Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kcb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 GLN 3.A O no hydrogen 3.480 N/A ASN 8.A N ASP 5.A O no hydrogen 3.080 N/A ASN 8.A N ASP 5.A OD1 no hydrogen 3.163 N/A VAL 11.A N SER 281.A O no hydrogen 2.955 N/A HIS 12.A ND1 ASP 13.A OD2 no hydrogen 2.893 N/A HIS 12.A NE2 TYR 273.A OH no hydrogen 3.109 N/A VAL 15.A N PHE 26.A O no hydrogen 2.919 N/A MET 16.A N TYR 260.A OH no hydrogen 2.998 N/A ALA 17.A N TYR 24.A O no hydrogen 2.841 N/A ARG 18.A NH1 TYR 23.A OH no hydrogen 3.423 N/A ARG 18.A NH1 ASP 263.A OD1 no hydrogen 3.330 N/A ARG 18.A NH1 ASP 263.A OD2 no hydrogen 3.326 N/A ARG 18.A NH2 ASP 263.A OD1 no hydrogen 3.224 N/A GLU 19.A N LYS 22.A O no hydrogen 3.019 N/A LYS 22.A N GLU 19.A O no hydrogen 3.026 N/A TYR 23.A N SER 37.A O no hydrogen 2.697 N/A TYR 24.A N ALA 17.A O no hydrogen 2.747 N/A ILE 25.A N MET 35.A O no hydrogen 2.960 N/A PHE 26.A N VAL 15.A O no hydrogen 2.928 N/A MET 27.A N GLY 33.A O no hydrogen 3.004 N/A THR 28.A N HIS 12.A O no hydrogen 2.944 N/A THR 28.A OG1 HIS 12.A O no hydrogen 3.544 N/A THR 28.A OG1 ASP 13.A OD2 no hydrogen 2.633 N/A GLY 29.A N THR 68.A O no hydrogen 3.159 N/A ALA 31.A N GLY 66.A O no hydrogen 2.722 N/A VAL 32.A N GLY 29.A O no hydrogen 3.160 N/A GLY 33.A N MET 27.A O no hydrogen 2.976 N/A SER 34.A OG ARG 47.A O no hydrogen 2.673 N/A MET 35.A N ILE 25.A O no hydrogen 2.781 N/A THR 36.A N THR 44.A O no hydrogen 2.897 N/A SER 37.A N TYR 23.A O no hydrogen 2.948 N/A SER 37.A OG SER 42.A O no hydrogen 2.901 N/A ASP 39.A N SER 37.A OG no hydrogen 3.244 N/A LYS 41.A N SER 37.A OG no hydrogen 3.169 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 2.952 N/A SER 42.A N ASP 39.A OD1 no hydrogen 3.219 N/A TRP 43.A N ALA 6.A O no hydrogen 3.050 N/A THR 44.A N THR 36.A O no hydrogen 2.791 N/A THR 44.A OG1 THR 36.A O no hydrogen 3.398 N/A GLY 46.A N SER 34.A O no hydrogen 3.064 N/A VAL 49.A N VAL 32.A O no hydrogen 2.899 N/A MET 50.A N ALA 31.A O no hydrogen 2.812 N/A TRP 56.A NE1 ASP 115.A OD2 no hydrogen 2.947 N/A GLU 59.A N GLN 55.A O no hydrogen 3.142 N/A ALA 60.A N TRP 56.A O no hydrogen 3.135 N/A VAL 61.A N ALA 57.A O no hydrogen 2.894 N/A TYR 64.A N VAL 61.A O no hydrogen 3.195 N/A TYR 64.A OH THR 68.A OG1 no hydrogen 2.780 N/A THR 68.A N GLY 29.A O no hydrogen 3.030 N/A THR 68.A OG1 TYR 64.A OH no hydrogen 2.780 N/A THR 68.A OG1 GLY 66.A O no hydrogen 2.973 N/A TRP 69.A N SER 85.A O no hydrogen 2.945 N/A ALA 70.A N THR 28.A OG1 no hydrogen 3.078 N/A ASP 72.A N TYR 83.A O no hydrogen 2.743 N/A SER 74.A OG HIS 76.A NE2 no hydrogen 3.121 N/A HIS 76.A N THR 79.A O no hydrogen 2.913 N/A GLY 78.A N GLU 75.A OE1 no hydrogen 3.359 N/A THR 79.A N HIS 76.A O no hydrogen 3.213 N/A TRP 80.A N ASN 101.A O no hydrogen 2.815 N/A TRP 80.A NE1 GLU 19.A OE2 no hydrogen 2.980 N/A TYR 81.A N SER 74.A O no hydrogen 2.911 N/A MET 82.A N MET 99.A O no hydrogen 2.789 N/A TYR 83.A N ASP 72.A O no hydrogen 2.928 N/A TYR 83.A OH PHE 164.A O no hydrogen 2.837 N/A TYR 84.A N GLY 97.A O no hydrogen 2.947 N/A TYR 84.A OH ASP 115.A OD1 no hydrogen 2.662 N/A SER 85.A N TRP 69.A O no hydrogen 2.928 N/A SER 85.A OG TRP 69.A O no hydrogen 3.339 N/A CYS 86.A N ALA 95.A O no hydrogen 2.946 N/A SER 87.A OG THR 88.A O no hydrogen 3.412 N/A SER 87.A OG SER 94.A OG no hydrogen 2.751 N/A LYS 91.A N THR 88.A O no hydrogen 3.199 N/A ASN 92.A ND2 THR 127.A O no hydrogen 2.987 N/A ASN 92.A ND2 TRP 129.A O no hydrogen 3.353 N/A SER 94.A N SER 122.A O no hydrogen 2.946 N/A SER 94.A OG SER 87.A OG no hydrogen 2.751 N/A SER 94.A OG ASN 130.A OD1 no hydrogen 2.730 N/A ALA 95.A N CYS 86.A O no hydrogen 3.031 N/A ILE 96.A N VAL 120.A O no hydrogen 2.802 N/A GLY 97.A N TYR 84.A O no hydrogen 2.921 N/A LEU 98.A N GLY 117.A O no hydrogen 3.060 N/A MET 99.A N MET 82.A O no hydrogen 3.021 N/A THR 100.A N GLU 114.A O no hydrogen 2.969 N/A ASN 101.A N TRP 80.A O no hydrogen 2.981 N/A LYS 102.A NZ THR 79.A OG1 no hydrogen 3.292 N/A THR 103.A N ASN 101.A OD1 no hydrogen 3.023 N/A THR 103.A OG1 GLU 19.A OE1 no hydrogen 2.829 N/A LEU 104.A N GLU 19.A OE1 no hydrogen 2.930 N/A ASN 105.A N THR 103.A OG1 no hydrogen 3.329 N/A GLU 107.A N ASN 105.A OD1 no hydrogen 3.107 N/A SER 108.A N ASN 105.A O no hydrogen 3.154 N/A ASP 110.A N SER 108.A OG no hydrogen 3.202 N/A TYR 111.A N SER 108.A O no hydrogen 3.313 N/A LYS 112.A N ASN 101.A OD1 no hydrogen 3.273 N/A TRP 113.A NE1 TYR 111.A OH no hydrogen 2.834 N/A GLU 114.A N THR 100.A O no hydrogen 2.928 N/A LYS 116.A N LEU 98.A O no hydrogen 2.793 N/A GLY 117.A N ASP 115.A OD2 no hydrogen 2.738 N/A VAL 119.A N ILE 96.A O no hydrogen 2.703 N/A VAL 120.A N ILE 96.A O no hydrogen 3.456 N/A SER 122.A N SER 94.A O no hydrogen 2.788 N/A SER 122.A OG ASN 92.A O no hydrogen 2.577 N/A SER 122.A OG ASN 130.A OD1 no hydrogen 3.552 N/A VAL 123.A N THR 127.A OG1 no hydrogen 2.830 N/A GLN 126.A N VAL 123.A O no hydrogen 3.362 N/A THR 127.A N VAL 123.A O no hydrogen 3.054 N/A THR 127.A OG1 VAL 123.A O no hydrogen 3.212 N/A ASN 130.A ND2 LYS 91.A O no hydrogen 3.669 N/A ALA 131.A N SER 122.A OG no hydrogen 2.881 N/A ILE 132.A N ASN 130.A O no hydrogen 2.856 N/A ASP 133.A N SER 85.A OG no hydrogen 2.940 N/A ASN 135.A N THR 147.A O no hydrogen 2.726 N/A ASN 135.A ND2 ILE 190.A O no hydrogen 3.674 N/A LEU 136.A N ASP 72.A OD2 no hydrogen 3.036 N/A ILE 137.A N TRP 145.A O no hydrogen 2.826 N/A ASP 139.A N ARG 143.A O no hydrogen 3.109 N/A GLY 142.A N ASP 139.A O no hydrogen 2.993 N/A ARG 143.A N ASP 139.A OD1 no hydrogen 2.693 N/A ARG 143.A NE ASP 139.A OD2 no hydrogen 3.301 N/A ARG 143.A NH2 ASP 139.A OD2 no hydrogen 3.466 N/A TRP 145.A N ILE 137.A O no hydrogen 2.807 N/A TRP 145.A NE1 ASP 139.A OD2 no hydrogen 2.839 N/A LEU 146.A N VAL 158.A O no hydrogen 2.950 N/A THR 147.A N ASN 135.A O no hydrogen 2.969 N/A TRP 148.A N GLN 156.A O no hydrogen 3.304 N/A GLY 149.A N ILE 132.A O no hydrogen 2.802 N/A SER 150.A OG GLU 186.A OE1 no hydrogen 2.721 N/A PHE 151.A N ILE 185.A O no hydrogen 2.787 N/A TRP 152.A N ALA 180.A O no hydrogen 3.112 N/A ASP 153.A N ASN 128.A O no hydrogen 2.846 N/A ILE 155.A N ALA 175.A O no hydrogen 3.049 N/A GLN 156.A N TRP 148.A O no hydrogen 2.922 N/A GLN 156.A NE2 GLY 154.A O no hydrogen 3.583 N/A GLN 156.A NE2 THR 173.A OG1 no hydrogen 2.801 N/A LEU 157.A N LYS 172.A O no hydrogen 2.921 N/A VAL 158.A N LEU 146.A O no hydrogen 3.180 N/A LEU 160.A N PRO 144.A O no hydrogen 2.776 N/A ASP 161.A N THR 166.A O no hydrogen 2.846 N/A PHE 164.A N ASP 161.A O no hydrogen 2.816 N/A LYS 165.A N ASP 163.A OD1 no hydrogen 3.400 N/A LYS 165.A NZ LYS 116.A O no hydrogen 3.039 N/A LYS 165.A NZ MET 118.A O no hydrogen 3.549 N/A THR 166.A N ASP 163.A OD1 no hydrogen 3.321 N/A THR 166.A OG1 ASP 161.A OD2 no hydrogen 3.170 N/A THR 166.A OG1 ASP 163.A OD1 no hydrogen 3.504 N/A LYS 168.A N GLN 159.A O no hydrogen 2.946 N/A LYS 172.A N LEU 157.A O no hydrogen 3.027 N/A LYS 172.A NZ GLU 225.A O no hydrogen 3.513 N/A THR 173.A OG1 ASP 153.A OD2 no hydrogen 2.921 N/A ILE 174.A N ILE 155.A O no hydrogen 2.640 N/A ARG 176.A N MET 236.A O no hydrogen 2.682 N/A ARG 176.A NE ALA 237.A O no hydrogen 2.835 N/A ARG 176.A NH1 ASP 153.A OD1 no hydrogen 2.588 N/A ARG 176.A NH2 ALA 237.A O no hydrogen 3.398 N/A ARG 177.A N ASN 183.A OD1 no hydrogen 2.672 N/A ARG 177.A NE ASP 204.A OD1 no hydrogen 2.714 N/A ARG 177.A NH2 ASP 204.A OD1 no hydrogen 3.044 N/A ARG 177.A NH2 ASP 204.A OD2 no hydrogen 3.066 N/A ASN 183.A ND2 TRP 152.A O no hydrogen 2.787 N/A GLU 186.A N SER 202.A O no hydrogen 3.048 N/A ALA 187.A N ASP 133.A OD2 no hydrogen 3.136 N/A PHE 189.A N PHE 200.A O no hydrogen 2.780 N/A ILE 191.A N TYR 198.A O no hydrogen 3.113 N/A ARG 192.A NH1 LYS 222.A O no hydrogen 3.410 N/A GLU 193.A N TYR 196.A O no hydrogen 3.176 N/A TYR 196.A N GLU 193.A O no hydrogen 3.173 N/A TYR 197.A N SER 221.A O no hydrogen 2.583 N/A TYR 197.A OH GLU 140.A OE2 no hydrogen 3.159 N/A TYR 198.A N ILE 191.A O no hydrogen 3.004 N/A TYR 198.A OH GLY 294.A O no hydrogen 2.663 N/A LEU 199.A N GLY 219.A O no hydrogen 3.009 N/A PHE 200.A N PHE 189.A O no hydrogen 2.674 N/A VAL 201.A N ALA 217.A O no hydrogen 2.923 N/A SER 202.A N GLU 186.A O no hydrogen 2.879 N/A TRP 203.A N LYS 215.A O no hydrogen 2.734 N/A ASP 204.A N ALA 184.A O no hydrogen 3.213 N/A TYR 205.A N ASN 213.A OD1 no hydrogen 2.850 N/A CYS 206.A SG GLU 186.A OE2 no hydrogen 3.791 N/A CYS 207.A N TYR 273.A OH no hydrogen 2.795 N/A LYS 208.A N SER 212.A OG no hydrogen 2.981 N/A ASN 211.A N LYS 208.A O no hydrogen 3.017 N/A SER 212.A N GLY 209.A O no hydrogen 2.892 N/A SER 212.A OG GLY 209.A O no hydrogen 2.584 N/A ASN 213.A N TYR 205.A O no hydrogen 3.000 N/A TYR 214.A N TYR 205.A O no hydrogen 3.130 N/A TYR 214.A OH GLU 186.A OE2 no hydrogen 2.656 N/A LYS 215.A N TRP 203.A O no hydrogen 2.962 N/A LYS 215.A NZ ASP 204.A OD2 no hydrogen 2.644 N/A LYS 215.A NZ ASN 213.A O no hydrogen 3.128 N/A THR 216.A N ALA 245.A O no hydrogen 2.967 N/A THR 216.A OG1 ILE 254.A O no hydrogen 3.172 N/A ALA 217.A N VAL 201.A O no hydrogen 2.759 N/A VAL 218.A N GLU 242.A O no hydrogen 2.823 N/A GLY 219.A N LEU 199.A O no hydrogen 3.204 N/A ARG 220.A N VAL 229.A O no hydrogen 2.740 N/A ARG 220.A NH1 ASP 293.A O no hydrogen 2.820 N/A ARG 220.A NH1 GLY 294.A O no hydrogen 2.762 N/A ARG 220.A NH2 ASP 293.A O no hydrogen 3.221 N/A SER 221.A N TYR 197.A O no hydrogen 2.959 N/A SER 221.A OG LYS 223.A O no hydrogen 2.445 N/A SER 221.A OG GLY 226.A O no hydrogen 3.096 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.863 N/A TYR 228.A OH ILE 224.A O no hydrogen 2.746 N/A VAL 229.A N ARG 220.A O no hydrogen 2.927 N/A ASP 230.A N LYS 234.A O no hydrogen 3.025 N/A ARG 231.A N GLU 242.A OE2 no hydrogen 3.326 N/A ASN 232.A N ASP 230.A OD1 no hydrogen 3.180 N/A ASN 232.A ND2 ASN 232.A O no hydrogen 3.207 N/A GLY 233.A N ASP 230.A O no hydrogen 2.958 N/A LYS 234.A N ASP 230.A OD1 no hydrogen 2.989 N/A MET 236.A N TYR 228.A O no hydrogen 2.778 N/A ALA 237.A N ASP 235.A OD1 no hydrogen 2.788 N/A ALA 238.A N ASP 235.A O no hydrogen 2.921 N/A GLY 239.A N MET 236.A O no hydrogen 2.999 N/A GLY 240.A N ASP 235.A O no hydrogen 2.940 N/A GLY 241.A N ASP 230.A OD2 no hydrogen 3.069 N/A GLU 242.A N VAL 218.A O no hydrogen 2.767 N/A ILE 244.A N THR 216.A O no hydrogen 2.839 N/A ALA 245.A N THR 216.A O no hydrogen 3.470 N/A ARG 247.A NH1 PHE 252.A O no hydrogen 3.266 N/A ASP 248.A N TYR 251.A O no hydrogen 2.810 N/A ASP 249.A N ASP 248.A OD2 no hydrogen 2.971 N/A PHE 252.A N TYR 273.A O no hydrogen 3.044 N/A ILE 254.A N TYR 214.A O no hydrogen 3.018 N/A GLY 255.A N HIS 271.A O no hydrogen 3.009 N/A HIS 256.A N SER 202.A OG no hydrogen 2.663 N/A HIS 256.A NE2 ASP 133.A OD1 no hydrogen 2.995 N/A SER 258.A N MET 269.A O no hydrogen 2.896 N/A SER 258.A OG MET 269.A O no hydrogen 3.253 N/A TYR 260.A N TYR 267.A O no hydrogen 2.966 N/A PHE 262.A N GLN 265.A O no hydrogen 2.856 N/A GLN 265.A N PHE 262.A O no hydrogen 3.032 N/A TRP 266.A NE1 GLU 193.A OE1 no hydrogen 3.211 N/A TYR 267.A N TYR 260.A O no hydrogen 2.688 N/A PHE 268.A N ARG 286.A O no hydrogen 2.833 N/A MET 269.A N SER 258.A O no hydrogen 2.799 N/A ALA 270.A N VAL 284.A O no hydrogen 2.835 N/A HIS 271.A N GLY 255.A O no hydrogen 3.074 N/A GLY 272.A N LYS 282.A O no hydrogen 2.806 N/A TYR 273.A N GLY 253.A O no hydrogen 2.913 N/A TYR 273.A OH HIS 12.A NE2 no hydrogen 3.109 N/A ALA 274.A N ALA 280.A O no hydrogen 2.925 N/A ARG 275.A N ASN 250.A O no hydrogen 3.001 N/A ARG 275.A NH1 TYR 251.A O no hydrogen 3.392 N/A ASN 277.A N ALA 274.A O no hydrogen 3.311 N/A GLY 279.A N ALA 274.A O no hydrogen 2.705 N/A ALA 280.A N ASN 277.A O no hydrogen 2.871 N/A SER 281.A OG VAL 11.A O no hydrogen 2.918 N/A LYS 282.A N GLY 272.A O no hydrogen 2.786 N/A LYS 282.A NZ ASN 8.A O no hydrogen 2.753 N/A LYS 282.A NZ ASP 10.A OD1 no hydrogen 3.453 N/A LYS 282.A NZ ASN 277.A OD1 no hydrogen 3.490 N/A LEU 283.A N PRO 9.A O no hydrogen 3.362 N/A VAL 284.A N ALA 270.A O no hydrogen 2.894 N/A ARG 286.A N PHE 268.A O no hydrogen 2.920 N/A ARG 286.A NH2 ASP 248.A OD1 no hydrogen 2.912 N/A MET 288.A N TRP 266.A O no hydrogen 2.802 N/A ASN 289.A N VAL 297.A O no hydrogen 2.992 N/A ASN 289.A ND2 GLN 265.A OE1 no hydrogen 2.805 N/A ASP 291.A N TRP 295.A O no hydrogen 3.001 N/A GLY 294.A N ASP 291.A O no hydrogen 3.057 N/A TRP 295.A N ASP 291.A OD1 no hydrogen 2.750 N/A VAL 297.A N ASN 289.A O no hydrogen 2.706 N/A GLU 299.A N LYS 287.A O no hydrogen 3.086 N/A