Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kwe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASP 75.A OD2 no hydrogen 2.831 N/A ALA 5.A N THR 28.A O no hydrogen 2.765 N/A ILE 6.A N VAL 76.A O no hydrogen 2.887 N/A VAL 7.A N ALA 30.A O no hydrogen 3.022 N/A THR 8.A N VAL 78.A O no hydrogen 3.235 N/A ASN 9.A N HIS 32.A ND1 no hydrogen 2.963 N/A ASN 9.A ND2 ASN 80.A O no hydrogen 2.920 N/A VAL 10.A N HIS 32.A O no hydrogen 2.845 N/A LYS 11.A N ASP 33.A OD1 no hydrogen 3.388 N/A LYS 11.A NZ SER 35.A OG no hydrogen 2.992 N/A HIS 12.A N ASN 9.A O no hydrogen 2.932 N/A HIS 12.A ND1 SER 184.A OG no hydrogen 2.729 N/A GLY 14.A N ASN 80.A OD1 no hydrogen 2.960 N/A GLY 15.A N HIS 12.A O no hydrogen 2.817 N/A GLY 17.A N GLN 215.A OE1 no hydrogen 2.876 N/A SER 18.A N GLY 14.A O no hydrogen 3.099 N/A SER 18.A OG GLY 14.A O no hydrogen 2.728 N/A ALA 19.A N GLY 15.A O no hydrogen 2.867 N/A LEU 20.A N MET 16.A O no hydrogen 2.857 N/A ARG 21.A N GLY 17.A O no hydrogen 3.217 N/A ARG 21.A NE GLU 220.A OE2 no hydrogen 2.982 N/A ARG 21.A NH1 ARG 21.A O no hydrogen 3.007 N/A LEU 22.A N SER 18.A O no hydrogen 2.956 N/A SER 23.A N ALA 19.A O no hydrogen 2.964 N/A GLU 24.A N LEU 20.A O no hydrogen 3.019 N/A ALA 25.A N ARG 21.A O no hydrogen 3.006 N/A GLY 26.A N SER 23.A O no hydrogen 2.961 N/A HIS 27.A N LEU 22.A O no hydrogen 3.045 N/A HIS 27.A ND1 LEU 22.A O no hydrogen 3.137 N/A THR 28.A N ALA 3.A O no hydrogen 2.845 N/A ALA 30.A N ALA 5.A O no hydrogen 2.790 N/A CYS 31.A N LYS 53.A O no hydrogen 2.887 N/A CYS 31.A SG VAL 29.A O no hydrogen 3.660 N/A HIS 32.A N VAL 7.A O no hydrogen 2.949 N/A SER 35.A N ASP 33.A OD2 no hydrogen 2.955 N/A SER 35.A OG ASP 33.A OD2 no hydrogen 2.667 N/A PHE 36.A N ASP 33.A O no hydrogen 2.989 N/A LYS 37.A N GLU 34.A O no hydrogen 3.369 N/A GLN 38.A N SER 35.A O no hydrogen 3.042 N/A LYS 39.A NZ GLU 43.A OE2 no hydrogen 2.553 N/A LEU 42.A N GLN 38.A O no hydrogen 3.050 N/A GLU 43.A N LYS 39.A O no hydrogen 2.923 N/A ALA 44.A N ASP 40.A O no hydrogen 2.971 N/A PHE 45.A N GLU 41.A O no hydrogen 3.068 N/A ALA 46.A N LEU 42.A O no hydrogen 2.924 N/A GLU 47.A N GLU 43.A O no hydrogen 2.945 N/A THR 48.A N ALA 44.A O no hydrogen 3.046 N/A THR 48.A OG1 ALA 44.A O no hydrogen 3.158 N/A TYR 49.A N PHE 45.A O no hydrogen 2.876 N/A GLN 51.A N GLN 51.A OE1 no hydrogen 2.714 N/A LEU 52.A N TYR 49.A O no hydrogen 2.895 N/A LYS 53.A N VAL 29.A O no hydrogen 2.950 N/A MET 55.A N CYS 31.A O no hydrogen 2.824 N/A GLU 57.A N GLU 57.A OE2 no hydrogen 2.809 N/A GLN 58.A N GLU 62.A OE2 no hydrogen 2.934 N/A GLN 58.A NE2 ASP 33.A O no hydrogen 3.014 N/A GLN 58.A NE2 SER 56.A O no hydrogen 3.060 N/A GLU 59.A N GLU 62.A OE2 no hydrogen 2.974 N/A LEU 63.A N GLU 59.A O no hydrogen 2.905 N/A ILE 64.A N PRO 60.A O no hydrogen 3.077 N/A GLU 65.A N.A ALA 61.A O no hydrogen 3.001 N/A GLU 65.A N.B ALA 61.A O no hydrogen 3.032 N/A ALA 66.A N GLU 62.A O no hydrogen 2.895 N/A VAL 67.A N LEU 63.A O no hydrogen 3.037 N/A THR 68.A N ILE 64.A O no hydrogen 2.924 N/A THR 68.A OG1 ILE 64.A O no hydrogen 2.768 N/A SER 69.A N GLU 65.A O.A no hydrogen 2.869 N/A SER 69.A N GLU 65.A O.B no hydrogen 2.779 N/A ALA 70.A N ALA 66.A O no hydrogen 2.929 N/A TYR 71.A N VAL 67.A O no hydrogen 2.881 N/A GLY 72.A N THR 68.A O no hydrogen 2.756 N/A GLN 73.A NE2 ASP 75.A OD1 no hydrogen 2.670 N/A VAL 74.A N GLN 119.A OE1 no hydrogen 2.776 N/A ASP 75.A N THR 4.A O no hydrogen 2.896 N/A VAL 76.A N THR 4.A O no hydrogen 3.044 N/A LEU 77.A N HIS 127.A O no hydrogen 2.978 N/A VAL 78.A N ILE 6.A O no hydrogen 2.800 N/A SER 79.A N ILE 129.A O no hydrogen 2.830 N/A SER 79.A OG ASP 81.A OD1 no hydrogen 3.337 N/A SER 79.A OG ASP 81.A OD2 no hydrogen 2.644 N/A ASN 80.A N THR 8.A OG1 no hydrogen 2.839 N/A ASN 80.A ND2 THR 8.A O no hydrogen 3.009 N/A ASN 80.A ND2 HIS 12.A O no hydrogen 2.874 N/A GLN 88.A N GLU 142.A O no hydrogen 2.969 N/A GLN 88.A NE2 GLU 86.A OE1 no hydrogen 3.027 N/A LYS 92.A N PRO 89.A O no hydrogen 2.845 N/A TYR 93.A OH GLU 86.A O no hydrogen 2.587 N/A TYR 93.A OH GLU 142.A O no hydrogen 3.403 N/A ALA 94.A N ASP 97.A OD2 no hydrogen 2.957 N/A ASP 97.A N ALA 94.A O no hydrogen 2.929 N/A TYR 98.A N VAL 95.A O no hydrogen 3.018 N/A TYR 98.A OH SER 148.A OG no hydrogen 2.857 N/A ARG 99.A N VAL 95.A O no hydrogen 3.104 N/A ARG 99.A NH1 GLU 96.A OE2 no hydrogen 2.919 N/A GLY 100.A N GLU 96.A O no hydrogen 2.794 N/A ALA 101.A N ASP 97.A O no hydrogen 3.345 N/A VAL 102.A N.A TYR 98.A O no hydrogen 2.913 N/A VAL 102.A N.B TYR 98.A O no hydrogen 2.919 N/A GLU 103.A N ARG 99.A O no hydrogen 2.893 N/A ALA 104.A N GLY 100.A O no hydrogen 3.113 N/A LEU 105.A N ALA 101.A O no hydrogen 2.876 N/A GLN 106.A N VAL 102.A O.A no hydrogen 2.828 N/A GLN 106.A N VAL 102.A O.B no hydrogen 2.980 N/A ILE 107.A N.A VAL 102.A O.A no hydrogen 2.935 N/A ILE 107.A N.A VAL 102.A O.B no hydrogen 2.885 N/A ILE 107.A N.B VAL 102.A O.A no hydrogen 2.956 N/A ILE 107.A N.B VAL 102.A O.B no hydrogen 2.909 N/A ARG 108.A N GLU 103.A O no hydrogen 3.087 N/A PHE 110.A N GLN 106.A O no hydrogen 3.155 N/A ALA 111.A N ILE 107.A O.A no hydrogen 2.785 N/A ALA 111.A N ILE 107.A O.B no hydrogen 2.856 N/A LEU 112.A N ARG 108.A O no hydrogen 3.015 N/A VAL 113.A N PRO 109.A O no hydrogen 2.974 N/A ASN 114.A N PHE 110.A O no hydrogen 2.765 N/A ALA 115.A N ALA 111.A O no hydrogen 2.998 N/A ALA 115.A N LEU 112.A O no hydrogen 3.228 N/A VAL 116.A N LEU 112.A O no hydrogen 3.130 N/A VAL 116.A N VAL 113.A O no hydrogen 3.181 N/A ALA 117.A N VAL 113.A O no hydrogen 2.871 N/A GLN 119.A NE2 THR 68.A OG1 no hydrogen 2.908 N/A MET 120.A N VAL 116.A O no hydrogen 3.386 N/A LYS 121.A N ALA 117.A O no hydrogen 2.801 N/A LYS 122.A N.A SER 118.A O.A no hydrogen 3.004 N/A LYS 122.A N.A SER 118.A O.B no hydrogen 2.972 N/A LYS 122.A N.B SER 118.A O.A no hydrogen 2.996 N/A LYS 122.A N.B SER 118.A O.B no hydrogen 2.965 N/A ARG 123.A N GLN 119.A O no hydrogen 3.471 N/A ARG 123.A NE SER 125.A OG no hydrogen 3.108 N/A ARG 123.A NH1 VAL 74.A O no hydrogen 2.661 N/A ARG 123.A NH2 GLN 119.A OE1 no hydrogen 2.901 N/A LYS 124.A N LYS 121.A O no hydrogen 3.260 N/A SER 125.A N MET 120.A O no hydrogen 3.195 N/A HIS 127.A N ASP 75.A O no hydrogen 3.000 N/A HIS 127.A NE2 ASP 231.A OD1 no hydrogen 2.839 N/A ILE 128.A N PRO 170.A O no hydrogen 3.056 N/A ILE 129.A N LEU 77.A O no hydrogen 2.842 N/A PHE 130.A N PHE 172.A O no hydrogen 2.837 N/A ILE 131.A N.A SER 79.A O no hydrogen 2.918 N/A ILE 131.A N.B SER 79.A O no hydrogen 2.929 N/A THR 132.A N ILE 174.A O no hydrogen 2.779 N/A THR 132.A OG1 ASN 154.A OD1 no hydrogen 2.602 N/A THR 132.A OG1 ILE 174.A O no hydrogen 3.396 N/A SER 133.A OG THR 135.A OG1 no hydrogen 2.816 N/A ALA 134.A N PRO 176.A O no hydrogen 2.860 N/A THR 135.A N SER 133.A OG no hydrogen 2.981 N/A THR 135.A OG1 SER 133.A OG no hydrogen 2.816 N/A PHE 137.A N ALA 134.A O no hydrogen 2.925 N/A GLY 138.A N THR 135.A O no hydrogen 3.102 N/A THR 145.A OG1 TYR 93.A OH no hydrogen 3.419 N/A THR 147.A N LEU 143.A O no hydrogen 3.122 N/A THR 147.A OG1 LEU 143.A O no hydrogen 2.711 N/A SER 148.A N SER 144.A O no hydrogen 3.197 N/A SER 148.A OG TYR 98.A OH no hydrogen 2.857 N/A SER 148.A OG SER 144.A O no hydrogen 2.756 N/A SER 148.A OG THR 145.A O no hydrogen 3.309 N/A ALA 149.A N THR 145.A O no hydrogen 3.060 N/A ARG 150.A N TYR 146.A O no hydrogen 3.066 N/A ARG 150.A NE TYR 146.A OH no hydrogen 3.132 N/A ARG 150.A NH1 ASP 81.A O no hydrogen 3.056 N/A ARG 150.A NH2 ASP 81.A O no hydrogen 2.925 N/A ARG 150.A NH2 TYR 146.A OH no hydrogen 3.022 N/A ALA 151.A N THR 147.A O no hydrogen 3.149 N/A GLY 152.A N SER 148.A O no hydrogen 3.053 N/A ALA 153.A N ALA 149.A O no hydrogen 3.071 N/A ASN 154.A N ARG 150.A O no hydrogen 2.976 N/A ASN 154.A ND2 SER 133.A O no hydrogen 3.632 N/A THR 155.A N ALA 151.A O no hydrogen 3.024 N/A THR 155.A OG1 ALA 151.A O no hydrogen 3.444 N/A LEU 156.A N GLY 152.A O no hydrogen 2.877 N/A ALA 157.A N ALA 153.A O no hydrogen 2.993 N/A ASN 158.A N ASN 154.A O no hydrogen 3.056 N/A ASN 158.A ND2 GLY 235.A O no hydrogen 2.857 N/A ALA 159.A N THR 155.A O no hydrogen 2.721 N/A LEU 160.A N LEU 156.A O no hydrogen 2.873 N/A SER 161.A N ALA 157.A O no hydrogen 3.016 N/A SER 161.A OG ASN 158.A O no hydrogen 2.645 N/A LYS 162.A N ALA 159.A O no hydrogen 3.093 N/A GLU 163.A N LEU 160.A O no hydrogen 3.145 N/A LEU 164.A N LEU 160.A O no hydrogen 3.000 N/A GLY 165.A N SER 161.A O no hydrogen 3.179 N/A TYR 167.A N LEU 164.A O no hydrogen 3.008 N/A ASN 168.A N GLY 165.A O no hydrogen 2.920 N/A ASN 168.A ND2 LYS 124.A O no hydrogen 3.554 N/A ILE 169.A N LEU 164.A O no hydrogen 3.089 N/A VAL 171.A N THR 234.A OG1 no hydrogen 3.044 N/A PHE 172.A N ILE 128.A O no hydrogen 2.844 N/A ALA 173.A N GLN 236.A O no hydrogen 3.119 N/A ILE 174.A N PHE 130.A O no hydrogen 2.745 N/A GLY 175.A N PHE 238.A O no hydrogen 2.697 N/A ASN 177.A N LEU 240.A O no hydrogen 3.131 N/A TYR 178.A N ASN 177.A OD1 no hydrogen 3.009 N/A TYR 178.A OH HIS 202.A NE2 no hydrogen 2.659 N/A HIS 180.A N GLY 213.A O no hydrogen 2.849 N/A HIS 180.A NE2 THR 190.A OG1 no hydrogen 2.713 N/A SER 181.A N TYR 188.A O no hydrogen 2.983 N/A SER 181.A OG SER 184.A O no hydrogen 2.771 N/A SER 184.A N SER 181.A O no hydrogen 2.943 N/A SER 184.A OG HIS 12.A ND1 no hydrogen 2.729 N/A SER 184.A OG TYR 186.A O no hydrogen 3.498 N/A TYR 186.A N SER 184.A OG no hydrogen 3.095 N/A TYR 188.A N SER 181.A OG no hydrogen 2.995 N/A TYR 188.A OH ASN 177.A OD1 no hydrogen 2.829 N/A THR 190.A N GLU 182.A O no hydrogen 2.907 N/A THR 190.A OG1 HIS 180.A NE2 no hydrogen 2.713 N/A THR 190.A OG1 GLU 182.A O no hydrogen 3.246 N/A TRP 193.A N PRO 189.A O no hydrogen 3.200 N/A LYS 194.A N THR 190.A O no hydrogen 2.774 N/A THR 195.A N PRO 192.A O no hydrogen 3.123 N/A ASN 196.A N PRO 192.A O no hydrogen 2.879 N/A ASN 196.A ND2 HIS 199.A ND1 no hydrogen 2.842 N/A GLU 198.A N GLU 198.A OE2 no hydrogen 2.532 N/A VAL 200.A N ASN 196.A O no hydrogen 2.991 N/A ALA 201.A N PRO 197.A O no hydrogen 2.901 N/A HIS 202.A N GLU 198.A O no hydrogen 2.979 N/A HIS 202.A NE2 TYR 178.A OH no hydrogen 2.659 N/A VAL 203.A N HIS 199.A O no hydrogen 3.090 N/A LYS 204.A N VAL 200.A O no hydrogen 3.083 N/A LYS 205.A N ALA 201.A O no hydrogen 3.041 N/A LYS 205.A N HIS 202.A O no hydrogen 3.006 N/A LYS 205.A NZ GLU 248.A OE2 no hydrogen 2.809 N/A VAL 206.A N HIS 202.A O no hydrogen 3.036 N/A THR 207.A N VAL 203.A O no hydrogen 3.308 N/A THR 207.A OG1 VAL 203.A O no hydrogen 2.747 N/A THR 207.A OG1 ARG 211.A O no hydrogen 3.530 N/A LEU 209.A N GLY 242.A O no hydrogen 3.007 N/A GLN 210.A N THR 207.A O no hydrogen 3.372 N/A ARG 211.A N THR 207.A OG1 no hydrogen 3.233 N/A ARG 211.A NH1 LEU 212.A O no hydrogen 3.010 N/A ARG 211.A NH1 GLU 217.A OE2 no hydrogen 2.861 N/A ARG 211.A NH2 GLU 217.A OE1 no hydrogen 2.789 N/A GLY 213.A N TYR 178.A O no hydrogen 2.800 N/A THR 214.A N GLU 217.A OE2 no hydrogen 2.898 N/A THR 214.A OG1 GLU 217.A OE2 no hydrogen 3.180 N/A GLN 215.A NE2 PHE 13.A O no hydrogen 2.817 N/A GLN 215.A NE2 HIS 180.A O no hydrogen 2.807 N/A GLU 217.A N THR 214.A OG1 no hydrogen 2.958 N/A LEU 218.A N THR 214.A O no hydrogen 3.185 N/A GLY 219.A N GLN 215.A O no hydrogen 2.839 N/A GLU 220.A N LYS 216.A O no hydrogen 2.813 N/A LEU 221.A N GLU 217.A O no hydrogen 3.156 N/A VAL 222.A N LEU 218.A O no hydrogen 2.996 N/A ALA 223.A N GLY 219.A O no hydrogen 2.907 N/A PHE 224.A N GLU 220.A O no hydrogen 2.905 N/A LEU 225.A N LEU 221.A O no hydrogen 2.900 N/A ALA 226.A N VAL 222.A O no hydrogen 2.907 N/A SER 227.A N PHE 224.A O no hydrogen 3.238 N/A SER 227.A OG PHE 224.A O no hydrogen 2.570 N/A SER 227.A OG SER 229.A OG no hydrogen 2.958 N/A SER 229.A N SER 227.A OG no hydrogen 3.064 N/A SER 229.A OG SER 227.A OG no hydrogen 2.958 N/A LEU 233.A N CYS 230.A O no hydrogen 3.284 N/A THR 234.A N ASP 231.A O no hydrogen 2.973 N/A GLY 235.A N VAL 171.A O no hydrogen 2.891 N/A GLN 236.A N LEU 233.A O no hydrogen 3.047 N/A GLN 236.A NE2 VAL 237.A O no hydrogen 3.173 N/A PHE 238.A N ALA 173.A O no hydrogen 2.803 N/A LEU 240.A N GLY 175.A O no hydrogen 2.891 N/A PHE 244.A N ALA 241.A O no hydrogen 2.986 N/A MET 246.A N VAL 206.A O no hydrogen 3.092 N/A ARG 249.A NH2 PRO 254.A O no hydrogen 2.986 N/A MET 253.A N TRP 250.A O no hydrogen 3.247 N/A