111.A O no hydrogen 2.812 N/A MET 116.A N ALA 112.A O no hydrogen 3.025 N/A MET 116.A N VAL 113.A O no hydrogen 3.194 N/A GLN 117.A N GLN 114.A O no hydrogen 3.370 N/A GLY 118.A N VAL 113.A O no hydrogen 2.651 N/A LYS 120.A NZ PHE 283.A O no hydrogen 3.407 N/A LYS 120.A NZ GLU 288.A OE1 no hydrogen 3.341 N/A LYS 120.A NZ GLU 288.A OE2 no hydrogen 3.236 N/A ILE 121.A N GLN 114.A OE1 no hydrogen 3.039 N/A TRP 123.A N PHE 281.A O no hydrogen 2.873 N/A TRP 123.A NE1 SER 106.A OG no hydrogen 3.186 N/A ARG 124.A NH2 PRO 278.A O no hydrogen 3.346 N/A GLY 126.A N ASP 103.A OD2 no hydrogen 2.896 N/A ARG 127.A N ASP 103.A OD1 no hydrogen 3.182 N/A ARG 127.A NE SER 63.A OG no hydrogen 3.085 N/A ARG 127.A NE LEU 267.A O no hydrogen 3.534 N/A ARG 127.A NH1 ASP 103.A OD1 no hydrogen 3.214 N/A ARG 127.A NH1 ARG 124.A O no hydrogen 2.415 N/A ARG 127.A NH2 LEU 267.A O no hydrogen 3.123 N/A THR 130.A N GLY 65.A O no hydrogen 3.172 N/A THR 130.A OG1 THR 134.A OG1 no hydrogen 2.729 N/A THR 134.A N PRO 131.A O no hydrogen 2.816 N/A THR 134.A OG1 THR 130.A OG1 no hydrogen 2.729 N/A THR 134.A OG1 PRO 131.A O no hydrogen 2.455 N/A THR 135.A N GLU 132.A O no hydrogen 3.281 N/A THR 135.A OG1 GLU 132.A O no hydrogen 2.633 N/A ASN 138.A ND2 LYS 72.A O no hydrogen 3.019 N/A ARG 140.A NH1 THR 53.A O no hydrogen 2.785 N/A ARG 140.A NH1 THR 60.A O no hydrogen 3.385 N/A ARG 140.A NH1 THR 60.A OG1 no hydrogen 3.001 N/A ARG 140.A NH2 THR 60.A OG1 no hydrogen 2.975 N/A ASP 143.A N TYR 150.A OH no hydrogen 2.916 N/A LYS 146.A NZ ASP 143.A OD2 no hydrogen 3.322 N/A LYS 146.A NZ ASP 145.A OD1 no hydrogen 3.372 N/A TYR 150.A N ASP 147.A OD1 no hydrogen 3.224 N/A VAL 151.A N ASP 147.A O no hydrogen 2.882 N/A ARG 152.A N ALA 148.A O no hydrogen 2.958 N/A ARG 152.A NE ASP 162.A OD1 no hydrogen 2.801 N/A ARG 152.A NH1 ASP 238.A OD2 no hydrogen 2.823 N/A ARG 152.A NH2 ASP 162.A OD1 no hydrogen 3.481 N/A ARG 152.A NH2 ASP 162.A OD2 no hydrogen 3.432 N/A ARG 152.A NH2 ASP 238.A OD1 no hydrogen 2.977 N/A ARG 152.A NH2 ASP 238.A OD2 no hydrogen 3.238 N/A THR 153.A N GLY 149.A O no hydrogen 3.006 N/A THR 153.A OG1 GLY 149.A O no hydrogen 3.220 N/A PHE 154.A N TYR 150.A O no hydrogen 2.777 N/A PHE 155.A N VAL 151.A O no hydrogen 3.100 N/A GLN 156.A N THR 153.A O no hydrogen 3.160 N/A ARG 157.A N PHE 154.A O no hydrogen 2.975 N/A ARG 157.A NE TRP 54.A O no hydrogen 2.747 N/A ARG 157.A NH1 ARG 140.A O no hydrogen 2.739 N/A ARG 157.A NH2 TRP 54.A O no hydrogen 2.897 N/A ARG 157.A NH2 ARG 140.A O no hydrogen 3.337 N/A LEU 158.A N PHE 155.A O no hydrogen 3.175 N/A ASN 159.A N GLN 156.A O no hydrogen 2.822 N/A MET 160.A N PHE 155.A O no hydrogen 2.759 N/A ASN 161.A N GLU 164.A OE1 no hydrogen 2.589 N/A ARG 163.A NH1 GLU 247.A OE1 no hydrogen 3.501 N/A ARG 163.A NH1 ASP 258.A OD2 no hydrogen 3.058 N/A ARG 163.A NH2 GLU 247.A OE1 no hydrogen 3.542 N/A GLU 164.A N ASN 161.A OD1 no hydrogen 2.835 N/A VAL 165.A N ASN 161.A O no hydrogen 2.972 N/A VAL 166.A N ASP 162.A O no hydrogen 2.939 N/A ALA 167.A N ARG 163.A O no hydrogen 3.019 N/A LEU 168.A N GLU 164.A O no hydrogen 2.859 N/A MET 169.A N VAL 165.A O no hydrogen 3.055 N/A GLY 170.A N ALA 167.A O no hydrogen 3.112 N/A ALA 171.A N LEU 168.A O no hydrogen 3.209 N/A HIS 172.A N MET 169.A O no hydrogen 3.009 N/A HIS 172.A ND1 ASP 232.A OD1 no hydrogen 2.700 N/A ALA 173.A N GLY 170.A O no hydrogen 3.368 N/A LEU 174.A N ALA 171.A O no hydrogen 2.871 N/A GLY 175.A N ASN 192.A O no hydrogen 3.001 N/A LYS 176.A NZ THR 177.A O no hydrogen 2.801 N/A LYS 176.A NZ GLU 185.A OE2 no hydrogen 2.794 N/A THR 177.A N GLY 186.A O no hydrogen 2.758 N/A THR 177.A OG1 GLY 186.A O no hydrogen 3.150 N/A HIS 178.A NE2 ASP 34.A OD1 no hydrogen 3.162 N/A HIS 178.A NE2 ASP 34.A OD2 no hydrogen 2.752 N/A LEU 179.A N GLU 185.A OE1 no hydrogen 2.992 N/A ASN 181.A N HIS 178.A O no hydrogen 2.924 N/A SER 182.A N HIS 178.A O no hydrogen 2.911 N/A SER 182.A OG HIS 178.A O no hydrogen 3.332 N/A GLY 183.A N LEU 179.A O no hydrogen 2.845 N/A GLU 185.A N GLN 219.A OE1 no hydrogen 3.285 N/A GLY 186.A N THR 177.A O no hydrogen 3.336 N/A TRP 188.A NE1 ASP 232.A OD2 no hydrogen 2.902 N/A ALA 190.A N GLU 198.A OE2 no hydrogen 2.575 N/A ALA 191.A N GLU 198.A OE1 no hydrogen 2.966 N/A ASN 192.A ND2 GLY 175.A O no hydrogen 3.647 N/A ASN 193.A ND2 ILE 37.A O no hydrogen 2.622 N/A PHE 195.A N MET 116.A O no hydrogen 2.647 N/A ASN 197.A ND2 TYR 248.A O no hydrogen 3.005 N/A GLU 198.A N THR 196.A OG1 no hydrogen 2.958 N/A TYR 200.A N ASN 197.A O no hydrogen 2.932 N/A TYR 200.A OH VAL 166.A O no hydrogen 2.433 N/A LEU 201.A N ASN 197.A O no hydrogen 3.410 N/A ASN 202.A N GLU 198.A O no hydrogen 2.924 N/A ASN 202.A ND2 TRP 188.A O no hydrogen 2.688 N/A ASN 202.A ND2 GLU 198.A OE2 no hydrogen 3.341 N/A LEU 203.A N PHE 199.A O no hydrogen 3.101 N/A LEU 204.A N TYR 200.A O no hydrogen 2.776 N/A ASN 205.A N LEU 201.A O no hydrogen 2.680 N/A GLU 206.A N ASN 202.A O no hydrogen 3.085 N/A TRP 208.A NE1 ASN 202.A O no hydrogen 3.117 N/A LYS 209.A N ASP 221.A O no hydrogen 2.717 N/A LYS 209.A NZ ASP 207.A OD1 no hydrogen 3.111 N/A LYS 209.A NZ TRP 208.A O no hydrogen 3.084 N/A GLU 211.A N GLN 219.A O no hydrogen 2.806 N/A ASN 213.A N ASN 217.A O no hydrogen 2.774 N/A ASN 213.A ND2 GLY 183.A O no hydrogen 3.109 N/A ASN 213.A ND2 GLN 219.A OE1 no hydrogen 2.390 N/A ALA 215.A N ASN 213.A OD1 no hydrogen 2.795 N/A ASN 216.A N ASN 213.A O no hydrogen 2.665 N/A ASN 217.A N ASN 213.A OD1 no hydrogen 3.201 N/A ASN 217.A ND2 GLY 183.A O no hydrogen 2.765 N/A GLN 219.A N GLU 211.A O no hydrogen 2.792 N/A GLN 219.A NE2 GLU 185.A O no hydrogen 3.169 N/A GLN 219.A NE2 ASP 221.A OD1 no hydrogen 3.131 N/A TRP 220.A N MET 228.A O no hydrogen 3.201 N/A ASP 221.A N LYS 209.A O no hydrogen 2.672 N/A SER 222.A N TYR 226.A O no hydrogen 2.861 N/A SER 222.A OG GLU 206.A OE1 no hydrogen 2.776 N/A SER 224.A N SER 222.A OG no hydrogen 2.895 N/A SER 224.A OG GLU 206.A OE1 no hydrogen 2.440 N/A SER 224.A OG GLU 206.A OE2 no hydrogen 3.492 N/A GLY 225.A N SER 222.A O no hydrogen 3.003 N/A MET 227.A N PRO 187.A O no hydrogen 3.107 N/A MET 228.A N TRP 220.A O no hydrogen 2.939 N/A LEU 229.A N ASP 232.A OD2 no hydrogen 2.736 N/A THR 231.A N ALA 144.A O no hydrogen 3.303 N/A TYR 233.A N LEU 229.A O no hydrogen 2.790 N/A SER 234.A N PRO 230.A O no hydrogen 2.892 N/A SER 234.A OG THR 231.A O no hydrogen 3.185 N/A LEU 235.A N ASP 232.A O no hydrogen 3.070 N/A ILE 236.A N TYR 233.A O no hydrogen 2.874 N/A GLN 237.A N SER 234.A O no hydrogen 3.070 N/A ASP 238.A N SER 234.A O no hydrogen 3.083 N/A TYR 241.A N ASP 238.A OD1 no hydrogen 2.766 N/A LEU 242.A N ASP 238.A O no hydrogen 2.650 N/A SER 243.A OG PRO 239.A O no hydrogen 3.494 N/A SER 243.A OG LYS 240.A O no hydrogen 2.939 N/A ILE 244.A N TYR 241.A O no hydrogen 2.981 N/A VAL 245.A N TYR 241.A O no hydrogen 2.923 N/A LYS 246.A N LEU 242.A O no hydrogen 2.935 N/A GLU 247.A N SER 243.A O no hydrogen 3.165 N/A TYR 248.A N ILE 244.A O no hydrogen 3.038 N/A TYR 248.A OH ASP 258.A OD2 no hydrogen 2.521 N/A ALA 249.A N VAL 245.A O no hydrogen 2.930 N/A ASN 250.A N LYS 246.A O no hydrogen 3.130 N/A ASN 250.A N GLU 247.A O no hydrogen 3.263 N/A ASN 250.A ND2 LYS 246.A O no hydrogen 3.617 N/A ASP 251.A N GLU 247.A O no hydrogen 2.856 N/A ASP 253.A N ASP 251.A OD1 no hydrogen 3.064 N/A LYS 254.A N ASP 251.A OD1 no hydrogen 3.376 N/A PHE 255.A N ASP 251.A O no hydrogen 3.026 N/A PHE 256.A N GLN 252.A O no hydrogen 3.007 N/A LYS 257.A N ASP 253.A O no hydrogen 3.032 N/A ASP 258.A N LYS 254.A O no hydrogen 2.912 N/A PHE 259.A N PHE 255.A O no hydrogen 2.836 N/A SER 260.A N PHE 256.A O no hydrogen 2.930 N/A SER 260.A OG LYS 120.A O no hydrogen 2.828 N/A LYS 261.A N LYS 257.A O no hydrogen 3.160 N/A LYS 261.A NZ ASP 258.A OD1 no hydrogen 3.075 N/A ALA 262.A N ASP 258.A O no hydrogen 2.891 N/A PHE 263.A N PHE 259.A O no hydrogen 2.772 N/A GLU 264.A N SER 260.A O no hydrogen 3.097 N/A LYS 265.A N LYS 261.A O no hydrogen 3.264 N/A LYS 265.A NZ ASN 159.A O no hydrogen 3.036 N/A LYS 265.A NZ GLU 164.A OE1 no hydrogen 3.450 N/A LYS 265.A NZ GLU 164.A OE2 no hydrogen 3.176 N/A LEU 266.A N ALA 262.A O no hydrogen 2.787 N/A LEU 267.A N PHE 263.A O no hydrogen 2.931 N/A GLU 268.A N GLU 264.A O no hydrogen 2.722 N/A GLU 268.A N LYS 265.A O no hydrogen 3.064 N/A ASP 269.A N LEU 266.A O no hydrogen 3.480 N/A ILE 271.A N GLU 268.A O no hydrogen 3.263 N/A THR 272.A N HIS 3.A O no hydrogen 2.541 N/A ALA 277.A N PRO 274.A O no hydrogen 2.989 N/A PHE 281.A N TRP 123.A O no hydrogen 2.712 N/A LYS 284.A N GLN 17.A OE1 no hydrogen 2.812 N/A THR 285.A N GLU 288.A OE1 no hydrogen 2.421 N/A THR 285.A OG1 GLU 288.A OE1 no hydrogen 3.120 N/A LEU 286.A N GLU 115.A OE2 no hydrogen 3.054 N/A GLU 288.A N THR 285.A OG1 no hydrogen 3.093 N/A GLN 289.A N THR 285.A O no hydrogen 3.167 N/A GLN 289.A N LEU 286.A O no hydrogen 2.770 N/A GLN 289.A NE2 ASN 21.A OD1 no hydrogen 2.902 N/A GLY 290.A N GLU 287.A O no hydrogen 3.001 N/A LEU 291.A N LEU 286.A O no hydrogen 3.048 N/A