Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pk5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 8.A N PRO 4.A O no hydrogen 3.240 N/A GLU 9.A N HIS 5.A O no hydrogen 3.129 N/A LEU 10.A N LEU 6.A O no hydrogen 3.221 N/A LEU 11.A N ILE 7.A O no hydrogen 2.972 N/A LYS 12.A N LEU 8.A O no hydrogen 3.283 N/A LYS 12.A NZ GLU 9.A OE2 no hydrogen 2.770 N/A CYS 13.A N LEU 10.A O no hydrogen 2.846 N/A CYS 13.A SG GLU 9.A O no hydrogen 3.644 N/A GLU 14.A N LEU 11.A O no hydrogen 2.968 N/A ASP 16.A N ASP 16.A OD1 no hydrogen 2.411 N/A GLN 19.A N ASP 16.A O no hydrogen 3.222 N/A VAL 20.A N ASP 16.A O no hydrogen 3.372 N/A GLN 21.A N GLU 17.A O no hydrogen 2.947 N/A ALA 22.A N PRO 18.A O no hydrogen 3.081 N/A LYS 23.A N GLN 19.A O no hydrogen 2.961 N/A ILE 24.A N VAL 20.A O no hydrogen 2.941 N/A MET 25.A N GLN 21.A O no hydrogen 2.759 N/A ALA 26.A N ALA 22.A O no hydrogen 3.045 N/A TYR 27.A N LYS 23.A O no hydrogen 3.237 N/A TYR 27.A OH GLU 31.A OE1 no hydrogen 3.331 N/A LEU 28.A N ILE 24.A O no hydrogen 3.089 N/A GLN 29.A N MET 25.A O no hydrogen 2.947 N/A GLN 30.A N ALA 26.A O no hydrogen 2.870 N/A GLU 31.A N TYR 27.A O no hydrogen 2.824 N/A GLN 32.A N LEU 28.A O no hydrogen 2.959 N/A SER 33.A N GLN 29.A O no hydrogen 2.495 N/A ASN 34.A N GLN 30.A O no hydrogen 2.523 N/A ARG 35.A NE GLU 39.A OE1 no hydrogen 3.307 N/A ARG 35.A NH1 GLU 31.A O no hydrogen 2.954 N/A ARG 35.A NH2 GLU 39.A OE1 no hydrogen 3.492 N/A CYS 48.A N PHE 44.A O no hydrogen 3.089 N/A CYS 48.A SG PHE 44.A O no hydrogen 3.633 N/A LYS 49.A N GLY 45.A O no hydrogen 2.692 N/A LYS 49.A NZ GLU 31.A OE1 no hydrogen 3.357 N/A LYS 49.A NZ GLU 31.A OE2 no hydrogen 3.243 N/A LYS 49.A NZ ASN 231.A OD1 no hydrogen 2.678 N/A MET 50.A N LEU 46.A O no hydrogen 2.956 N/A ALA 51.A N LEU 47.A O no hydrogen 3.050 N/A ASP 52.A N CYS 48.A O no hydrogen 3.106 N/A GLN 53.A N LYS 49.A O no hydrogen 3.283 N/A THR 54.A N MET 50.A O no hydrogen 3.060 N/A THR 54.A OG1 MET 50.A O no hydrogen 2.644 N/A LEU 55.A N ALA 51.A O no hydrogen 2.871 N/A PHE 56.A N ASP 52.A O no hydrogen 3.000 N/A SER 57.A N GLN 53.A O no hydrogen 2.989 N/A ILE 58.A N THR 54.A O no hydrogen 2.896 N/A VAL 59.A N LEU 55.A O no hydrogen 2.962 N/A GLU 60.A N PHE 56.A O no hydrogen 3.010 N/A TRP 61.A N SER 57.A O no hydrogen 3.037 N/A ALA 62.A N ILE 58.A O no hydrogen 3.015 N/A ARG 63.A N VAL 59.A O no hydrogen 3.018 N/A SER 64.A N GLU 60.A O no hydrogen 2.997 N/A SER 64.A OG GLU 60.A O no hydrogen 3.164 N/A SER 65.A N ALA 62.A O no hydrogen 2.978 N/A ARG 69.A N SER 65.A O no hydrogen 3.140 N/A ARG 69.A NH2 SER 64.A O no hydrogen 2.943 N/A GLU 70.A N PHE 67.A O no hydrogen 3.214 N/A LEU 71.A N PHE 68.A O no hydrogen 2.961 N/A LYS 72.A NZ GLU 167.A OE2 no hydrogen 2.910 N/A GLN 76.A N LYS 72.A O no hydrogen 3.036 N/A GLN 76.A NE2 PHE 68.A O no hydrogen 3.034 N/A MET 77.A N VAL 73.A O no hydrogen 3.191 N/A LYS 78.A N ASP 74.A O no hydrogen 3.373 N/A LYS 78.A NZ ASP 74.A OD1 no hydrogen 2.803 N/A LYS 78.A NZ ASP 74.A OD2 no hydrogen 3.036 N/A LYS 78.A NZ ASN 165.A O no hydrogen 3.126 N/A LEU 79.A N ASP 75.A O no hydrogen 3.180 N/A LEU 79.A N GLN 76.A O no hydrogen 2.962 N/A LEU 80.A N GLN 76.A O no hydrogen 2.976 N/A GLN 81.A N MET 77.A O no hydrogen 2.858 N/A CYS 83.A N LEU 79.A O no hydrogen 3.309 N/A CYS 83.A SG LEU 79.A O no hydrogen 3.075 N/A CYS 83.A SG VAL 157.A O no hydrogen 3.711 N/A SER 85.A OG SER 212.A OG no hydrogen 2.383 N/A SER 85.A OG GLU 216.A OE2 no hydrogen 3.238 N/A LEU 87.A N CYS 83.A O no hydrogen 2.942 N/A LEU 88.A N TRP 84.A O no hydrogen 3.064 N/A ILE 89.A N SER 85.A O no hydrogen 3.006 N/A LEU 90.A N GLU 86.A O no hydrogen 2.923 N/A ASP 91.A N LEU 87.A O no hydrogen 2.898 N/A HIS 92.A N LEU 88.A O no hydrogen 3.068 N/A ILE 93.A N ILE 89.A O no hydrogen 2.875 N/A TYR 94.A N LEU 90.A O no hydrogen 2.991 N/A ARG 95.A N ASP 91.A O no hydrogen 3.123 N/A ARG 95.A NH1 ASP 91.A OD1 no hydrogen 2.811 N/A ARG 95.A NH1 ASP 91.A OD2 no hydrogen 3.465 N/A ARG 95.A NH2 ASP 91.A OD1 no hydrogen 2.660 N/A GLN 96.A N HIS 92.A O no hydrogen 3.025 N/A GLN 96.A NE2 HIS 92.A O no hydrogen 3.144 N/A GLN 96.A NE2 PHE 106.A O no hydrogen 2.885 N/A VAL 97.A N ILE 93.A O no hydrogen 2.973 N/A ALA 98.A N TYR 94.A O no hydrogen 2.943 N/A HIS 99.A N ARG 95.A O no hydrogen 2.940 N/A GLY 100.A N GLN 96.A O no hydrogen 2.706 N/A LYS 101.A N THR 104.A OG1 no hydrogen 3.332 N/A THR 104.A OG1 HIS 112.A ND1 no hydrogen 3.144 N/A ILE 105.A N VAL 113.A O no hydrogen 2.712 N/A PHE 106.A N GLN 96.A OE1 no hydrogen 2.848 N/A LEU 107.A N GLU 111.A O no hydrogen 2.699 N/A THR 109.A OG1 GLU 111.A OE1 no hydrogen 3.092 N/A GLY 110.A N LEU 107.A O no hydrogen 2.722 N/A HIS 112.A ND1 THR 104.A OG1 no hydrogen 3.144 N/A VAL 113.A N ILE 105.A O no hydrogen 2.986 N/A TYR 115.A N GLY 103.A O no hydrogen 2.752 N/A ILE 118.A N ASP 114.A O no hydrogen 3.289 N/A ILE 119.A N TYR 115.A O no hydrogen 3.175 N/A SER 120.A N SER 116.A O no hydrogen 3.019 N/A HIS 121.A N THR 117.A O no hydrogen 3.238 N/A THR 122.A N ILE 119.A O no hydrogen 3.127 N/A THR 122.A OG1 ILE 118.A O no hydrogen 2.762 N/A THR 122.A OG1 ILE 119.A O no hydrogen 3.154 N/A THR 122.A OG1 ASN 127.A OD1 no hydrogen 2.528 N/A ASN 127.A N GLU 123.A O no hydrogen 3.018 N/A ASN 127.A ND2 ILE 119.A O no hydrogen 3.377 N/A ASN 128.A N VAL 124.A O no hydrogen 2.814 N/A LEU 130.A N PHE 126.A O no hydrogen 2.980 N/A SER 131.A N ASN 127.A O no hydrogen 2.973 N/A LEU 132.A N ASN 128.A O no hydrogen 2.844 N/A ALA 133.A N LEU 129.A O no hydrogen 3.043 N/A GLN 134.A N LEU 130.A O no hydrogen 3.239 N/A GLU 135.A N SER 131.A O no hydrogen 3.292 N/A VAL 137.A N ALA 133.A O no hydrogen 2.995 N/A VAL 138.A N GLN 134.A O no hydrogen 2.755 N/A ARG 139.A N GLU 135.A O no hydrogen 2.923 N/A ARG 139.A NH2 GLU 135.A OE2 no hydrogen 3.477 N/A LEU 140.A N LEU 136.A O no hydrogen 2.813 N/A ARG 141.A N VAL 137.A O no hydrogen 2.878 N/A ARG 141.A NH1 GLN 96.A O no hydrogen 3.042 N/A SER 142.A N VAL 138.A O no hydrogen 3.252 N/A SER 142.A OG VAL 138.A O no hydrogen 3.136 N/A LEU 143.A N ARG 139.A O no hydrogen 3.310 N/A GLN 144.A N ARG 141.A O no hydrogen 3.139 N/A PHE 145.A N LEU 140.A O no hydrogen 3.002 N/A ASP 146.A N GLU 149.A OE1 no hydrogen 2.804 N/A ARG 148.A NE ASP 146.A OD1 no hydrogen 3.465 N/A GLU 149.A N ASP 146.A O no hydrogen 3.036 N/A GLU 149.A N ASP 146.A OD2 no hydrogen 3.160 N/A PHE 150.A N ASP 146.A O no hydrogen 2.934 N/A VAL 151.A N GLN 147.A O no hydrogen 2.999 N/A CYS 152.A SG ARG 148.A O no hydrogen 3.376 N/A LEU 153.A N GLU 149.A O no hydrogen 2.947 N/A LYS 154.A N PHE 150.A O no hydrogen 3.096 N/A LYS 154.A NZ GLU 14.A OE1 no hydrogen 3.345 N/A LYS 154.A NZ GLU 14.A OE2 no hydrogen 2.570 N/A PHE 155.A N VAL 151.A O no hydrogen 3.122 N/A LEU 156.A N CYS 152.A O no hydrogen 2.950 N/A VAL 157.A N LEU 153.A O no hydrogen 2.813 N/A LEU 158.A N LYS 154.A O no hydrogen 2.869 N/A PHE 159.A N PHE 155.A O no hydrogen 2.887 N/A SER 160.A N LEU 158.A O no hydrogen 2.989 N/A LYS 164.A NZ ASP 162.A O no hydrogen 3.220 N/A GLU 167.A N ASP 75.A OD2 no hydrogen 2.749 N/A ASN 168.A N ASP 75.A OD1 no hydrogen 2.735 N/A LEU 171.A N ASN 168.A O no hydrogen 3.251 N/A LEU 171.A N ASN 168.A OD1 no hydrogen 3.148 N/A VAL 172.A N ASN 168.A O no hydrogen 3.382 N/A GLU 173.A N LEU 169.A O no hydrogen 3.000 N/A GLY 174.A N GLN 170.A O no hydrogen 3.084 N/A VAL 175.A N LEU 171.A O no hydrogen 2.959 N/A GLN 176.A N VAL 172.A O no hydrogen 3.085 N/A GLU 177.A N GLU 173.A O no hydrogen 2.901 N/A GLN 178.A N GLY 174.A O no hydrogen 2.866 N/A VAL 179.A N VAL 175.A O no hydrogen 2.736 N/A ASN 180.A N GLN 176.A O no hydrogen 3.068 N/A ASN 180.A ND2 GLN 176.A O no hydrogen 3.315 N/A ALA 181.A N GLU 177.A O no hydrogen 3.109 N/A ALA 182.A N GLN 178.A O no hydrogen 3.038 N/A LEU 183.A N VAL 179.A O no hydrogen 2.856 N/A LEU 184.A N ASN 180.A O no hydrogen 3.041 N/A ASP 185.A N ALA 181.A O no hydrogen 3.047 N/A TYR 186.A N ALA 182.A O no hydrogen 2.963 N/A TYR 186.A OH ASP 146.A OD1 no hydrogen 2.744 N/A THR 187.A N LEU 183.A O no hydrogen 2.773 N/A THR 187.A OG1 LEU 183.A O no hydrogen 3.216 N/A THR 187.A OG1 LEU 184.A O no hydrogen 3.018 N/A VAL 188.A N LEU 184.A O no hydrogen 3.168 N/A CYS 189.A N ASP 185.A O no hydrogen 3.170 N/A CYS 189.A SG ASP 185.A OD1 no hydrogen 3.237 N/A ASN 190.A N TYR 186.A O no hydrogen 2.937 N/A ASN 190.A ND2 SER 2.A O no hydrogen 2.886 N/A ASN 190.A ND2 TYR 186.A O no hydrogen 2.840 N/A TYR 191.A N THR 187.A O no hydrogen 2.783 N/A TYR 191.A OH ASP 146.A OD1 no hydrogen 2.582 N/A GLN 194.A N TYR 191.A O no hydrogen 2.932 N/A LYS 197.A NZ LEU 143.A O no hydrogen 2.781 N/A LYS 197.A NZ GLU 149.A OE1 no hydrogen 3.008 N/A LYS 197.A NZ GLU 149.A OE2 no hydrogen 2.985 N/A GLN 200.A N GLU 196.A O no hydrogen 3.194 N/A GLN 200.A NE2 GLU 196.A O no hydrogen 3.259 N/A LEU 201.A N LYS 197.A O no hydrogen 2.658 N/A LEU 202.A N PHE 198.A O no hydrogen 3.067 N/A LEU 203.A N GLY 199.A O no hydrogen 2.837 N/A ARG 204.A N LEU 201.A O no hydrogen 2.998 N/A ARG 204.A NE GLN 200.A O no hydrogen 3.035 N/A ARG 204.A NH1 GLU 207.A OE1 no hydrogen 2.769 N/A ARG 204.A NH1 GLU 207.A OE2 no hydrogen 3.491 N/A ARG 204.A NH2 GLN 200.A O no hydrogen 2.957 N/A ARG 204.A NH2 GLN 200.A OE1 no hydrogen 3.034 N/A LEU 205.A N LEU 202.A O no hydrogen 3.086 N/A LEU 208.A N ARG 204.A O no hydrogen 2.918 N/A ARG 209.A N LEU 205.A O no hydrogen 2.902 N/A ALA 210.A N PRO 206.A O no hydrogen 3.101 N/A ILE 211.A N GLU 207.A O no hydrogen 3.030 N/A SER 212.A N LEU 208.A O no hydrogen 2.939 N/A SER 212.A OG SER 85.A OG no hydrogen 2.383 N/A LYS 213.A N ARG 209.A O no hydrogen 3.161 N/A GLN 214.A N ALA 210.A O no hydrogen 3.227 N/A GLN 214.A NE2 ALA 210.A O no hydrogen 3.675 N/A ALA 215.A N ILE 211.A O no hydrogen 2.964 N/A GLU 216.A N SER 212.A O no hydrogen 3.058 N/A ASP 217.A N LYS 213.A O no hydrogen 2.930 N/A TYR 218.A N GLN 214.A O no hydrogen 3.192 N/A LEU 219.A N ALA 215.A O no hydrogen 2.890 N/A TYR 220.A N GLU 216.A O no hydrogen 2.708 N/A TYR 221.A N ASP 217.A O no hydrogen 3.027 N/A LYS 222.A N TYR 218.A O no hydrogen 2.974 N/A LYS 222.A NZ GLU 123.A OE2 no hydrogen 2.535 N/A LYS 222.A NZ ASP 227.A OD2 no hydrogen 3.453 N/A HIS 223.A N LEU 219.A O no hydrogen 3.003 N/A VAL 224.A N TYR 220.A O no hydrogen 2.795 N/A GLY 226.A N HIS 223.A O no hydrogen 2.932 N/A ASP 227.A N LYS 222.A O no hydrogen 2.862 N/A ASN 232.A ND2 GLU 236.A OE2 no hydrogen 3.365 N/A ILE 235.A N ASN 231.A O no hydrogen 3.270 N/A GLU 236.A N ASN 232.A O no hydrogen 3.026 N/A MET 237.A N LEU 233.A O no hydrogen 3.209 N/A LEU 238.A N LEU 234.A O no hydrogen 3.061 N/A HIS 239.A N ILE 235.A O no hydrogen 2.791 N/A ALA 240.A N MET 237.A O no hydrogen 3.046 N/A LYS 241.A N LEU 238.A O no hydrogen 3.255 N/A LYS 241.A NZ GLN 81.A O no hydrogen 3.316 N/A LYS 241.A NZ GLU 216.A OE2 no hydrogen 3.374 N/A