Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pls_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N PRO 94.A O no hydrogen 3.340 N/A ARG 1.A NH2 GLY 96.A O no hydrogen 3.411 N/A LEU 7.A N ASP 4.A OD2 no hydrogen 3.303 N/A LEU 8.A N ASP 4.A O no hydrogen 3.199 N/A ALA 9.A N SER 5.A O no hydrogen 3.007 N/A GLU 10.A N ALA 6.A O no hydrogen 2.889 N/A VAL 11.A N LEU 7.A O no hydrogen 2.767 N/A LYS 12.A N ALA 9.A O no hydrogen 3.427 N/A VAL 14.A N VAL 11.A O no hydrogen 3.134 N/A LEU 15.A N LYS 12.A O no hydrogen 3.091 N/A ILE 16.A N ILE 90.A O no hydrogen 3.056 N/A ARG 20.A N PRO 17.A O no hydrogen 2.934 N/A VAL 21.A N HIS 18.A O no hydrogen 3.094 N/A VAL 22.A N GLU 41.A O no hydrogen 2.674 N/A HIS 24.A N HIS 39.A O no hydrogen 2.984 N/A ASP 26.A N ASP 26.A OD1 no hydrogen 2.657 N/A ARG 27.A N HIS 24.A O no hydrogen 2.872 N/A ILE 29.A N VAL 37.A O no hydrogen 2.836 N/A GLY 30.A N VAL 37.A O no hydrogen 3.248 N/A GLY 32.A N GLY 35.A O no hydrogen 3.197 N/A GLY 35.A N GLY 32.A O no hydrogen 3.191 N/A VAL 37.A N GLY 30.A O no hydrogen 2.877 N/A TYR 38.A N ILE 54.A O no hydrogen 2.721 N/A HIS 39.A N ARG 27.A O no hydrogen 2.909 N/A GLY 40.A N CYS 52.A O no hydrogen 2.838 N/A GLU 41.A N VAL 22.A O no hydrogen 2.748 N/A TYR 42.A N ILE 50.A O no hydrogen 2.900 N/A ILE 43.A N ARG 20.A O no hydrogen 2.919 N/A ASP 44.A N ASN 48.A O no hydrogen 2.716 N/A ASN 48.A ND2 ASP 44.A OD2 no hydrogen 3.191 N/A ARG 49.A NE GLU 41.A OE1 no hydrogen 3.105 N/A ARG 49.A NH2 GLU 41.A OE1 no hydrogen 3.356 N/A ILE 50.A N TYR 42.A O no hydrogen 2.843 N/A GLN 51.A NE2.A HIS 24.A NE2 no hydrogen 3.278 N/A GLN 51.A NE2.A GLU 41.A OE2 no hydrogen 3.007 N/A GLN 51.A NE2.B GLU 41.A OE2 no hydrogen 2.500 N/A CYS 52.A N GLY 40.A O no hydrogen 3.082 N/A CYS 52.A SG ALA 53.A O no hydrogen 3.790 N/A ALA 53.A N LEU 102.A O no hydrogen 2.930 N/A ILE 54.A N TYR 38.A O no hydrogen 2.849 N/A LYS 55.A N VAL 100.A O no hydrogen 2.845 N/A LYS 55.A NZ ASP 167.A OD1 no hydrogen 3.122 N/A LYS 55.A NZ ASP 167.A OD2 no hydrogen 3.383 N/A SER 56.A N VAL 36.A O no hydrogen 2.798 N/A LEU 57.A N PRO 98.A O no hydrogen 2.811 N/A SER 58.A N PHE 34.A O no hydrogen 2.701 N/A SER 58.A OG PHE 34.A O no hydrogen 3.108 N/A ARG 59.A NE HIS 33.A O no hydrogen 3.156 N/A GLN 64.A NE2 GLU 62.A OE1 no hydrogen 3.391 N/A VAL 66.A N GLU 62.A O no hydrogen 3.088 N/A GLU 67.A N MET 63.A O no hydrogen 3.014 N/A ALA 68.A N GLN 64.A O no hydrogen 3.016 N/A PHE 69.A N GLN 65.A O no hydrogen 3.121 N/A LEU 70.A N VAL 66.A O no hydrogen 2.852 N/A ARG 71.A N GLU 67.A O no hydrogen 3.156 N/A ARG 71.A NE GLU 10.A OE1 no hydrogen 3.569 N/A ARG 71.A NE GLU 10.A OE2 no hydrogen 3.177 N/A GLU 72.A N ALA 68.A O no hydrogen 3.086 N/A GLY 73.A N PHE 69.A O no hydrogen 2.775 N/A LEU 74.A N LEU 70.A O no hydrogen 3.106 N/A LEU 75.A N ARG 71.A O no hydrogen 3.424 N/A MET 76.A N GLU 72.A O no hydrogen 2.832 N/A ARG 77.A N GLY 73.A O no hydrogen 2.913 N/A ARG 77.A NH2 ILE 88.A O no hydrogen 3.141 N/A GLY 78.A N LEU 75.A O no hydrogen 3.077 N/A LEU 79.A N MET 76.A O no hydrogen 2.934 N/A ASN 80.A N TYR 139.A OH no hydrogen 2.849 N/A ASN 83.A N HIS 81.A ND1 no hydrogen 2.941 N/A VAL 84.A N HIS 81.A O no hydrogen 3.064 N/A LEU 85.A N VAL 165.A O no hydrogen 2.765 N/A ILE 88.A N LEU 101.A O no hydrogen 3.075 N/A ILE 90.A N VAL 14.A O no hydrogen 3.107 N/A MET 91.A N HIS 99.A O no hydrogen 2.858 N/A HIS 99.A N MET 91.A O no hydrogen 2.945 N/A HIS 99.A ND1 LEU 97.A O no hydrogen 2.719 N/A VAL 100.A N LYS 55.A O no hydrogen 2.863 N/A LEU 101.A N GLY 89.A O no hydrogen 2.969 N/A LEU 102.A N ALA 53.A O no hydrogen 2.858 N/A HIS 107.A N LEU 157.A O no hydrogen 3.150 N/A GLY 108.A N MET 105.A O no hydrogen 3.495 N/A LEU 110.A N CYS 155.A O no hydrogen 2.839 N/A GLN 112.A N ASP 109.A OD2 no hydrogen 3.389 N/A PHE 113.A N ASP 109.A O no hydrogen 3.023 N/A ILE 114.A N LEU 110.A O no hydrogen 3.036 N/A ARG 115.A N LEU 111.A O no hydrogen 2.863 N/A SER 116.A N PHE 113.A O no hydrogen 3.340 N/A ARG 119.A N SER 116.A O no hydrogen 3.111 N/A THR 122.A N ASP 125.A OD2 no hydrogen 3.279 N/A THR 122.A OG1 ASP 292.A OD1 no hydrogen 3.542 N/A THR 122.A OG1 ASP 292.A OD2 no hydrogen 2.743 N/A VAL 123.A N HIS 293.A O no hydrogen 2.826 N/A LYS 124.A N ASP 292.A OD1 no hydrogen 3.223 N/A LYS 124.A NZ VAL 286.A O no hydrogen 3.202 N/A ASP 125.A N THR 122.A OG1 no hydrogen 3.241 N/A LEU 126.A N THR 122.A O no hydrogen 3.261 N/A LEU 126.A N VAL 123.A O no hydrogen 3.203 N/A ILE 127.A N VAL 123.A O no hydrogen 3.096 N/A SER 128.A N LYS 124.A O no hydrogen 3.100 N/A SER 128.A OG LYS 124.A O no hydrogen 2.382 N/A PHE 129.A N ASP 125.A O no hydrogen 3.293 N/A GLY 130.A N LEU 126.A O no hydrogen 3.147 N/A LEU 131.A N ILE 127.A O no hydrogen 2.718 N/A GLN 132.A N SER 128.A O no hydrogen 2.872 N/A VAL 133.A N PHE 129.A O no hydrogen 3.004 N/A VAL 133.A N GLY 130.A O no hydrogen 3.044 N/A ALA 134.A N GLY 130.A O no hydrogen 3.079 N/A ALA 134.A N LEU 131.A O no hydrogen 3.051 N/A ARG 135.A N LEU 131.A O no hydrogen 3.330 N/A GLY 136.A N GLN 132.A O no hydrogen 3.365 N/A MET 137.A N VAL 133.A O no hydrogen 2.983 N/A GLU 138.A N ALA 134.A O no hydrogen 3.058 N/A TYR 139.A N ARG 135.A O no hydrogen 3.117 N/A LEU 140.A N GLY 136.A O no hydrogen 3.163 N/A ALA 141.A N MET 137.A O no hydrogen 2.940 N/A GLU 142.A N GLU 138.A O no hydrogen 2.954 N/A GLN 143.A N TYR 139.A O no hydrogen 2.876 N/A GLN 143.A NE2 GLU 142.A OE2 no hydrogen 2.685 N/A LYS 144.A N ALA 141.A O no hydrogen 3.042 N/A PHE 145.A N LEU 140.A O no hydrogen 2.716 N/A HIS 147.A N ASP 210.A OD2 no hydrogen 3.067 N/A ARG 148.A N ASP 210.A OD1 no hydrogen 3.300 N/A ARG 148.A NE ASP 173.A OD1 no hydrogen 2.971 N/A ARG 148.A NH1 ASP 173.A OD1 no hydrogen 3.326 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 3.264 N/A ALA 152.A N GLU 220.A OE1 no hydrogen 3.075 N/A ARG 153.A NH1 ASP 149.A OD2 no hydrogen 3.417 N/A ARG 153.A NH1 TYR 179.A OH no hydrogen 3.287 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.666 N/A CYS 155.A N ALA 152.A O no hydrogen 3.188 N/A CYS 155.A SG ALA 151.A O no hydrogen 3.610 N/A MET 156.A N LYS 164.A O no hydrogen 2.938 N/A LEU 157.A N GLY 108.A O no hydrogen 2.734 N/A ASP 158.A N THR 162.A O no hydrogen 3.194 N/A SER 160.A N ASP 158.A OD1 no hydrogen 2.923 N/A SER 160.A OG ASP 158.A OD1 no hydrogen 3.242 N/A SER 160.A OG THR 162.A OG1 no hydrogen 3.421 N/A PHE 161.A N ASP 158.A O no hydrogen 2.841 N/A THR 162.A N ASP 158.A OD1 no hydrogen 2.793 N/A THR 162.A OG1 SER 160.A OG no hydrogen 3.421 N/A VAL 163.A N GLN 132.A OE1 no hydrogen 2.845 N/A LYS 164.A N MET 156.A O no hydrogen 2.734 N/A LYS 164.A NZ PRO 82.A O no hydrogen 2.654 N/A VAL 165.A N ASN 83.A O no hydrogen 2.855 N/A ARG 172.A N ASP 176.A OD2 no hydrogen 2.655 N/A ARG 172.A NE ASP 176.A OD2 no hydrogen 3.085 N/A ARG 172.A NH2 ASP 176.A OD1 no hydrogen 3.409 N/A ILE 174.A N TYR 203.A O no hydrogen 2.860 N/A LEU 175.A N ASP 173.A O no hydrogen 2.567 N/A ARG 177.A N ILE 174.A O no hydrogen 3.089 N/A TYR 179.A N ASP 176.A O no hydrogen 2.856 N/A TYR 179.A OH ASP 149.A OD2 no hydrogen 2.646 N/A TYR 180.A N ARG 177.A O no hydrogen 3.042 N/A TYR 180.A OH ARG 148.A O no hydrogen 2.650 N/A SER 181.A N GLU 178.A O no hydrogen 3.150 N/A HIS 187.A ND1 HIS 185.A O no hydrogen 2.933 N/A ARG 189.A NH2 GLY 225.A O no hydrogen 2.637 N/A LEU 190.A N HIS 187.A O no hydrogen 3.390 N/A LYS 193.A N LEU 190.A O no hydrogen 3.117 N/A LYS 193.A NZ ALA 188.A O no hydrogen 2.993 N/A LYS 193.A NZ PRO 228.A O no hydrogen 2.945 N/A LYS 193.A NZ TYR 229.A O no hydrogen 3.418 N/A TRP 194.A N PRO 191.A O no hydrogen 2.862 N/A TRP 194.A NE1 GLU 220.A OE1 no hydrogen 2.971 N/A THR 195.A N VAL 192.A O no hydrogen 3.403 N/A THR 195.A OG1 PRO 191.A O no hydrogen 2.699 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.659 N/A SER 199.A OG ARG 204.A O no hydrogen 3.117 N/A LEU 200.A N ALA 196.A O no hydrogen 3.143 N/A THR 202.A N SER 199.A O no hydrogen 3.357 N/A THR 202.A OG1 GLU 198.A O no hydrogen 3.002 N/A TYR 203.A N SER 199.A O no hydrogen 2.561 N/A ARG 204.A N THR 202.A OG1 no hydrogen 3.320 N/A ARG 204.A NH2 ASP 173.A OD2 no hydrogen 3.418 N/A PHE 205.A N ASP 173.A OD1 no hydrogen 3.247 N/A LYS 208.A NZ ARG 272.A O no hydrogen 2.737 N/A SER 209.A N THR 206.A OG1 no hydrogen 3.247 N/A SER 209.A OG SER 199.A OG no hydrogen 2.550 N/A ASP 210.A N THR 206.A O no hydrogen 3.062 N/A VAL 211.A N THR 207.A O no hydrogen 2.980 N/A TRP 212.A N LYS 208.A O no hydrogen 3.203 N/A SER 213.A N SER 209.A O no hydrogen 3.193 N/A SER 213.A OG TRP 194.A O no hydrogen 2.847 N/A SER 213.A OG SER 209.A O no hydrogen 3.139 N/A PHE 214.A N ASP 210.A O no hydrogen 2.955 N/A GLY 215.A N VAL 211.A O no hydrogen 3.144 N/A VAL 216.A N TRP 212.A O no hydrogen 3.105 N/A LEU 217.A N SER 213.A O no hydrogen 2.789 N/A LEU 218.A N PHE 214.A O no hydrogen 2.680 N/A TRP 219.A N GLY 215.A O no hydrogen 3.080 N/A TRP 219.A NE1 PRO 248.A O no hydrogen 2.902 N/A GLU 220.A N VAL 216.A O no hydrogen 3.105 N/A LEU 221.A N LEU 217.A O no hydrogen 3.079 N/A LEU 222.A N LEU 218.A O no hydrogen 3.352 N/A THR 223.A N TRP 219.A O no hydrogen 2.817 N/A THR 223.A OG1 TRP 219.A O no hydrogen 3.145 N/A THR 223.A OG1 GLU 220.A O no hydrogen 3.173 N/A ARG 224.A N LEU 221.A O no hydrogen 3.350 N/A ARG 224.A NE ILE 114.A O no hydrogen 2.837 N/A ARG 224.A NH1 ILE 114.A O no hydrogen 2.944 N/A ARG 224.A NH1 ARG 119.A O no hydrogen 3.220 N/A ARG 224.A NH2 VAL 295.A O no hydrogen 3.222 N/A GLY 225.A N GLU 220.A O no hydrogen 2.854 N/A ALA 226.A N THR 223.A OG1 no hydrogen 2.966 N/A ILE 232.A N TYR 229.A O no hydrogen 3.178 N/A ASP 236.A N ASP 233.A O no hydrogen 2.934 N/A PHE 240.A N ASP 236.A O no hydrogen 2.961 N/A LEU 241.A N LEU 237.A O no hydrogen 3.087 N/A ALA 242.A N THR 238.A O.A no hydrogen 3.020 N/A ALA 242.A N THR 238.A O.B no hydrogen 3.015 N/A GLN 243.A N HIS 239.A O no hydrogen 2.954 N/A GLY 244.A N LEU 241.A O no hydrogen 3.011 N/A ARG 246.A NE TRP 265.A O no hydrogen 3.072 N/A ARG 246.A NH1 LEU 241.A O no hydrogen 2.870 N/A ARG 246.A NH1 ARG 245.A O no hydrogen 2.968 N/A ARG 246.A NH2 TRP 265.A O no hydrogen 2.781 N/A GLN 249.A NE2 CYS 253.A O no hydrogen 2.394 N/A GLN 249.A NE2 ASP 255.A OD1 no hydrogen 2.911 N/A CYS 253.A N PRO 250.A O no hydrogen 3.024 N/A CYS 253.A SG PRO 254.A O no hydrogen 3.327 N/A TYR 258.A N PRO 254.A O no hydrogen 3.050 N/A TYR 258.A OH LEU 247.A O no hydrogen 2.526 N/A GLN 259.A N ASP 255.A O no hydrogen 2.889 N/A GLN 259.A NE2 ASP 255.A O no hydrogen 3.611 N/A VAL 260.A N SER 256.A O no hydrogen 2.954 N/A MET 261.A N LEU 257.A O no hydrogen 2.964 N/A GLN 262.A N TYR 258.A O no hydrogen 2.838 N/A GLN 263.A N GLN 259.A O no hydrogen 3.089 N/A CYS 264.A N VAL 260.A O no hydrogen 3.106 N/A CYS 264.A SG VAL 260.A O no hydrogen 3.568 N/A TRP 265.A N MET 261.A O no hydrogen 3.273 N/A TRP 265.A N GLN 262.A O no hydrogen 3.124 N/A GLU 266.A N GLN 263.A O no hydrogen 3.406 N/A ALA 270.A N ASP 268.A OD1 no hydrogen 3.067 N/A VAL 271.A N ASP 268.A O no hydrogen 2.996 N/A ARG 272.A N PRO 269.A O no hydrogen 3.281 N/A ARG 272.A NE GLU 266.A O no hydrogen 2.718 N/A ARG 272.A NH1 GLU 198.A OE1 no hydrogen 3.024 N/A ARG 272.A NH1 GLU 198.A OE2 no hydrogen 3.511 N/A ARG 272.A NH1 GLU 266.A O no hydrogen 3.014 N/A ARG 272.A NH2 GLU 198.A OE2 no hydrogen 3.074 N/A ARG 272.A NH2 LYS 208.A O no hydrogen 2.766 N/A VAL 277.A N THR 274.A OG1 no hydrogen 3.286 N/A LEU 278.A N THR 274.A O no hydrogen 2.929 N/A VAL 279.A N PHE 275.A O no hydrogen 2.914 N/A GLY 280.A N ARG 276.A O no hydrogen 3.314 N/A GLU 281.A N VAL 277.A O no hydrogen 2.718 N/A VAL 282.A N LEU 278.A O no hydrogen 2.902 N/A GLU 283.A N VAL 279.A O no hydrogen 2.915 N/A GLN 284.A N GLY 280.A O no hydrogen 2.952 N/A ILE 285.A N GLU 281.A O no hydrogen 3.075 N/A VAL 286.A N VAL 282.A O no hydrogen 3.133 N/A SER 287.A N GLU 283.A O no hydrogen 3.309 N/A SER 287.A OG GLN 284.A O no hydrogen 2.902 N/A ALA 288.A N GLN 284.A O no hydrogen 2.832 N/A VAL 295.A N PRO 121.A O no hydrogen 3.086 N/A