Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLN 4.A OE1 no hydrogen 2.935 N/A LEU 6.A N HIS 2.A O no hydrogen 3.484 N/A LYS 7.A N ASN 3.A O no hydrogen 2.500 N/A THR 8.A N PHE 5.A O no hydrogen 2.930 N/A THR 8.A OG1 GLN 4.A O no hydrogen 3.150 N/A PHE 9.A N LEU 6.A O no hydrogen 3.365 N/A GLN 10.A N LYS 7.A O no hydrogen 3.369 N/A GLN 10.A NE2 LEU 6.A O no hydrogen 3.610 N/A LYS 11.A NZ LYS 7.A O no hydrogen 3.396 N/A GLU 12.A N PHE 9.A O no hydrogen 3.069 N/A ARG 13.A N PHE 9.A O no hydrogen 2.917 N/A ARG 13.A NH2 GLU 175.A OE1 no hydrogen 2.961 N/A LYS 17.A NZ ASP 170.A OD1 no hydrogen 3.408 N/A GLU 18.A N HIS 14.A O no hydrogen 3.078 N/A ALA 19.A N MET 16.A O no hydrogen 2.801 N/A GLU 20.A N MET 16.A O no hydrogen 2.748 N/A GLU 20.A N LYS 17.A O no hydrogen 2.756 N/A LYS 21.A NZ GLU 18.A OE2 no hydrogen 3.409 N/A ASP 22.A N ALA 19.A O no hydrogen 2.686 N/A GLU 23.A N GLU 20.A O no hydrogen 2.630 N/A LEU 25.A N GLU 23.A OE1 no hydrogen 2.600 N/A LEU 26.A N GLU 23.A O no hydrogen 2.877 N/A MET 27.A N ILE 24.A O no hydrogen 2.756 N/A GLU 28.A N LEU 26.A O no hydrogen 2.571 N/A ASN 29.A ND2 SER 30.A OG no hydrogen 3.228 N/A TRP 44.A N TYR 40.A O no hydrogen 3.362 N/A ALA 45.A N HIS 41.A O no hydrogen 2.632 N/A ALA 46.A N GLU 42.A O no hydrogen 2.847 N/A TYR 47.A N ILE 43.A O no hydrogen 3.262 N/A TYR 47.A OH GLU 51.A OE2 no hydrogen 2.795 N/A LYS 48.A N TRP 44.A O no hydrogen 3.006 N/A LYS 48.A NZ GLU 51.A OE1 no hydrogen 3.029 N/A LYS 49.A N ALA 45.A O no hydrogen 2.903 N/A VAL 50.A N ALA 46.A O no hydrogen 3.085 N/A GLU 51.A N TYR 47.A O no hydrogen 2.833 N/A ALA 52.A N LYS 48.A O no hydrogen 2.974 N/A ALA 52.A N LYS 49.A O no hydrogen 2.948 N/A SER 53.A N VAL 50.A O no hydrogen 3.064 N/A SER 53.A OG VAL 50.A O no hydrogen 2.696 N/A PHE 54.A N GLU 51.A O no hydrogen 3.376 N/A TRP 55.A NE1 ASP 217.A OD2 no hydrogen 2.891 N/A GLU 59.A N THR 56.A O no hydrogen 3.115 N/A ILE 60.A N ALA 57.A O no hydrogen 2.709 N/A GLU 61.A N GLU 61.A OE2 no hydrogen 2.420 N/A PHE 69.A N THR 66.A O no hydrogen 3.212 N/A GLN 70.A N THR 66.A O no hydrogen 3.305 N/A ASP 75.A N THR 73.A OG1 no hydrogen 3.124 N/A GLN 76.A N THR 73.A OG1 no hydrogen 2.922 N/A GLN 76.A NE2 PHE 265.A O no hydrogen 3.000 N/A THR 78.A OG1 ASP 74.A O no hydrogen 3.435 N/A THR 78.A OG1 ASP 75.A O no hydrogen 3.034 N/A TYR 79.A N ASP 75.A O no hydrogen 2.316 N/A TYR 79.A OH SER 194.A OG no hydrogen 2.696 N/A ILE 80.A N GLN 76.A O no hydrogen 2.908 N/A GLY 81.A N LYS 77.A O no hydrogen 3.340 N/A ASN 82.A N THR 78.A O no hydrogen 2.864 N/A LEU 83.A N TYR 79.A O no hydrogen 2.849 N/A LEU 84.A N ILE 80.A O no hydrogen 2.662 N/A ALA 85.A N ASN 82.A O no hydrogen 3.104 N/A LEU 86.A N ASN 82.A O no hydrogen 2.737 N/A SER 87.A OG LEU 83.A O no hydrogen 3.019 N/A SER 89.A OG ALA 85.A O no hydrogen 2.592 N/A SER 90.A N SER 87.A O no hydrogen 2.948 N/A ASP 91.A N LEU 86.A O no hydrogen 3.346 N/A ASN 92.A N SER 87.A O no hydrogen 3.235 N/A VAL 94.A N SER 90.A O no hydrogen 3.366 N/A ASN 95.A N ASP 91.A O no hydrogen 2.581 N/A ASN 95.A ND2 GLU 122.A OE1 no hydrogen 2.519 N/A LYS 96.A N ASN 92.A O no hydrogen 3.358 N/A LYS 96.A NZ SER 126.A OG no hydrogen 3.075 N/A TYR 97.A N LEU 93.A O no hydrogen 3.447 N/A LEU 98.A N VAL 94.A O no hydrogen 3.056 N/A ILE 99.A N ASN 95.A O no hydrogen 3.366 N/A GLU 100.A N TYR 97.A O no hydrogen 3.098 N/A ASN 101.A N TYR 97.A O no hydrogen 3.261 N/A PHE 102.A N LEU 98.A O no hydrogen 2.951 N/A SER 103.A N ILE 99.A O no hydrogen 2.917 N/A ALA 104.A N GLU 100.A O no hydrogen 2.738 N/A GLN 105.A N ASN 101.A O no hydrogen 2.933 N/A LEU 106.A N PHE 102.A O no hydrogen 2.975 N/A LEU 106.A N SER 103.A O no hydrogen 3.229 N/A GLN 107.A N LEU 25.A O no hydrogen 3.227 N/A GLN 107.A NE2 GLN 105.A O no hydrogen 3.097 N/A LYS 112.A N ASN 108.A O no hydrogen 3.128 N/A LYS 112.A NZ SER 103.A O no hydrogen 2.981 N/A SER 113.A N GLU 110.A O no hydrogen 3.208 N/A SER 113.A OG PRO 109.A O no hydrogen 3.084 N/A PHE 114.A N GLY 111.A O no hydrogen 2.692 N/A TYR 115.A N GLY 111.A O no hydrogen 3.279 N/A GLY 116.A N LYS 112.A O no hydrogen 3.232 N/A PHE 117.A N PHE 114.A O no hydrogen 2.565 N/A GLN 118.A N PHE 114.A O no hydrogen 3.041 N/A ILE 119.A N TYR 115.A O no hydrogen 3.173 N/A MET 121.A N PHE 117.A O no hydrogen 3.160 N/A GLU 122.A N GLN 118.A O no hydrogen 2.965 N/A ASN 123.A N ILE 119.A O no hydrogen 2.994 N/A ASN 123.A N MET 120.A O no hydrogen 3.261 N/A ILE 124.A N MET 120.A O no hydrogen 3.144 N/A TYR 125.A N MET 121.A O no hydrogen 2.634 N/A SER 126.A N GLU 122.A O no hydrogen 3.257 N/A SER 126.A OG ASN 92.A OD1 no hydrogen 2.647 N/A SER 126.A OG GLU 122.A O no hydrogen 2.603 N/A TYR 129.A N TYR 125.A O no hydrogen 3.046 N/A SER 130.A N SER 126.A O no hydrogen 3.020 N/A MET 131.A N VAL 128.A O no hydrogen 3.082 N/A MET 132.A N VAL 128.A O no hydrogen 3.035 N/A MET 132.A N TYR 129.A O no hydrogen 2.914 N/A VAL 133.A N TYR 129.A O no hydrogen 2.943 N/A ALA 135.A N MET 131.A O no hydrogen 2.993 N/A PHE 136.A N MET 132.A O no hydrogen 2.986 N/A ASP 139.A N PHE 137.A O no hydrogen 2.406 N/A LYS 141.A N ASP 139.A OD1 no hydrogen 2.725 N/A LYS 147.A N LEU 145.A O no hydrogen 2.742 N/A GLU 148.A N LEU 145.A O no hydrogen 3.427 N/A ASN 151.A N GLU 148.A O no hydrogen 3.017 N/A LYS 156.A N LEU 152.A O no hydrogen 2.950 N/A LYS 156.A NZ ALA 150.A O no hydrogen 2.897 N/A LYS 156.A NZ ASN 151.A OD1 no hydrogen 3.357 N/A HIS 157.A N PRO 153.A O no hydrogen 2.769 N/A HIS 157.A ND1 GLU 254.A OE2 no hydrogen 3.124 N/A LYS 158.A N GLU 154.A O no hydrogen 2.768 N/A LYS 158.A N VAL 155.A O no hydrogen 3.071 N/A ALA 159.A N VAL 155.A O no hydrogen 2.962 N/A ALA 160.A N LYS 156.A O no hydrogen 3.263 N/A ILE 162.A N LYS 158.A O no hydrogen 3.293 N/A GLU 163.A N ALA 159.A O no hydrogen 2.865 N/A ARG 164.A NH1 GLU 247.A OE2 no hydrogen 2.441 N/A TRP 165.A N PHE 161.A O no hydrogen 2.973 N/A TRP 165.A N ILE 162.A O no hydrogen 3.128 N/A TRP 165.A NE1 GLU 247.A OE2 no hydrogen 2.420 N/A ILE 166.A N ILE 162.A O no hydrogen 2.644 N/A ASN 168.A ND2 GLU 163.A O no hydrogen 3.652 N/A ASN 168.A ND2 ARG 164.A O no hydrogen 3.284 N/A SER 171.A OG ASN 168.A O no hydrogen 2.695 N/A LEU 172.A N GLU 175.A OE2 no hydrogen 3.314 N/A ARG 176.A N LEU 172.A O no hydrogen 2.889 N/A ARG 176.A NE GLN 105.A OE1 no hydrogen 3.376 N/A ARG 176.A NH2 GLN 105.A OE1 no hydrogen 3.153 N/A LEU 177.A N TYR 173.A O no hydrogen 2.639 N/A VAL 178.A N ALA 174.A O no hydrogen 2.991 N/A ALA 179.A N GLU 175.A O no hydrogen 3.105 N/A PHE 180.A N ARG 176.A O no hydrogen 2.899 N/A ALA 181.A N LEU 177.A O no hydrogen 2.973 N/A ALA 182.A N VAL 178.A O no hydrogen 2.716 N/A LYS 183.A N ALA 179.A O no hydrogen 2.510 N/A LYS 183.A NZ ASN 95.A OD1 no hydrogen 2.993 N/A LYS 183.A NZ GLU 184.A OE1 no hydrogen 2.643 N/A GLU 184.A N PHE 180.A O no hydrogen 2.997 N/A GLY 185.A N ALA 181.A O no hydrogen 2.853 N/A ILE 186.A N ALA 182.A O no hydrogen 2.697 N/A PHE 187.A N ALA 182.A O no hydrogen 3.304 N/A GLN 188.A N GLU 252.A OE1 no hydrogen 2.850 N/A ALA 189.A N ILE 186.A O no hydrogen 2.816 N/A GLY 190.A N GLU 252.A OE2 no hydrogen 3.008 N/A ASN 191.A N ASN 191.A OD1 no hydrogen 2.644 N/A ASN 191.A N TYR 256.A OH no hydrogen 2.776 N/A ALA 193.A N ALA 189.A O no hydrogen 3.301 N/A SER 194.A N GLY 190.A O no hydrogen 2.627 N/A SER 194.A OG TYR 79.A OH no hydrogen 2.696 N/A SER 194.A OG GLY 190.A O no hydrogen 3.023 N/A MET 195.A N ASN 191.A O no hydrogen 2.898 N/A PHE 196.A N TYR 192.A O no hydrogen 2.591 N/A TRP 197.A N ALA 193.A O no hydrogen 3.006 N/A LEU 198.A N SER 194.A O no hydrogen 2.903 N/A THR 199.A OG1 MET 195.A O no hydrogen 2.849 N/A THR 199.A OG1 PHE 196.A O no hydrogen 3.179 N/A ASP 200.A N PHE 196.A O no hydrogen 2.839 N/A ILE 203.A N THR 199.A O no hydrogen 3.125 N/A ALA 208.A N MET 204.A O no hydrogen 3.088 N/A MET 209.A N PRO 205.A O no hydrogen 2.888 N/A ALA 210.A N GLY 206.A O no hydrogen 2.929 N/A ASN 211.A N LEU 207.A O no hydrogen 2.972 N/A ARG 212.A N ALA 208.A O no hydrogen 2.925 N/A ASN 213.A N MET 209.A O no hydrogen 2.700 N/A ILE 214.A N ALA 210.A O no hydrogen 2.850 N/A CYS 215.A N ASN 211.A O no hydrogen 3.028 N/A ARG 216.A N ARG 212.A O no hydrogen 3.177 N/A ARG 216.A NH2 ASP 217.A OD2 no hydrogen 3.525 N/A ASP 217.A N ASN 213.A O no hydrogen 3.137 N/A ARG 218.A N ILE 214.A O no hydrogen 2.917 N/A GLY 219.A N ARG 216.A O no hydrogen 2.384 N/A ALA 220.A N ARG 216.A O no hydrogen 3.278 N/A TYR 221.A N ASP 217.A O no hydrogen 2.866 N/A TYR 221.A OH TYR 125.A OH no hydrogen 2.924 N/A THR 222.A N ARG 218.A O no hydrogen 3.180 N/A THR 222.A OG1 ARG 218.A O no hydrogen 2.768 N/A ASP 223.A N GLY 219.A O no hydrogen 3.203 N/A PHE 224.A N ALA 220.A O no hydrogen 2.947 N/A SER 225.A N TYR 221.A O no hydrogen 3.331 N/A CYS 226.A N THR 222.A O no hydrogen 3.261 N/A CYS 226.A N ASP 223.A O no hydrogen 2.758 N/A CYS 226.A SG GLY 286.A O no hydrogen 3.457 N/A LEU 227.A N ASP 223.A O no hydrogen 2.697 N/A LEU 228.A N PHE 224.A O no hydrogen 2.789 N/A PHE 229.A N SER 225.A O no hydrogen 3.051 N/A ALA 230.A N CYS 226.A O no hydrogen 2.700 N/A HIS 231.A N LEU 228.A O no hydrogen 2.777 N/A LEU 232.A N PHE 229.A O no hydrogen 3.355 N/A ARG 233.A N GLU 23.A OE2 no hydrogen 3.250 N/A ILE 241.A N ASN 237.A O no hydrogen 3.250 N/A GLU 242.A N PRO 238.A O no hydrogen 2.944 N/A LYS 243.A N LYS 239.A O no hydrogen 3.219 N/A LYS 243.A NZ GLU 247.A OE1 no hydrogen 2.658 N/A ILE 244.A N ILE 240.A O no hydrogen 3.368 N/A THR 246.A N GLU 242.A O no hydrogen 2.763 N/A THR 246.A OG1 GLU 242.A O no hydrogen 2.976 N/A GLU 247.A N LYS 243.A O no hydrogen 2.545 N/A ALA 248.A N ILE 244.A O no hydrogen 2.957 N/A VAL 249.A N ILE 245.A O no hydrogen 2.803 N/A GLU 250.A N THR 246.A O no hydrogen 3.255 N/A ILE 251.A N GLU 247.A O no hydrogen 3.036 N/A GLU 252.A N ALA 248.A O no hydrogen 2.855 N/A LYS 253.A N VAL 249.A O no hydrogen 3.223 N/A LYS 253.A NZ GLU 277.A OE2 no hydrogen 3.243 N/A GLU 254.A N GLU 250.A O no hydrogen 3.430 N/A TYR 255.A N GLU 252.A O no hydrogen 3.232 N/A TYR 256.A N LYS 253.A O no hydrogen 2.630 N/A TYR 256.A OH ASN 191.A OD1 no hydrogen 2.687 N/A TYR 256.A OH GLU 252.A OE2 no hydrogen 2.751 N/A SER 257.A N GLU 254.A O no hydrogen 3.231 N/A ASN 258.A N GLU 254.A O no hydrogen 2.904 N/A MET 267.A N VAL 262.A O no hydrogen 2.791 N/A LEU 269.A N MET 267.A O no hydrogen 3.101 N/A SER 271.A N ASP 268.A O no hydrogen 2.597 N/A SER 271.A OG ASP 268.A O no hydrogen 2.801 N/A HIS 273.A N LEU 269.A O no hydrogen 2.933 N/A THR 274.A N LYS 270.A O no hydrogen 3.276 N/A THR 274.A OG1 LYS 270.A O no hydrogen 3.049 N/A THR 274.A OG1 SER 271.A O no hydrogen 2.344 N/A TYR 275.A N SER 271.A O no hydrogen 2.723 N/A ILE 276.A N ILE 272.A O no hydrogen 2.916 N/A PHE 278.A N THR 274.A O no hydrogen 2.895 N/A VAL 279.A N TYR 275.A O no hydrogen 3.028 N/A ALA 280.A N ILE 276.A O no hydrogen 3.176 N/A ASP 281.A N GLU 277.A O no hydrogen 3.108 N/A GLY 282.A N PHE 278.A O no hydrogen 3.198 N/A LEU 283.A N VAL 279.A O no hydrogen 2.941 N/A LEU 284.A N ALA 280.A O no hydrogen 2.620 N/A GLN 285.A N ASP 281.A O no hydrogen 2.717 N/A GLY 286.A N GLY 282.A O no hydrogen 3.269 N/A PHE 287.A N LEU 284.A O no hydrogen 3.361 N/A GLY 288.A N GLN 285.A O no hydrogen 2.671 N/A ASN 289.A ND2 PRO 238.A O no hydrogen 3.307 N/A LYS 291.A NZ GLN 285.A OE1 no hydrogen 3.513 N/A TYR 292.A N ASP 281.A OD2 no hydrogen 2.601 N/A TYR 293.A N ASP 281.A OD1 no hydrogen 3.002 N/A ASN 294.A N ASP 281.A OD2 no hydrogen 3.164 N/A PHE 299.A N ASN 297.A OD1 no hydrogen 3.100 N/A LYS 308.A N PHE 304.A O no hydrogen 2.818 N/A VAL 309.A N PHE 305.A O no hydrogen 2.908 N/A SER 310.A N GLU 306.A O no hydrogen 2.875 N/A SER 310.A OG GLU 306.A O no hydrogen 3.296 N/A SER 310.A OG LYS 307.A O no hydrogen 3.092 N/A ASP 311.A N LYS 307.A O no hydrogen 2.826 N/A TYR 312.A N VAL 309.A O no hydrogen 3.211 N/A GLN 313.A N SER 310.A O no hydrogen 2.813 N/A LYS 314.A N SER 310.A O no hydrogen 3.223 N/A