Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3at1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 307.A OD1 no hydrogen 3.064 N/A ALA 1.A N ASP 307.A OD2 no hydrogen 2.921 N/A ASN 2.A N ARG 306.A O no hydrogen 2.649 N/A ASN 2.A ND2 LEU 302.A O no hydrogen 2.789 N/A ASN 2.A ND2 ASN 305.A O no hydrogen 2.695 N/A ASN 2.A ND2 ARG 306.A O no hydrogen 3.577 N/A LEU 4.A N ASN 2.A OD1 no hydrogen 2.775 N/A TYR 5.A N ASN 2.A O no hydrogen 3.324 N/A GLN 6.A N VAL 303.A O no hydrogen 2.877 N/A LYS 7.A N LEU 4.A O no hydrogen 3.001 N/A LYS 7.A NZ PRO 3.A O no hydrogen 2.746 N/A ILE 9.A N VAL 124.A O no hydrogen 2.945 N/A SER 11.A N ASP 14.A OD2 no hydrogen 3.234 N/A ILE 12.A N GLN 133.A OE1 no hydrogen 2.893 N/A ASP 14.A N SER 11.A O no hydrogen 3.055 N/A LEU 15.A N ILE 12.A O no hydrogen 2.734 N/A SER 16.A N ASP 19.A OD1 no hydrogen 3.066 N/A SER 16.A OG ASP 19.A OD1 no hydrogen 3.047 N/A ARG 17.A NH1 ASP 153.A OD1 no hydrogen 2.740 N/A ARG 17.A NH2 ASP 180.A OD2 no hydrogen 2.987 N/A ASP 19.A N SER 16.A OG no hydrogen 2.873 N/A LEU 20.A N SER 16.A O no hydrogen 2.883 N/A ASN 21.A N ARG 17.A O no hydrogen 2.987 N/A LEU 22.A N ASP 18.A O no hydrogen 3.208 N/A VAL 23.A N ASP 19.A O no hydrogen 2.838 N/A LEU 24.A N LEU 20.A O no hydrogen 3.045 N/A ALA 25.A N ASN 21.A O no hydrogen 3.014 N/A ALA 25.A N LEU 22.A O no hydrogen 3.287 N/A THR 26.A N LEU 22.A O no hydrogen 3.140 N/A THR 26.A OG1 LEU 22.A O no hydrogen 2.898 N/A ALA 27.A N VAL 23.A O no hydrogen 3.070 N/A ALA 28.A N LEU 24.A O no hydrogen 3.187 N/A LYS 29.A N ALA 25.A O no hydrogen 3.066 N/A LYS 29.A NZ LEU 310.A O no hydrogen 2.896 N/A LYS 29.A NZ LEU 310.A OXT no hydrogen 3.060 N/A LEU 30.A N THR 26.A O no hydrogen 2.912 N/A LYS 31.A N ALA 27.A O no hydrogen 2.749 N/A LYS 31.A NZ GLN 147.A OE1 no hydrogen 2.624 N/A ALA 32.A N ALA 28.A O no hydrogen 2.890 N/A ASN 33.A N LYS 29.A O no hydrogen 2.739 N/A LEU 38.A N GLN 35.A O no hydrogen 3.122 N/A LEU 39.A N LEU 66.A O no hydrogen 2.739 N/A LYS 40.A N GLU 37.A O no hydrogen 3.365 N/A LYS 42.A N LEU 39.A O no hydrogen 3.065 N/A VAL 43.A N ASP 100.A OD2 no hydrogen 3.040 N/A ILE 44.A N SER 69.A O no hydrogen 2.675 N/A ALA 45.A N ALA 101.A O no hydrogen 2.952 N/A SER 46.A N VAL 71.A O no hydrogen 2.810 N/A CYS 47.A N VAL 103.A O no hydrogen 2.974 N/A PHE 48.A N PHE 73.A O no hydrogen 2.856 N/A PHE 49.A N ARG 105.A O no hydrogen 2.857 N/A GLU 50.A N ARG 105.A O no hydrogen 3.362 N/A ARG 56.A N SER 52.A O no hydrogen 3.074 N/A ARG 56.A NH1 GLN 60.A OE1 no hydrogen 3.441 N/A LEU 57.A N THR 53.A O no hydrogen 2.835 N/A SER 58.A N ARG 54.A O no hydrogen 2.735 N/A PHE 59.A N THR 55.A O no hydrogen 3.033 N/A GLN 60.A N ARG 56.A O no hydrogen 2.891 N/A GLN 60.A NE2 SER 46.A OG no hydrogen 2.806 N/A THR 61.A N LEU 57.A O no hydrogen 2.890 N/A THR 61.A OG1 LEU 57.A O no hydrogen 2.883 N/A SER 62.A N SER 58.A O no hydrogen 2.879 N/A SER 62.A OG SER 58.A O no hydrogen 2.822 N/A SER 62.A OG ILE 293.A O no hydrogen 3.240 N/A MET 63.A N PHE 59.A O no hydrogen 2.897 N/A HIS 64.A N GLN 60.A O no hydrogen 3.043 N/A ARG 65.A N THR 61.A O no hydrogen 2.780 N/A LEU 66.A N SER 62.A O no hydrogen 3.202 N/A LEU 66.A N MET 63.A O no hydrogen 3.337 N/A GLY 67.A N HIS 64.A O no hydrogen 3.105 N/A SER 69.A N LYS 42.A O no hydrogen 2.882 N/A VAL 71.A N ILE 44.A O no hydrogen 2.938 N/A PHE 73.A N SER 46.A O no hydrogen 2.863 N/A SER 76.A OG ASP 75.A O no hydrogen 2.795 N/A THR 79.A N ASN 78.A OD1 no hydrogen 2.636 N/A SER 80.A OG THR 79.A O no hydrogen 2.955 N/A LYS 83.A N LYS 84.A O no hydrogen 3.241 N/A GLU 86.A N LYS 84.A O no hydrogen 2.497 N/A ASP 90.A N THR 87.A OG1 no hydrogen 3.153 N/A THR 91.A N THR 87.A O no hydrogen 2.971 N/A THR 91.A OG1 THR 87.A O no hydrogen 2.867 N/A ILE 92.A N LEU 88.A O no hydrogen 2.818 N/A SER 93.A N ALA 89.A O no hydrogen 2.855 N/A SER 93.A OG ALA 89.A O no hydrogen 3.238 N/A ILE 95.A N THR 91.A O no hydrogen 2.915 N/A SER 96.A N ILE 92.A O no hydrogen 2.767 N/A SER 96.A OG ILE 92.A O no hydrogen 2.687 N/A SER 96.A OG SER 93.A O no hydrogen 3.227 N/A SER 96.A OG PHE 118.A O no hydrogen 3.276 N/A THR 97.A N VAL 94.A O no hydrogen 2.999 N/A TYR 98.A N ILE 95.A O no hydrogen 2.736 N/A VAL 99.A N ILE 95.A O no hydrogen 3.259 N/A ASP 100.A N VAL 43.A O no hydrogen 2.740 N/A ILE 102.A N PRO 123.A O no hydrogen 3.106 N/A VAL 103.A N ALA 45.A O no hydrogen 3.085 N/A MET 104.A N LEU 125.A O no hydrogen 2.987 N/A ARG 105.A N CYS 47.A O no hydrogen 2.808 N/A ARG 105.A NE ALA 127.A O no hydrogen 3.106 N/A ARG 105.A NH1 ALA 127.A O no hydrogen 3.053 N/A HIS 106.A N GLY 128.A O no hydrogen 3.140 N/A GLY 110.A N ASP 129.A OD2 no hydrogen 2.865 N/A ALA 111.A N GLN 108.A O no hydrogen 3.211 N/A ARG 113.A NH1 ASP 14.A OD1 no hydrogen 3.379 N/A ARG 113.A NH1 ASP 14.A OD2 no hydrogen 2.863 N/A ARG 113.A NH2 ASP 14.A OD1 no hydrogen 3.333 N/A ARG 113.A NH2 ASP 14.A OD2 no hydrogen 3.368 N/A LEU 114.A N GLY 110.A O no hydrogen 2.970 N/A ALA 115.A N ALA 111.A O no hydrogen 2.934 N/A THR 116.A N ALA 112.A O no hydrogen 3.058 N/A THR 116.A N ARG 113.A O no hydrogen 3.123 N/A THR 116.A OG1 ALA 112.A O no hydrogen 2.971 N/A GLU 117.A N LEU 114.A O no hydrogen 2.854 N/A PHE 118.A N ALA 115.A O no hydrogen 2.852 N/A SER 119.A OG VAL 122.A O no hydrogen 2.715 N/A VAL 122.A N SER 119.A O no hydrogen 2.799 N/A LEU 125.A N ILE 102.A O no hydrogen 2.808 N/A ASN 126.A N ILE 9.A O no hydrogen 2.981 N/A ASN 126.A ND2 ILE 10.A O no hydrogen 3.097 N/A ASN 126.A ND2 ASP 129.A OD1 no hydrogen 2.936 N/A ALA 127.A N MET 104.A O no hydrogen 3.093 N/A GLY 128.A N ASN 126.A OD1 no hydrogen 2.916 N/A ASP 129.A N GLN 133.A O no hydrogen 3.109 N/A GLY 130.A N HIS 106.A O no hydrogen 3.214 N/A SER 131.A N GLU 109.A OE2 no hydrogen 2.871 N/A SER 131.A OG GLU 109.A OE2 no hydrogen 2.695 N/A ASN 132.A N ASP 129.A O no hydrogen 2.927 N/A ASN 132.A ND2 ASP 129.A OD1 no hydrogen 3.179 N/A ASN 132.A ND2 ASP 129.A OD2 no hydrogen 3.306 N/A GLN 133.A N ASP 129.A OD1 no hydrogen 3.002 N/A GLN 133.A NE2 ASN 132.A OD1 no hydrogen 3.174 N/A THR 136.A OG1 ASN 126.A O no hydrogen 3.136 N/A GLN 137.A N HIS 134.A O no hydrogen 3.048 N/A GLN 137.A NE2 ASP 141.A OD1 no hydrogen 2.812 N/A GLN 137.A NE2 ASP 141.A OD2 no hydrogen 3.206 N/A THR 138.A OG1 HIS 134.A O no hydrogen 3.499 N/A LEU 139.A N PRO 135.A O no hydrogen 2.971 N/A LEU 140.A N THR 136.A O no hydrogen 3.307 N/A ASP 141.A N GLN 137.A O no hydrogen 2.927 N/A ASP 141.A N THR 138.A O no hydrogen 2.996 N/A LEU 142.A N THR 138.A O no hydrogen 2.908 N/A PHE 143.A N LEU 139.A O no hydrogen 2.922 N/A THR 144.A N LEU 140.A O no hydrogen 3.064 N/A THR 144.A OG1 LEU 140.A O no hydrogen 2.962 N/A THR 144.A OG1 ASN 291.A OD1 no hydrogen 3.073 N/A ILE 145.A N ASP 141.A O no hydrogen 2.845 N/A GLN 146.A N LEU 142.A O no hydrogen 2.856 N/A GLN 147.A N PHE 143.A O no hydrogen 2.847 N/A GLN 147.A NE2 ASN 291.A OD1 no hydrogen 2.846 N/A THR 148.A N THR 144.A O no hydrogen 2.925 N/A THR 148.A OG1 THR 144.A O no hydrogen 2.743 N/A THR 148.A OG1 ILE 145.A O no hydrogen 3.110 N/A THR 148.A OG1 GLU 149.A OE1 no hydrogen 3.426 N/A GLU 149.A N ILE 145.A O no hydrogen 2.821 N/A GLY 150.A N GLN 146.A O no hydrogen 2.704 N/A ARG 151.A NH2 ASP 153.A O no hydrogen 3.072 N/A ARG 151.A NH2 ASN 154.A O no hydrogen 2.446 N/A ASN 154.A N ASP 180.A O no hydrogen 2.641 N/A LEU 155.A N ASN 182.A OD1 no hydrogen 2.672 N/A HIS 156.A N ASP 223.A OD2 no hydrogen 3.167 N/A VAL 157.A N ARG 183.A O no hydrogen 3.122 N/A ALA 158.A N ILE 224.A O no hydrogen 2.979 N/A MET 159.A N TYR 185.A O no hydrogen 2.759 N/A VAL 160.A N TYR 226.A O no hydrogen 2.832 N/A GLY 161.A N ILE 187.A O no hydrogen 3.037 N/A LEU 163.A N LEU 192.A O no hydrogen 3.036 N/A LYS 164.A NZ TYR 165.A OH no hydrogen 2.972 N/A TYR 165.A N ASP 162.A OD2 no hydrogen 2.971 N/A GLY 166.A N ASP 162.A O no hydrogen 3.290 N/A ARG 167.A NE GLY 130.A O no hydrogen 2.785 N/A ARG 167.A NH1 GLY 130.A O no hydrogen 3.367 N/A HIS 170.A N GLY 166.A O no hydrogen 3.159 N/A HIS 170.A NE2 LYS 164.A O no hydrogen 2.799 N/A SER 171.A N ARG 167.A O no hydrogen 3.404 N/A SER 171.A OG ARG 167.A O no hydrogen 2.758 N/A SER 171.A OG THR 168.A O no hydrogen 3.086 N/A LEU 172.A N THR 168.A O no hydrogen 2.995 N/A THR 173.A N HIS 170.A O no hydrogen 3.155 N/A THR 173.A OG1 VAL 169.A O no hydrogen 2.638 N/A GLN 174.A N HIS 170.A O no hydrogen 3.070 N/A ALA 175.A N SER 171.A O no hydrogen 2.854 N/A LEU 176.A N LEU 172.A O no hydrogen 3.043 N/A ALA 177.A N THR 173.A O no hydrogen 2.851 N/A LYS 178.A N ALA 175.A O no hydrogen 3.010 N/A LYS 178.A NZ ILE 12.A O no hydrogen 3.215 N/A LYS 178.A NZ LEU 15.A O no hydrogen 2.681 N/A PHE 179.A N LEU 176.A O no hydrogen 3.011 N/A ASP 180.A N ASP 153.A OD1 no hydrogen 2.832 N/A ASN 182.A ND2 LEU 152.A O no hydrogen 3.089 N/A ASN 182.A ND2 LEU 176.A O no hydrogen 3.157 N/A ARG 183.A N LEU 155.A O no hydrogen 2.889 N/A PHE 184.A N ALA 208.A O no hydrogen 2.757 N/A TYR 185.A N VAL 157.A O no hydrogen 2.931 N/A TYR 185.A OH HIS 156.A ND1 no hydrogen 3.179 N/A PHE 186.A N SER 210.A O no hydrogen 2.777 N/A ILE 187.A N MET 159.A O no hydrogen 2.840 N/A LEU 192.A N PRO 189.A O no hydrogen 2.646 N/A ALA 193.A N ASP 190.A O no hydrogen 3.105 N/A LEU 199.A N PRO 195.A O no hydrogen 3.407 N/A ASP 200.A N GLU 196.A O no hydrogen 2.741 N/A MET 201.A N TYR 197.A O no hydrogen 2.834 N/A LEU 202.A N ILE 198.A O no hydrogen 2.988 N/A ASP 203.A N LEU 199.A O no hydrogen 2.815 N/A GLU 204.A N ASP 200.A O no hydrogen 2.999 N/A LYS 205.A N MET 201.A O no hydrogen 3.434 N/A LYS 205.A NZ ALA 177.A O no hydrogen 2.801 N/A GLY 206.A N ASP 203.A O no hydrogen 3.101 N/A ILE 207.A N LEU 202.A O no hydrogen 3.129 N/A TRP 209.A NE1 ASP 203.A OD1 no hydrogen 3.094 N/A SER 210.A N PHE 184.A O no hydrogen 2.853 N/A HIS 212.A N PHE 186.A O no hydrogen 2.902 N/A HIS 212.A ND1 LEU 211.A O no hydrogen 2.600 N/A SER 213.A N GLU 217.A OE1 no hydrogen 3.394 N/A SER 213.A N GLU 217.A OE2 no hydrogen 2.971 N/A SER 214.A N GLU 217.A OE2 no hydrogen 3.139 N/A GLU 216.A N GLU 216.A OE2 no hydrogen 3.221 N/A GLU 217.A N SER 214.A O no hydrogen 2.975 N/A VAL 218.A N ILE 215.A O no hydrogen 2.835 N/A MET 219.A N ILE 215.A O no hydrogen 2.980 N/A ALA 220.A N VAL 218.A O no hydrogen 2.627 N/A GLU 221.A N VAL 218.A O no hydrogen 2.793 N/A VAL 222.A N VAL 218.A O no hydrogen 3.404 N/A ASP 223.A N HIS 156.A O no hydrogen 2.825 N/A ILE 224.A N HIS 156.A O no hydrogen 3.304 N/A LEU 225.A N LYS 262.A O no hydrogen 2.876 N/A TYR 226.A N ALA 158.A O no hydrogen 2.870 N/A TYR 226.A OH ASP 141.A OD2 no hydrogen 2.933 N/A MET 227.A N LEU 264.A O no hydrogen 2.847 N/A THR 228.A N VAL 160.A O no hydrogen 3.045 N/A ARG 229.A NH2 GLU 272.A OE1 no hydrogen 3.214 N/A GLN 231.A NE2 ASP 162.A OD1 no hydrogen 2.923 N/A LYS 232.A NZ TYR 240.A OH no hydrogen 2.797 N/A LYS 232.A NZ ASP 271.A OD1 no hydrogen 3.022 N/A ARG 234.A N GLN 231.A O no hydrogen 3.318 N/A LEU 235.A N LYS 232.A O no hydrogen 2.909 N/A ASP 236.A N GLU 239.A OE1 no hydrogen 3.214 N/A SER 238.A N ASP 236.A OD2 no hydrogen 2.990 N/A TYR 240.A N ASP 236.A O no hydrogen 2.855 N/A ALA 241.A N PRO 237.A O no hydrogen 3.115 N/A ASN 242.A N GLU 239.A O no hydrogen 3.309 N/A ASN 242.A ND2 SER 238.A O no hydrogen 2.889 N/A LYS 244.A NZ SER 214.A OG no hydrogen 3.229 N/A LYS 244.A NZ GLU 216.A OE1 no hydrogen 2.910 N/A LYS 244.A NZ GLU 216.A OE2 no hydrogen 3.360 N/A ALA 245.A N VAL 243.A O no hydrogen 2.712 N/A GLN 246.A N VAL 243.A O no hydrogen 2.834 N/A GLN 246.A NE2 ASN 242.A O no hydrogen 3.563 N/A LEU 249.A N GLU 272.A O no hydrogen 2.812 N/A ARG 250.A N ASP 253.A OD2 no hydrogen 3.087 N/A ALA 251.A N ASP 276.A OD1 no hydrogen 3.047 N/A ALA 251.A N ASP 276.A OD2 no hydrogen 2.919 N/A ASP 253.A N ARG 250.A O no hydrogen 3.101 N/A LEU 254.A N ALA 251.A O no hydrogen 2.739 N/A HIS 255.A N SER 252.A O no hydrogen 3.237 N/A HIS 255.A ND1 ASP 253.A O no hydrogen 3.050 N/A ASN 256.A ND2 MET 219.A O no hydrogen 2.781 N/A ALA 257.A N LEU 254.A O no hydrogen 3.243 N/A LYS 258.A NZ GLU 221.A O no hydrogen 2.799 N/A LYS 258.A NZ ASP 223.A OD1 no hydrogen 2.957 N/A ASN 260.A ND2 GLU 149.A OE2 no hydrogen 2.999 N/A ASN 260.A ND2 ASP 223.A OD1 no hydrogen 2.843 N/A MET 261.A N LYS 258.A O no hydrogen 3.153 N/A LYS 262.A N ASP 223.A O no hydrogen 2.983 N/A LYS 262.A NZ MET 261.A O no hydrogen 3.120 N/A LYS 262.A NZ PRO 281.A O no hydrogen 3.102 N/A VAL 263.A N HIS 282.A O no hydrogen 2.865 N/A LEU 264.A N LEU 225.A O no hydrogen 3.011 N/A HIS 265.A N GLN 288.A OE1 no hydrogen 2.934 N/A HIS 265.A NE2 GLU 272.A OE2 no hydrogen 2.761 N/A LEU 267.A N HIS 265.A ND1 no hydrogen 3.005 N/A ARG 269.A NE ILE 273.A O no hydrogen 3.417 N/A ARG 269.A NH1 ILE 273.A O no hydrogen 3.436 N/A ARG 269.A NH1 ASP 278.A OD1 no hydrogen 2.994 N/A ARG 269.A NH1 ASP 278.A OD2 no hydrogen 2.574 N/A ARG 269.A NH2 ASP 278.A OD1 no hydrogen 3.299 N/A VAL 270.A N GLU 272.A OE1 no hydrogen 2.959 N/A GLU 272.A N GLU 272.A OE1 no hydrogen 2.853 N/A ALA 274.A N LEU 249.A O no hydrogen 2.833 N/A VAL 277.A N ALA 274.A O no hydrogen 2.824 N/A ASP 278.A N THR 275.A O no hydrogen 3.381 N/A THR 280.A N VAL 277.A O no hydrogen 3.072 N/A THR 280.A OG1 VAL 277.A O no hydrogen 2.799 N/A HIS 282.A N THR 280.A OG1 no hydrogen 3.242 N/A HIS 282.A NE2 LYS 258.A O no hydrogen 2.792 N/A ALA 283.A N THR 280.A O no hydrogen 3.319 N/A TRP 284.A N VAL 263.A O no hydrogen 2.886 N/A TYR 285.A OH ASP 278.A OD2 no hydrogen 2.744 N/A GLN 287.A NE2 ALA 283.A O no hydrogen 3.318 N/A GLN 288.A N TRP 284.A O no hydrogen 2.913 N/A GLN 288.A NE2 ASP 141.A OD1 no hydrogen 2.924 N/A ALA 289.A N TYR 285.A O no hydrogen 2.876 N/A GLY 290.A N PHE 286.A O no hydrogen 2.959 N/A ASN 291.A N GLN 287.A O no hydrogen 2.835 N/A ASN 291.A ND2 GLN 147.A OE1 no hydrogen 3.507 N/A GLY 292.A N GLN 288.A O no hydrogen 3.089 N/A GLY 292.A N ALA 289.A O no hydrogen 3.163 N/A ILE 293.A N GLY 290.A O no hydrogen 2.925 N/A PHE 294.A N ASN 291.A O no hydrogen 3.184 N/A ALA 295.A N ASN 291.A O no hydrogen 3.196 N/A ARG 296.A N GLY 292.A O no hydrogen 2.959 N/A ARG 296.A NE SER 58.A OG no hydrogen 2.929 N/A GLN 297.A N ILE 293.A O no hydrogen 2.823 N/A ALA 298.A N PHE 294.A O no hydrogen 2.783 N/A LEU 299.A N ALA 295.A O no hydrogen 3.164 N/A LEU 300.A N ARG 296.A O no hydrogen 3.318 N/A ALA 301.A N GLN 297.A O no hydrogen 2.743 N/A LEU 302.A N ALA 298.A O no hydrogen 2.902 N/A VAL 303.A N LEU 299.A O no hydrogen 2.864 N/A LEU 304.A N LEU 300.A O no hydrogen 3.124 N/A ASN 305.A ND2 ALA 301.A O no hydrogen 2.894 N/A