Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6up5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 225.A OD1 no hydrogen 2.856 N/A ARG 2.A NH1 GLN 200.A O no hydrogen 3.212 N/A ARG 2.A NH2 ASP 225.A OD1 no hydrogen 3.364 N/A PHE 4.A N ASP 34.A O no hydrogen 3.244 N/A PHE 5.A N ASP 225.A O no hydrogen 3.045 N/A VAL 6.A N GLU 36.A O no hydrogen 2.871 N/A GLY 7.A N PHE 227.A O no hydrogen 2.823 N/A GLY 8.A N VAL 38.A O no hydrogen 2.753 N/A ASN 9.A N VAL 229.A O no hydrogen 2.882 N/A TRP 10.A N ALA 40.A O no hydrogen 3.190 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 3.056 N/A LYS 11.A NZ GLU 95.A OE2 no hydrogen 2.767 N/A ASN 13.A ND2 TRP 10.A O no hydrogen 2.904 N/A ARG 15.A N SER 18.A OG no hydrogen 3.180 N/A ARG 15.A NH1 GLY 14.A O no hydrogen 2.937 N/A SER 18.A OG ARG 15.A O no hydrogen 3.314 N/A LEU 19.A N ARG 15.A O no hydrogen 2.831 N/A GLY 20.A N LYS 16.A O no hydrogen 2.793 N/A GLU 21.A N GLN 17.A O no hydrogen 3.153 N/A LEU 22.A N SER 18.A O no hydrogen 3.053 N/A ILE 23.A N LEU 19.A O no hydrogen 2.836 N/A GLY 24.A N GLY 20.A O no hydrogen 3.050 N/A THR 25.A N GLU 21.A O no hydrogen 3.181 N/A THR 25.A OG1 GLU 21.A O no hydrogen 3.410 N/A LEU 26.A N LEU 22.A O no hydrogen 3.043 N/A ASN 27.A N ILE 23.A O no hydrogen 2.774 N/A ASN 27.A ND2 LYS 52.A O no hydrogen 2.911 N/A ALA 28.A N GLY 24.A O no hydrogen 3.013 N/A ALA 29.A N LEU 26.A O no hydrogen 3.177 N/A THR 35.A N PRO 32.A O no hydrogen 3.085 N/A THR 35.A OG1 ASP 34.A OD1 no hydrogen 2.989 N/A GLU 36.A N PHE 4.A O no hydrogen 2.705 N/A VAL 38.A N VAL 6.A O no hydrogen 3.106 N/A CYS 39.A N ALA 58.A O no hydrogen 2.996 N/A ALA 40.A N GLY 8.A O no hydrogen 2.776 N/A TYR 45.A N PRO 42.A O no hydrogen 2.871 N/A ILE 46.A N THR 43.A O no hydrogen 3.474 N/A ALA 49.A N TYR 45.A O no hydrogen 2.815 N/A ARG 50.A N ILE 46.A O no hydrogen 2.959 N/A ARG 50.A NE ARG 50.A O no hydrogen 2.812 N/A ARG 50.A NH1 ILE 57.A O no hydrogen 2.868 N/A ARG 50.A NH2 LEU 53.A O no hydrogen 2.803 N/A ARG 50.A NH2 ASP 54.A O no hydrogen 2.998 N/A ARG 50.A NH2 ILE 57.A O no hydrogen 3.184 N/A GLN 51.A N ASP 47.A O no hydrogen 2.964 N/A GLN 51.A NE2 ASP 47.A OD1 no hydrogen 3.041 N/A LYS 52.A N PHE 48.A O no hydrogen 3.043 N/A LEU 53.A N ALA 49.A O no hydrogen 2.863 N/A ASP 54.A N ASN 27.A OD1 no hydrogen 2.748 N/A LYS 56.A NZ ASN 27.A O no hydrogen 2.457 N/A LYS 56.A NZ ALA 29.A O no hydrogen 2.706 N/A ILE 57.A N ASP 54.A O no hydrogen 3.129 N/A ALA 58.A N VAL 37.A O no hydrogen 3.118 N/A ALA 60.A N CYS 39.A O no hydrogen 2.882 N/A ALA 61.A N TRP 88.A O no hydrogen 3.043 N/A GLN 62.A NE2 LYS 11.A O no hydrogen 3.007 N/A GLN 62.A NE2 ALA 40.A O no hydrogen 2.867 N/A ASN 63.A ND2 GLU 102.A OE2 no hydrogen 3.268 N/A CYS 64.A SG TYR 65.A O no hydrogen 3.430 N/A TYR 65.A N ILE 76.A O no hydrogen 2.869 N/A LYS 66.A NZ GLN 109.A OE1 no hydrogen 2.798 N/A GLU 75.A N PHE 72.A O no hydrogen 3.078 N/A SER 77.A OG THR 68.A O no hydrogen 2.967 N/A MET 80.A N SER 77.A OG no hydrogen 3.362 N/A ILE 81.A N SER 77.A O no hydrogen 3.049 N/A LYS 82.A N PRO 78.A O no hydrogen 2.896 N/A LYS 82.A NZ GLU 117.A O no hydrogen 2.669 N/A ASP 83.A N GLY 79.A O no hydrogen 2.966 N/A CYS 84.A N MET 80.A O no hydrogen 2.996 N/A CYS 84.A N ILE 81.A O no hydrogen 3.203 N/A CYS 84.A SG MET 80.A O no hydrogen 3.496 N/A GLY 85.A N LYS 82.A O no hydrogen 2.937 N/A ALA 86.A N ILE 81.A O no hydrogen 3.145 N/A THR 87.A N VAL 59.A O no hydrogen 3.035 N/A TRP 88.A N VAL 59.A O no hydrogen 3.409 N/A VAL 89.A N GLY 120.A O no hydrogen 2.902 N/A VAL 90.A N ALA 61.A O no hydrogen 2.888 N/A LEU 91.A N ILE 122.A O no hydrogen 2.970 N/A SER 94.A N GLU 163.A OE1 no hydrogen 2.827 N/A SER 94.A OG GLU 163.A OE2 no hydrogen 2.883 N/A GLU 95.A N HIS 93.A ND1 no hydrogen 3.153 N/A ARG 96.A NE GLU 102.A OE2 no hydrogen 3.019 N/A ARG 97.A N HIS 93.A O no hydrogen 2.991 N/A ARG 97.A NE GLY 92.A O no hydrogen 2.939 N/A ARG 97.A NH1 ASP 104.A OD1 no hydrogen 2.783 N/A ARG 97.A NH2 CYS 124.A O no hydrogen 2.947 N/A HIS 98.A N SER 94.A O no hydrogen 2.761 N/A VAL 99.A N GLU 95.A O no hydrogen 2.946 N/A PHE 100.A N GLU 95.A O no hydrogen 3.175 N/A GLU 102.A N ARG 96.A O no hydrogen 2.982 N/A LEU 106.A N SER 103.A OG no hydrogen 2.974 N/A ILE 107.A N SER 103.A O no hydrogen 2.943 N/A GLY 108.A N ASP 104.A O no hydrogen 2.808 N/A GLN 109.A N GLU 105.A O no hydrogen 3.109 N/A LYS 110.A N LEU 106.A O no hydrogen 2.896 N/A LYS 110.A NZ ASN 63.A OD1 no hydrogen 3.058 N/A LYS 110.A NZ CYS 64.A O no hydrogen 2.898 N/A LYS 110.A NZ GLU 102.A OE1 no hydrogen 3.028 N/A LYS 110.A NZ GLU 102.A OE2 no hydrogen 3.229 N/A VAL 111.A N ILE 107.A O no hydrogen 2.857 N/A ALA 112.A N GLY 108.A O no hydrogen 3.031 N/A HIS 113.A N GLN 109.A O no hydrogen 3.088 N/A ALA 114.A N LYS 110.A O no hydrogen 2.893 N/A LEU 115.A N VAL 111.A O no hydrogen 3.066 N/A ALA 116.A N ALA 112.A O no hydrogen 2.999 N/A GLU 117.A N HIS 113.A O no hydrogen 3.011 N/A GLY 118.A N LEU 115.A O no hydrogen 3.052 N/A LEU 119.A N ALA 114.A O no hydrogen 3.131 N/A GLY 120.A N THR 87.A O no hydrogen 2.888 N/A VAL 121.A N LYS 157.A O no hydrogen 2.929 N/A ILE 122.A N VAL 89.A O no hydrogen 3.024 N/A ALA 123.A N VAL 159.A O no hydrogen 2.854 N/A CYS 124.A N LEU 91.A O no hydrogen 2.817 N/A CYS 124.A SG LEU 91.A O no hydrogen 3.881 N/A ILE 125.A N ALA 161.A O no hydrogen 3.013 N/A GLY 126.A N GLN 144.A OE1 no hydrogen 2.863 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.898 N/A LYS 128.A N GLU 131.A OE1 no hydrogen 2.969 N/A ARG 132.A N LYS 128.A O no hydrogen 3.100 N/A ARG 132.A NH1 GLU 127.A OE2 no hydrogen 2.705 N/A GLU 133.A N LEU 129.A O no hydrogen 2.962 N/A ALA 134.A N ASP 130.A O no hydrogen 2.881 N/A ALA 134.A N GLU 131.A O no hydrogen 3.349 N/A GLY 135.A N ARG 132.A O no hydrogen 3.148 N/A ILE 136.A N GLU 131.A O no hydrogen 3.126 N/A THR 137.A OG1 GLU 127.A OE2 no hydrogen 2.646 N/A VAL 140.A N ILE 136.A O no hydrogen 3.032 N/A VAL 141.A N THR 137.A O no hydrogen 3.050 N/A PHE 142.A N GLU 138.A O no hydrogen 3.047 N/A GLU 143.A N LYS 139.A O no hydrogen 3.046 N/A GLN 144.A N VAL 140.A O no hydrogen 3.073 N/A GLN 144.A NE2 GLY 126.A O no hydrogen 3.441 N/A THR 145.A N VAL 141.A O no hydrogen 3.013 N/A THR 145.A OG1 VAL 141.A O no hydrogen 2.644 N/A LYS 146.A N PHE 142.A O no hydrogen 2.936 N/A VAL 147.A N GLU 143.A O no hydrogen 3.192 N/A ILE 148.A N GLN 144.A O no hydrogen 3.275 N/A ALA 149.A N THR 145.A O no hydrogen 2.766 N/A ASP 150.A N LYS 146.A O no hydrogen 2.789 N/A ASN 151.A N ILE 148.A O no hydrogen 3.081 N/A ASN 151.A ND2 VAL 147.A O no hydrogen 2.922 N/A VAL 152.A N ALA 149.A O no hydrogen 3.199 N/A SER 156.A N ASP 154.A OD1 no hydrogen 3.011 N/A SER 156.A OG ASP 154.A OD1 no hydrogen 2.814 N/A SER 156.A OG ASP 154.A OD2 no hydrogen 2.890 N/A VAL 158.A N TRP 155.A O no hydrogen 3.180 N/A VAL 159.A N VAL 121.A O no hydrogen 2.888 N/A LEU 160.A N ARG 203.A O no hydrogen 3.076 N/A ALA 161.A N ALA 123.A O no hydrogen 3.044 N/A TYR 162.A N ILE 205.A O no hydrogen 2.974 N/A TYR 162.A OH GLU 127.A OE1 no hydrogen 2.589 N/A TYR 162.A OH GLU 127.A OE2 no hydrogen 3.340 N/A GLU 163.A N ILE 125.A O no hydrogen 2.838 N/A TRP 166.A N GLU 127.A O no hydrogen 2.972 N/A TRP 166.A NE1 TYR 162.A OH no hydrogen 3.015 N/A ALA 167.A N PRO 164.A O no hydrogen 2.949 N/A ILE 168.A N VAL 165.A O no hydrogen 3.180 N/A THR 170.A OG1 TRP 166.A O no hydrogen 2.603 N/A LYS 172.A N THR 170.A OG1 no hydrogen 3.300 N/A THR 175.A N GLN 178.A OE1 no hydrogen 2.920 N/A GLN 178.A N THR 175.A OG1 no hydrogen 3.046 N/A ALA 179.A N THR 175.A O no hydrogen 3.041 N/A GLN 180.A N PRO 176.A O no hydrogen 3.013 N/A GLN 180.A NE2 ASP 223.A OD2 no hydrogen 2.927 N/A GLU 181.A N GLN 177.A O no hydrogen 2.949 N/A HIS 183.A N ALA 179.A O no hydrogen 2.931 N/A HIS 183.A ND1 ASP 223.A O no hydrogen 2.970 N/A GLU 184.A N GLN 180.A O no hydrogen 2.907 N/A LYS 185.A N GLU 181.A O no hydrogen 3.155 N/A LYS 185.A NZ GLU 181.A O no hydrogen 3.299 N/A LEU 186.A N VAL 182.A O no hydrogen 3.026 N/A ARG 187.A N HIS 183.A O no hydrogen 3.109 N/A ARG 187.A NE ASP 223.A OD1 no hydrogen 2.811 N/A ARG 187.A NH1 ALA 199.A O no hydrogen 2.765 N/A ARG 187.A NH1 THR 202.A O no hydrogen 2.903 N/A ARG 187.A NH2 ASP 223.A O no hydrogen 3.256 N/A ARG 187.A NH2 ASP 225.A OD2 no hydrogen 2.524 N/A GLY 188.A N GLU 184.A O no hydrogen 3.041 N/A TRP 189.A N LYS 185.A O no hydrogen 3.014 N/A LEU 190.A N LEU 186.A O no hydrogen 2.973 N/A LYS 191.A N ARG 187.A O no hydrogen 2.908 N/A SER 192.A N GLY 188.A O no hydrogen 2.977 N/A SER 192.A OG GLY 188.A O no hydrogen 3.199 N/A ASN 193.A N TRP 189.A O no hydrogen 2.847 N/A ASN 193.A ND2 TRP 189.A O no hydrogen 2.930 N/A VAL 194.A N LEU 190.A O no hydrogen 3.046 N/A SER 195.A N LEU 190.A O no hydrogen 3.122 N/A VAL 198.A N SER 195.A OG no hydrogen 3.080 N/A ALA 199.A N SER 195.A O no hydrogen 3.179 N/A GLN 200.A N ASP 196.A O no hydrogen 3.096 N/A GLN 200.A NE2 ASP 196.A O no hydrogen 2.728 N/A SER 201.A N ALA 197.A O no hydrogen 3.070 N/A SER 201.A OG ALA 197.A O no hydrogen 2.600 N/A SER 201.A OG VAL 198.A O no hydrogen 3.380 N/A THR 202.A N VAL 198.A O no hydrogen 3.005 N/A THR 202.A OG1 VAL 198.A O no hydrogen 2.547 N/A ARG 203.A NH1 LYS 3.A O no hydrogen 2.758 N/A ARG 203.A NH1 GLU 36.A OE1 no hydrogen 3.041 N/A ARG 203.A NH2 GLU 36.A OE1 no hydrogen 2.946 N/A ILE 204.A N ASP 225.A OD2 no hydrogen 2.827 N/A ILE 205.A N LEU 160.A O no hydrogen 2.696 N/A TYR 206.A N GLY 226.A O no hydrogen 2.798 N/A GLY 207.A N TYR 162.A O no hydrogen 2.666 N/A THR 211.A N THR 214.A OG1 no hydrogen 3.101 N/A THR 211.A OG1 THR 214.A OG1 no hydrogen 3.408 N/A GLY 212.A N GLU 237.A OE2 no hydrogen 2.756 N/A THR 214.A N THR 211.A O no hydrogen 3.175 N/A THR 214.A OG1 THR 211.A O no hydrogen 3.522 N/A THR 214.A OG1 THR 211.A OG1 no hydrogen 3.408 N/A CYS 215.A SG GLY 212.A O no hydrogen 3.621 N/A CYS 215.A SG ASP 240.A O no hydrogen 3.758 N/A LYS 216.A NZ GLN 246.A O no hydrogen 3.191 N/A LEU 218.A N THR 214.A O no hydrogen 3.325 N/A ALA 219.A N CYS 215.A O no hydrogen 2.891 N/A SER 220.A N LYS 216.A O no hydrogen 3.065 N/A SER 220.A OG GLU 217.A O no hydrogen 2.669 N/A GLN 221.A N LEU 218.A O no hydrogen 3.134 N/A GLN 221.A NE2 GLU 217.A O no hydrogen 3.351 N/A ASP 223.A N GLN 180.A OE1 no hydrogen 2.886 N/A VAL 224.A N GLN 221.A O no hydrogen 3.025 N/A ASP 225.A N ILE 204.A O no hydrogen 3.022 N/A PHE 227.A N PHE 5.A O no hydrogen 2.986 N/A LEU 228.A N TYR 206.A O no hydrogen 2.988 N/A VAL 229.A N GLY 7.A O no hydrogen 2.733 N/A SER 233.A N GLY 230.A O no hydrogen 2.947 N/A SER 233.A OG ASN 9.A O no hydrogen 3.179 N/A SER 233.A OG GLY 230.A O no hydrogen 2.635 N/A LEU 234.A N GLY 231.A O no hydrogen 3.307 N/A LYS 235.A N ALA 232.A O no hydrogen 3.265 N/A PHE 238.A N LYS 235.A O no hydrogen 2.932 N/A VAL 239.A N PRO 236.A O no hydrogen 2.884 N/A ILE 241.A N GLU 237.A O no hydrogen 3.287 N/A ILE 242.A N PHE 238.A O no hydrogen 2.914 N/A ASN 243.A N VAL 239.A O no hydrogen 2.902 N/A ALA 244.A N ILE 241.A O no hydrogen 3.177 N/A LYS 245.A NZ ALA 219.A O no hydrogen 2.906 N/A GLN 246.A N ASN 243.A O no hydrogen 2.981 N/A GLN 246.A NE2 ASP 34.A OD1 no hydrogen 3.103 N/A