Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ka4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N GLU 1.A O no hydrogen 3.250 N/A PHE 6.A N MET 2.A O no hydrogen 3.091 N/A GLU 7.A N GLU 3.A O no hydrogen 2.921 N/A GLN 8.A N LYS 4.A O no hydrogen 3.076 N/A ILE 9.A N GLU 5.A O no hydrogen 3.154 N/A ASP 10.A N PHE 6.A O no hydrogen 2.918 N/A LYS 11.A N GLU 7.A O no hydrogen 2.855 N/A SER 12.A N GLN 8.A O no hydrogen 3.229 N/A SER 12.A OG GLN 8.A O no hydrogen 3.134 N/A SER 12.A OG ILE 9.A O no hydrogen 3.499 N/A SER 12.A OG SER 14.A OG no hydrogen 2.935 N/A GLY 13.A N ASP 10.A O no hydrogen 3.259 N/A SER 14.A N ILE 9.A O no hydrogen 3.224 N/A SER 14.A OG SER 12.A OG no hydrogen 2.935 N/A TRP 15.A NE1 ASP 10.A OD1 no hydrogen 2.624 N/A ILE 18.A N SER 14.A O no hydrogen 2.863 N/A TYR 19.A N TRP 15.A O no hydrogen 2.972 N/A TYR 19.A OH ILE 260.A O no hydrogen 2.699 N/A GLN 20.A N ALA 16.A O no hydrogen 2.862 N/A ASP 21.A N ALA 17.A O no hydrogen 3.054 N/A ILE 22.A N ILE 18.A O no hydrogen 3.139 N/A ARG 23.A N TYR 19.A O no hydrogen 3.025 N/A ARG 23.A NH1 GLN 20.A OE1 no hydrogen 3.230 N/A HIS 24.A N GLN 20.A O no hydrogen 3.047 N/A GLU 25.A N ASP 21.A O no hydrogen 3.034 N/A CYS 31.A SG PHE 29.A O no hydrogen 3.612 N/A CYS 31.A SG PRO 50.A O no hydrogen 3.403 N/A ARG 32.A N ASP 52.A OD2 no hydrogen 3.000 N/A VAL 33.A N ASP 52.A OD1 no hydrogen 3.168 N/A LYS 35.A N CYS 31.A O no hydrogen 3.260 N/A LYS 35.A NZ ARG 46.A O no hydrogen 3.328 N/A LEU 36.A N VAL 33.A O no hydrogen 3.274 N/A ASN 39.A N LEU 36.A O no hydrogen 3.018 N/A ASN 39.A ND2 VAL 33.A O no hydrogen 2.819 N/A ARG 42.A N ASN 39.A O no hydrogen 3.134 N/A ARG 42.A NH1 ASN 63.A O no hydrogen 3.557 N/A ARG 42.A NH1 TYR 65.A O no hydrogen 2.794 N/A ASN 43.A N LYS 40.A O no hydrogen 3.112 N/A ASN 43.A ND2 ALA 34.A O no hydrogen 3.130 N/A ARG 44.A N GLN 84.A OE1 no hydrogen 2.967 N/A ARG 44.A NE GLY 85.A O no hydrogen 3.408 N/A ARG 44.A NH2 GLY 85.A O no hydrogen 3.412 N/A ARG 44.A NH2 PRO 86.A O no hydrogen 3.168 N/A TYR 45.A OH SER 215.A OG no hydrogen 3.344 N/A VAL 48.A N TYR 45.A O no hydrogen 3.371 N/A ASP 52.A N PRO 30.A O no hydrogen 3.096 N/A SER 54.A N PHE 51.A O no hydrogen 3.392 N/A SER 54.A OG PHE 255.A O no hydrogen 2.521 N/A ARG 55.A NH1 ASP 64.A OD1 no hydrogen 3.184 N/A ARG 55.A NH1 ASP 64.A OD2 no hydrogen 3.409 N/A ARG 55.A NH2 ASP 64.A O no hydrogen 3.517 N/A ARG 55.A NH2 ASP 64.A OD1 no hydrogen 3.501 N/A ILE 56.A N ALA 68.A O no hydrogen 2.977 N/A LEU 58.A N ASP 64.A O no hydrogen 2.829 N/A HIS 59.A N GLU 100.A OE1 no hydrogen 2.822 N/A ASP 62.A N GLN 60.A OE1 no hydrogen 2.890 N/A ASN 63.A ND2 ASN 39.A OD1 no hydrogen 3.058 N/A TYR 65.A N ASN 63.A OD1 no hydrogen 3.285 N/A TYR 65.A OH ASN 43.A OD1 no hydrogen 2.507 N/A ASN 67.A ND2 ASN 43.A OD1 no hydrogen 3.031 N/A ASN 67.A ND2 VAL 48.A O no hydrogen 3.033 N/A ALA 68.A N ILE 66.A O no hydrogen 2.721 N/A SER 69.A N LEU 82.A O no hydrogen 2.793 N/A LEU 70.A N SER 54.A O no hydrogen 2.861 N/A ILE 71.A N TYR 80.A O no hydrogen 2.728 N/A MET 73.A N ARG 78.A O no hydrogen 2.938 N/A GLN 77.A N GLU 74.A O no hydrogen 3.003 N/A ARG 78.A N MET 73.A O no hydrogen 3.128 N/A ARG 78.A NH1 ASP 228.A OD1 no hydrogen 3.114 N/A ARG 78.A NH1 ASP 228.A OD2 no hydrogen 3.160 N/A TYR 80.A N ILE 71.A O no hydrogen 2.901 N/A TYR 80.A OH ASP 228.A OD2 no hydrogen 2.569 N/A TYR 80.A OH THR 229.A OG1 no hydrogen 3.004 N/A ILE 81.A N VAL 210.A O no hydrogen 2.849 N/A LEU 82.A N SER 69.A O no hydrogen 2.900 N/A THR 83.A N VAL 212.A O no hydrogen 3.137 N/A THR 83.A OG1 ASN 67.A O no hydrogen 2.588 N/A THR 83.A OG1 GLN 84.A O no hydrogen 3.485 N/A GLN 84.A N ASN 67.A O no hydrogen 3.392 N/A GLN 84.A NE2 ARG 42.A O no hydrogen 2.932 N/A GLY 85.A N SER 215.A O no hydrogen 3.158 N/A LEU 87.A N THR 90.A OG1 no hydrogen 2.744 N/A ASN 89.A ND2 ASN 41.A O no hydrogen 3.111 N/A THR 90.A N LEU 87.A O no hydrogen 2.983 N/A THR 90.A OG1 LEU 87.A O no hydrogen 3.411 N/A CYS 91.A SG LEU 87.A O no hydrogen 3.356 N/A PHE 94.A N THR 90.A O no hydrogen 2.980 N/A TRP 95.A N CYS 91.A O no hydrogen 3.253 N/A TRP 95.A NE1 TYR 123.A O no hydrogen 2.824 N/A GLU 96.A N GLY 92.A O no hydrogen 2.958 N/A MET 97.A N HIS 93.A O no hydrogen 2.968 N/A VAL 98.A N PHE 94.A O no hydrogen 3.046 N/A TRP 99.A N TRP 95.A O no hydrogen 2.898 N/A GLU 100.A N GLU 96.A O no hydrogen 2.845 N/A GLN 101.A N MET 97.A O no hydrogen 2.819 N/A LYS 102.A N TRP 99.A O no hydrogen 3.015 N/A SER 103.A N VAL 98.A O no hydrogen 3.039 N/A SER 103.A OG PRO 209.A O no hydrogen 2.740 N/A VAL 106.A N LEU 171.A O no hydrogen 2.821 N/A VAL 107.A N VAL 211.A O no hydrogen 2.656 N/A MET 108.A N PHE 173.A O no hydrogen 2.834 N/A LEU 109.A N HIS 213.A O no hydrogen 3.123 N/A ASN 110.A ND2 ARG 111.A O no hydrogen 2.931 N/A ARG 111.A N GLU 114.A OE2 no hydrogen 2.952 N/A ARG 111.A NH1 ASP 180.A OD1 no hydrogen 3.441 N/A GLU 114.A N SER 117.A O no hydrogen 3.229 N/A SER 117.A OG GLU 114.A O no hydrogen 2.739 N/A LYS 119.A N VAL 112.A O no hydrogen 3.302 N/A CYS 120.A SG ALA 121.A O no hydrogen 3.198 N/A ALA 121.A N PRO 86.A O no hydrogen 3.225 N/A GLN 122.A NE2 TRP 124.A O no hydrogen 3.039 N/A TYR 123.A OH HIS 172.A NE2 no hydrogen 2.516 N/A TYR 123.A OH HIS 213.A NE2 no hydrogen 2.782 N/A MET 132.A N LEU 141.A O no hydrogen 2.775 N/A PHE 134.A N LEU 139.A O no hydrogen 3.486 N/A THR 137.A N PHE 134.A O no hydrogen 3.152 N/A THR 137.A OG1 GLY 92.A O no hydrogen 3.562 N/A THR 137.A OG1 ASP 136.A OD1 no hydrogen 3.358 N/A LYS 140.A N GLU 160.A O no hydrogen 2.850 N/A LEU 141.A N MET 132.A O no hydrogen 2.845 N/A THR 142.A N GLU 158.A O no hydrogen 3.107 N/A ILE 144.A N GLN 156.A O no hydrogen 2.900 N/A SER 145.A N GLN 156.A O no hydrogen 3.405 N/A SER 145.A OG GLN 156.A OE1 no hydrogen 3.011 N/A ASP 147.A N VAL 154.A O no hydrogen 2.737 N/A LYS 149.A N TYR 152.A O no hydrogen 2.962 N/A THR 153.A N HIS 174.A O no hydrogen 2.753 N/A VAL 154.A N ASP 147.A O no hydrogen 3.095 N/A ARG 155.A N HIS 172.A O no hydrogen 2.904 N/A ARG 155.A NE GLU 146.A OE1 no hydrogen 3.079 N/A ARG 155.A NH1 HIS 172.A ND1 no hydrogen 3.375 N/A ARG 155.A NH1 HIS 174.A ND1 no hydrogen 3.279 N/A GLN 156.A N SER 145.A O no hydrogen 2.898 N/A LEU 157.A N ILE 170.A O no hydrogen 2.767 N/A GLU 158.A N THR 142.A O no hydrogen 3.003 N/A LEU 159.A N ARG 168.A O no hydrogen 2.788 N/A GLU 160.A N LYS 140.A O no hydrogen 2.840 N/A ASN 161.A N GLU 166.A O no hydrogen 2.749 N/A LEU 162.A N ASN 138.A O no hydrogen 2.670 N/A THR 163.A N ASN 161.A OD1 no hydrogen 3.169 N/A THR 163.A OG1 ASN 138.A OD1 no hydrogen 2.564 N/A GLN 165.A N ASN 161.A O no hydrogen 2.719 N/A ARG 168.A N LEU 159.A O no hydrogen 2.804 N/A ARG 168.A NE GLU 166.A OE2 no hydrogen 3.432 N/A ARG 168.A NH1 TRP 99.A O no hydrogen 2.837 N/A ILE 170.A N LEU 157.A O no hydrogen 2.681 N/A LEU 171.A N ARG 104.A O no hydrogen 2.978 N/A HIS 172.A N ARG 155.A O no hydrogen 2.873 N/A HIS 172.A NE2 TYR 123.A OH no hydrogen 2.516 N/A PHE 173.A N VAL 106.A O no hydrogen 2.777 N/A HIS 174.A N THR 153.A O no hydrogen 2.785 N/A HIS 174.A NE2 ASN 110.A O no hydrogen 2.660 N/A TYR 175.A N MET 108.A O no hydrogen 2.802 N/A TYR 175.A OH SER 189.A OG no hydrogen 2.747 N/A THR 176.A N TYR 151.A O no hydrogen 3.022 N/A THR 176.A OG1 TYR 151.A O no hydrogen 3.280 N/A TRP 178.A NE1 GLY 182.A O no hydrogen 3.163 N/A ALA 188.A N SER 186.A OG no hydrogen 3.255 N/A SER 189.A OG TYR 175.A OH no hydrogen 2.747 N/A LEU 191.A N PRO 187.A O no hydrogen 2.850 N/A ASN 192.A N ALA 188.A O no hydrogen 2.971 N/A PHE 193.A N SER 189.A O no hydrogen 2.935 N/A LEU 194.A N PHE 190.A O no hydrogen 3.004 N/A PHE 195.A N LEU 191.A O no hydrogen 2.890 N/A LYS 196.A N ASN 192.A O no hydrogen 3.027 N/A LYS 196.A NZ GLU 199.A OE2 no hydrogen 3.247 N/A VAL 197.A N PHE 193.A O no hydrogen 3.059 N/A ARG 198.A N LEU 194.A O no hydrogen 2.872 N/A ARG 198.A NE ASP 228.A OD1 no hydrogen 2.832 N/A ARG 198.A NH2 ASP 228.A O no hydrogen 3.035 N/A ARG 198.A NH2 ASP 228.A OD1 no hydrogen 2.818 N/A GLU 199.A N PHE 195.A O no hydrogen 2.910 N/A SER 200.A N VAL 197.A O no hydrogen 3.347 N/A SER 200.A OG VAL 197.A O no hydrogen 2.764 N/A SER 200.A OG SER 202.A OG no hydrogen 2.783 N/A GLY 201.A N ARG 198.A O no hydrogen 3.128 N/A SER 202.A N SER 200.A OG no hydrogen 3.281 N/A SER 202.A OG SER 200.A OG no hydrogen 2.783 N/A SER 204.A N GLY 201.A O no hydrogen 3.156 N/A SER 204.A OG GLU 206.A OE1 no hydrogen 2.236 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.942 N/A HIS 207.A N SER 204.A O no hydrogen 3.125 N/A GLY 208.A N LYS 102.A O no hydrogen 2.838 N/A VAL 211.A N GLY 105.A O no hydrogen 3.109 N/A VAL 212.A N ILE 81.A O no hydrogen 2.778 N/A HIS 213.A N VAL 107.A O no hydrogen 2.947 N/A HIS 213.A ND1 CYS 214.A O no hydrogen 3.305 N/A HIS 213.A NE2 TYR 123.A OH no hydrogen 2.782 N/A CYS 214.A SG SER 221.A OG no hydrogen 2.993 N/A SER 215.A OG TYR 45.A OH no hydrogen 3.344 N/A SER 215.A OG LYS 119.A O no hydrogen 3.380 N/A ARG 220.A NH1 LEU 109.A O no hydrogen 2.958 N/A ARG 220.A NH1 GLU 114.A OE1 no hydrogen 3.419 N/A ARG 220.A NH1 GLU 114.A OE2 no hydrogen 2.687 N/A ARG 220.A NH2 GLU 114.A OE1 no hydrogen 2.881 N/A ARG 220.A NH2 GLU 114.A OE2 no hydrogen 3.507 N/A GLY 222.A N ILE 218.A O no hydrogen 3.234 N/A THR 223.A N GLY 219.A O no hydrogen 3.393 N/A THR 223.A OG1 GLY 219.A O no hydrogen 3.516 N/A PHE 224.A N ARG 220.A O no hydrogen 3.223 N/A CYS 225.A N SER 221.A O no hydrogen 3.340 N/A CYS 225.A SG SER 221.A O no hydrogen 3.472 N/A LEU 226.A N GLY 222.A O no hydrogen 2.821 N/A ALA 227.A N THR 223.A O no hydrogen 2.959 N/A ASP 228.A N PHE 224.A O no hydrogen 3.007 N/A THR 229.A N CYS 225.A O no hydrogen 2.831 N/A THR 229.A OG1 TYR 80.A OH no hydrogen 3.004 N/A THR 229.A OG1 CYS 225.A O no hydrogen 3.210 N/A CYS 230.A N LEU 226.A O no hydrogen 2.946 N/A CYS 230.A SG LEU 226.A O no hydrogen 3.183 N/A LEU 231.A N ALA 227.A O no hydrogen 3.049 N/A LEU 232.A N ASP 228.A O no hydrogen 3.184 N/A LEU 233.A N THR 229.A O no hydrogen 3.054 N/A MET 234.A N CYS 230.A O no hydrogen 3.390 N/A LYS 236.A N LEU 232.A O no hydrogen 3.357 N/A LYS 236.A N LEU 233.A O no hydrogen 3.241 N/A LYS 236.A NZ GLU 75.A O no hydrogen 3.412 N/A ARG 237.A NE GLU 75.A OE2 no hydrogen 2.710 N/A ARG 237.A NH1 SER 242.A OG no hydrogen 3.074 N/A ARG 237.A NH2 GLU 75.A OE1 no hydrogen 2.868 N/A ARG 237.A NH2 GLU 75.A OE2 no hydrogen 3.130 N/A SER 241.A N ASP 239.A OD1 no hydrogen 3.255 N/A SER 241.A OG ASP 239.A OD1 no hydrogen 2.595 N/A SER 241.A OG ASP 239.A OD2 no hydrogen 2.703 N/A SER 242.A N ASP 239.A O no hydrogen 3.192 N/A SER 242.A OG ASP 239.A O no hydrogen 2.689 N/A LYS 246.A N ASP 244.A OD1 no hydrogen 3.051 N/A LYS 247.A NZ ASP 244.A OD2 no hydrogen 2.933 N/A VAL 248.A N ASP 244.A O no hydrogen 2.969 N/A LEU 249.A N ILE 245.A O no hydrogen 2.870 N/A LEU 250.A N LYS 246.A O no hydrogen 2.914 N/A GLU 251.A N LYS 247.A O no hydrogen 2.944 N/A MET 252.A N VAL 248.A O no hydrogen 2.923 N/A ARG 253.A N LEU 249.A O no hydrogen 2.832 N/A ARG 253.A NE LEU 259.A O no hydrogen 2.948 N/A ARG 253.A NH1 LEU 259.A O no hydrogen 2.762 N/A ARG 253.A NH1 ILE 260.A O no hydrogen 2.992 N/A LYS 254.A N GLU 251.A O no hydrogen 3.263 N/A LYS 254.A NZ GLU 251.A OE1 no hydrogen 2.932 N/A PHE 255.A N MET 252.A O no hydrogen 3.025 N/A ARG 256.A NE GLY 217.A O no hydrogen 2.951 N/A ARG 256.A NH1 ASN 67.A OD1 no hydrogen 3.208 N/A ARG 256.A NH1 SER 69.A OG no hydrogen 2.846 N/A ARG 256.A NH2 ASN 67.A OD1 no hydrogen 2.996 N/A ARG 256.A NH2 ALA 216.A O no hydrogen 2.969 N/A ILE 260.A N ILE 218.A O no hydrogen 2.923 N/A GLN 261.A N GLN 265.A OE1 no hydrogen 2.692 N/A GLN 265.A N THR 262.A OG1 no hydrogen 3.095 N/A LEU 266.A N THR 262.A O no hydrogen 3.127 N/A ARG 267.A N ALA 263.A O no hydrogen 3.014 N/A ARG 267.A NE ASP 10.A OD1 no hydrogen 3.072 N/A ARG 267.A NH2 ASP 10.A OD1 no hydrogen 3.567 N/A ARG 267.A NH2 ASP 10.A OD2 no hydrogen 2.917 N/A PHE 268.A N ASP 264.A O no hydrogen 2.980 N/A SER 269.A N GLN 265.A O no hydrogen 2.904 N/A SER 269.A OG GLN 265.A O no hydrogen 2.871 N/A TYR 270.A N LEU 266.A O no hydrogen 3.113 N/A TYR 270.A OH GLU 5.A OE1 no hydrogen 2.991 N/A LEU 271.A N ARG 267.A O no hydrogen 3.048 N/A ALA 272.A N PHE 268.A O no hydrogen 2.875 N/A VAL 273.A N SER 269.A O no hydrogen 3.048 N/A ILE 274.A N TYR 270.A O no hydrogen 3.007 N/A GLU 275.A N LEU 271.A O no hydrogen 3.002 N/A GLY 276.A N ALA 272.A O no hydrogen 2.709 N/A ALA 277.A N VAL 273.A O no hydrogen 2.779 N/A LYS 278.A N ILE 274.A O no hydrogen 3.106 N/A PHE 279.A N GLU 275.A O no hydrogen 2.871 N/A ILE 280.A N ALA 277.A O no hydrogen 2.971 N/A