Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ THR 4.A OG1 no hydrogen 3.007 N/A THR 4.A N TYR 22.A O no hydrogen 2.888 N/A VAL 6.A N VAL 20.A O no hydrogen 2.632 N/A ALA 8.A N GLN 18.A O no hydrogen 2.871 N/A THR 9.A N PHE 81.A O no hydrogen 3.105 N/A GLY 11.A N ARG 79.A O no hydrogen 3.049 N/A GLN 12.A N GLN 12.A OE1 no hydrogen 2.968 N/A GLN 18.A N ALA 8.A O no hydrogen 2.758 N/A VAL 20.A N VAL 6.A O no hydrogen 2.781 N/A TYR 22.A N THR 4.A O no hydrogen 2.694 N/A THR 23.A N LYS 40.A O no hydrogen 2.828 N/A THR 23.A OG1 LYS 2.A O no hydrogen 3.084 N/A LYS 26.A N ASP 24.A O no hydrogen 3.099 N/A LYS 26.A NZ GLN 38.A OE1 no hydrogen 3.330 N/A ILE 28.A N VAL 36.A O no hydrogen 2.789 N/A GLY 31.A N GLY 34.A O no hydrogen 2.884 N/A VAL 35.A N LYS 52.A O no hydrogen 3.230 N/A VAL 36.A N GLY 29.A O no hydrogen 3.416 N/A TYR 37.A N ILE 50.A O no hydrogen 2.651 N/A GLN 38.A N LYS 26.A O no hydrogen 2.697 N/A LYS 40.A N THR 23.A O no hydrogen 2.753 N/A LEU 41.A N GLU 46.A O no hydrogen 2.792 N/A CYS 42.A N SER 21.A O no hydrogen 3.138 N/A GLY 45.A N LEU 41.A O no hydrogen 2.759 N/A VAL 48.A N ALA 39.A O no hydrogen 2.772 N/A ALA 49.A N LEU 97.A O no hydrogen 2.881 N/A ILE 50.A N TYR 37.A O no hydrogen 2.739 N/A LYS 51.A N LEU 95.A O no hydrogen 2.815 N/A LYS 51.A NZ GLU 63.A OE1 no hydrogen 3.317 N/A LYS 51.A NZ GLU 63.A OE2 no hydrogen 2.976 N/A LYS 51.A NZ ASP 165.A OD1 no hydrogen 2.840 N/A LYS 52.A N VAL 35.A O no hydrogen 2.957 N/A LYS 52.A NZ SER 85.A O no hydrogen 3.312 N/A LYS 52.A NZ ASN 94.A OD1 no hydrogen 3.323 N/A VAL 53.A N LEU 93.A O no hydrogen 2.980 N/A GLN 55.A N VAL 91.A O no hydrogen 2.935 N/A GLN 55.A NE2 ASP 56.A O no hydrogen 2.587 N/A ASN 61.A ND2 GLN 55.A OE1 no hydrogen 2.910 N/A LEU 64.A N ASN 61.A OD1 no hydrogen 3.027 N/A GLN 65.A N ASN 61.A O no hydrogen 3.139 N/A GLN 65.A NE2 ASN 61.A O no hydrogen 3.651 N/A ILE 66.A N ARG 62.A O no hydrogen 3.206 N/A MET 67.A N GLU 63.A O no hydrogen 2.809 N/A ARG 68.A N LEU 64.A O no hydrogen 2.995 N/A ARG 68.A NE GLY 11.A O no hydrogen 3.352 N/A LYS 69.A N GLN 65.A O no hydrogen 3.237 N/A LYS 69.A N ILE 66.A O no hydrogen 2.641 N/A LEU 70.A N MET 67.A O no hydrogen 3.068 N/A ASP 71.A N TYR 136.A OH no hydrogen 2.982 N/A HIS 72.A NE2 GLU 329.A OE1 no hydrogen 3.178 N/A CYS 73.A SG ASN 74.A OD1 no hydrogen 3.948 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 3.008 N/A ASN 74.A ND2 LEU 161.A O no hydrogen 3.051 N/A ILE 75.A N HIS 72.A O no hydrogen 3.082 N/A VAL 76.A N LEU 163.A O no hydrogen 3.052 N/A ARG 77.A N ASP 98.A OD2 no hydrogen 2.782 N/A ARG 79.A N VAL 96.A O no hydrogen 2.703 N/A ARG 79.A NE ASP 98.A OD1 no hydrogen 3.194 N/A ARG 79.A NH2 GLU 46.A OE2 no hydrogen 3.131 N/A ARG 79.A NH2 ASP 98.A OD1 no hydrogen 2.900 N/A PHE 81.A N THR 9.A O no hydrogen 2.967 N/A SER 84.A N TYR 92.A O no hydrogen 2.907 N/A LYS 87.A N TYR 92.A OH no hydrogen 3.167 N/A TYR 92.A N SER 84.A O no hydrogen 2.900 N/A LEU 93.A N VAL 53.A O no hydrogen 2.811 N/A ASN 94.A N PHE 82.A O no hydrogen 2.783 N/A ASN 94.A ND2 PHE 82.A O no hydrogen 3.151 N/A ASN 94.A ND2 SER 84.A OG no hydrogen 3.040 N/A LEU 95.A N LYS 51.A O no hydrogen 3.196 N/A VAL 96.A N TYR 80.A O no hydrogen 2.800 N/A LEU 97.A N ALA 49.A O no hydrogen 2.796 N/A ASP 98.A N ARG 77.A O no hydrogen 2.956 N/A GLU 102.A N LEU 154.A O no hydrogen 3.251 N/A VAL 104.A N LEU 152.A O no hydrogen 2.791 N/A TYR 105.A N PRO 149.A O no hydrogen 2.990 N/A ARG 106.A N THR 103.A OG1 no hydrogen 3.254 N/A VAL 107.A N THR 103.A O no hydrogen 3.034 N/A ALA 108.A N VAL 104.A O no hydrogen 2.973 N/A ARG 109.A N TYR 105.A O no hydrogen 3.016 N/A HIS 110.A N ARG 106.A O no hydrogen 2.841 N/A TYR 111.A N VAL 107.A O no hydrogen 3.160 N/A SER 112.A N ALA 108.A O no hydrogen 3.065 N/A SER 112.A OG GLY 218.A O no hydrogen 3.316 N/A ARG 113.A N ARG 109.A O no hydrogen 2.843 N/A ALA 114.A N HIS 110.A O no hydrogen 3.188 N/A LYS 115.A N SER 112.A O no hydrogen 2.942 N/A VAL 123.A N PRO 119.A O no hydrogen 3.392 N/A VAL 123.A N VAL 120.A O no hydrogen 2.671 N/A LYS 124.A N VAL 120.A O no hydrogen 3.061 N/A LYS 124.A NZ GLU 305.A OE1 no hydrogen 2.857 N/A LEU 125.A N ILE 121.A O no hydrogen 3.017 N/A TYR 126.A N TYR 122.A O no hydrogen 3.345 N/A MET 127.A N VAL 123.A O no hydrogen 2.805 N/A TYR 128.A N LYS 124.A O no hydrogen 2.824 N/A TYR 128.A OH LEU 322.A O no hydrogen 2.646 N/A GLN 129.A N LEU 125.A O no hydrogen 3.341 N/A GLN 129.A NE2 LEU 125.A O no hydrogen 3.037 N/A GLN 129.A NE2 ALA 159.A O no hydrogen 2.774 N/A LEU 130.A N TYR 126.A O no hydrogen 2.913 N/A PHE 131.A N MET 127.A O no hydrogen 3.092 N/A ARG 132.A N TYR 128.A O no hydrogen 2.901 N/A ARG 132.A NE GLU 329.A OE1 no hydrogen 3.117 N/A ARG 132.A NH1 ASN 324.A OD1 no hydrogen 2.896 N/A ARG 132.A NH2 ASN 324.A OD1 no hydrogen 3.207 N/A ARG 132.A NH2 GLU 329.A OE1 no hydrogen 3.542 N/A ARG 132.A NH2 GLU 329.A OE2 no hydrogen 3.020 N/A SER 133.A N GLN 129.A O no hydrogen 3.011 N/A SER 133.A OG LEU 130.A O no hydrogen 2.927 N/A LEU 134.A N LEU 130.A O no hydrogen 2.829 N/A ALA 135.A N PHE 131.A O no hydrogen 2.803 N/A TYR 136.A N ARG 132.A O no hydrogen 2.969 N/A TYR 136.A N SER 133.A O no hydrogen 3.111 N/A ILE 137.A N SER 133.A O no hydrogen 2.954 N/A HIS 138.A N LEU 134.A O no hydrogen 2.750 N/A HIS 138.A NE2 ASP 204.A OD2 no hydrogen 2.922 N/A SER 139.A N TYR 136.A O no hydrogen 3.146 N/A SER 139.A OG TYR 136.A O no hydrogen 2.674 N/A PHE 140.A N ILE 137.A O no hydrogen 3.034 N/A GLY 141.A N HIS 138.A O no hydrogen 2.711 N/A ILE 142.A N ILE 137.A O no hydrogen 3.125 N/A CYS 143.A N LYS 170.A O no hydrogen 3.035 N/A CYS 143.A SG SER 201.A OG no hydrogen 3.528 N/A CYS 143.A SG ASP 204.A OD2 no hydrogen 3.609 N/A HIS 144.A N ASP 204.A OD2 no hydrogen 2.612 N/A HIS 144.A NE2 CYS 164.A O no hydrogen 2.963 N/A ARG 145.A N ASP 204.A OD1 no hydrogen 3.078 N/A ARG 145.A NE SER 168.A O no hydrogen 3.001 N/A ARG 145.A NH1 SER 168.A O no hydrogen 3.353 N/A ARG 145.A NH2 TYR 199.A OH no hydrogen 3.020 N/A LYS 148.A NZ ASP 146.A OD2 no hydrogen 2.835 N/A LYS 148.A NZ SER 184.A OG no hydrogen 3.022 N/A ASN 151.A N LYS 148.A O no hydrogen 2.899 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.785 N/A LEU 152.A N PRO 149.A O no hydrogen 3.396 N/A LEU 153.A N LYS 162.A O no hydrogen 2.755 N/A LEU 154.A N GLU 102.A O no hydrogen 2.777 N/A ASP 155.A N VAL 160.A O no hydrogen 2.676 N/A THR 158.A N ASP 155.A OD1 no hydrogen 3.016 N/A ALA 159.A N ASP 155.A O no hydrogen 2.820 N/A VAL 160.A N THR 158.A OG1 no hydrogen 2.990 N/A LEU 161.A N GLN 129.A OE1 no hydrogen 3.100 N/A LYS 162.A N LEU 153.A O no hydrogen 2.722 N/A LYS 162.A NZ CYS 73.A O no hydrogen 3.420 N/A LYS 162.A NZ ASP 98.A OD2 no hydrogen 3.038 N/A LEU 163.A N ASN 74.A O no hydrogen 3.018 N/A CYS 164.A N ASN 151.A O no hydrogen 3.052 N/A CYS 164.A SG ASN 151.A O no hydrogen 3.685 N/A GLY 167.A N ASP 165.A OD1 no hydrogen 3.101 N/A ALA 169.A N PHE 166.A O no hydrogen 3.151 N/A LYS 170.A N CYS 143.A O no hydrogen 3.032 N/A LYS 170.A NZ ASN 178.A OD1 no hydrogen 2.403 N/A LEU 172.A N GLY 141.A O no hydrogen 3.054 N/A GLU 176.A N VAL 173.A O no hydrogen 3.199 N/A ASN 178.A N THR 197.A O no hydrogen 2.818 N/A ASN 178.A ND2 THR 197.A O no hydrogen 3.199 N/A SER 180.A OG GLY 195.A O no hydrogen 3.207 N/A CYS 183.A SG SER 207.A OG no hydrogen 3.670 N/A SER 184.A OG ASP 146.A OD1 no hydrogen 3.305 N/A ARG 185.A NH1 GLY 224.A O no hydrogen 2.935 N/A TYR 187.A N SER 184.A O no hydrogen 2.953 N/A TYR 187.A OH GLU 214.A OE1 no hydrogen 2.589 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.494 N/A LEU 192.A N ALA 189.A O no hydrogen 2.689 N/A ILE 193.A N ALA 189.A O no hydrogen 3.121 N/A PHE 194.A N PRO 190.A O no hydrogen 2.849 N/A GLY 195.A N LEU 192.A O no hydrogen 2.815 N/A ALA 196.A N GLU 191.A O no hydrogen 2.798 N/A TYR 199.A OH VAL 179.A O no hydrogen 2.715 N/A THR 200.A OG1 SER 202.A OG no hydrogen 2.676 N/A SER 201.A OG ILE 142.A O no hydrogen 3.402 N/A SER 202.A OG THR 200.A OG1 no hydrogen 2.676 N/A SER 202.A OG PRO 288.A O no hydrogen 3.214 N/A ILE 203.A N THR 200.A O no hydrogen 3.285 N/A ASP 204.A N SER 201.A O no hydrogen 3.230 N/A TRP 206.A N SER 202.A O no hydrogen 3.312 N/A SER 207.A N ILE 203.A O no hydrogen 3.112 N/A SER 207.A OG TYR 187.A O no hydrogen 3.043 N/A SER 207.A OG ILE 203.A O no hydrogen 3.542 N/A ALA 208.A N ASP 204.A O no hydrogen 3.086 N/A GLY 209.A N VAL 205.A O no hydrogen 3.056 N/A CYS 210.A N TRP 206.A O no hydrogen 3.002 N/A CYS 210.A SG TYR 186.A O.A no hydrogen 3.689 N/A CYS 210.A SG TYR 186.A O.B no hydrogen 3.750 N/A CYS 210.A SG TRP 206.A O no hydrogen 3.429 N/A VAL 211.A N SER 207.A O no hydrogen 2.851 N/A LEU 212.A N ALA 208.A O no hydrogen 2.795 N/A ALA 213.A N GLY 209.A O no hydrogen 2.867 N/A GLU 214.A N CYS 210.A O no hydrogen 2.800 N/A LEU 215.A N VAL 211.A O no hydrogen 3.133 N/A LEU 216.A N LEU 212.A O no hydrogen 2.893 N/A LEU 217.A N GLU 214.A O no hydrogen 3.381 N/A GLN 230.A N SER 226.A O no hydrogen 3.122 N/A GLN 230.A NE2 GLY 224.A O no hydrogen 3.074 N/A LEU 231.A N GLY 227.A O no hydrogen 2.951 N/A VAL 232.A N VAL 228.A O no hydrogen 3.041 N/A GLU 233.A N ASP 229.A O no hydrogen 3.213 N/A ILE 234.A N GLN 230.A O no hydrogen 2.876 N/A ILE 235.A N LEU 231.A O no hydrogen 2.707 N/A LYS 236.A N VAL 232.A O no hydrogen 2.774 N/A VAL 237.A N ILE 234.A O no hydrogen 3.319 N/A LEU 238.A N ILE 234.A O no hydrogen 2.953 N/A GLY 239.A N ILE 235.A O no hydrogen 2.644 N/A THR 240.A N ILE 259.A O no hydrogen 2.999 N/A THR 240.A OG1 PRO 257.A O no hydrogen 3.087 N/A THR 240.A OG1 ILE 259.A O no hydrogen 3.206 N/A THR 242.A OG1 GLN 245.A OE1 no hydrogen 3.500 N/A GLN 245.A N THR 242.A OG1 no hydrogen 3.044 N/A ILE 246.A N THR 242.A O no hydrogen 2.684 N/A ARG 247.A N ARG 243.A O no hydrogen 2.936 N/A GLU 248.A N GLU 244.A O no hydrogen 3.295 N/A MET 249.A N GLN 245.A O no hydrogen 3.175 N/A ASN 250.A N ILE 246.A O no hydrogen 3.012 N/A TYR 253.A N PRO 251.A O no hydrogen 2.439 N/A THR 254.A N PRO 251.A O no hydrogen 2.703 N/A ILE 259.A N THR 240.A OG1 no hydrogen 2.595 N/A LYS 266.A N PRO 263.A O no hydrogen 2.574 N/A VAL 267.A N TRP 264.A O no hydrogen 2.832 N/A ARG 269.A NH2 LEU 216.A O no hydrogen 3.262 N/A THR 272.A N ARG 269.A O no hydrogen 3.466 N/A THR 272.A OG1 ARG 269.A O no hydrogen 3.479 N/A ALA 276.A N PRO 273.A O no hydrogen 3.018 N/A ALA 278.A N PRO 274.A O no hydrogen 2.985 N/A LEU 279.A N GLU 275.A O no hydrogen 2.977 N/A CYS 280.A N ALA 276.A O no hydrogen 2.981 N/A CYS 280.A SG ALA 276.A O no hydrogen 3.720 N/A SER 281.A N ILE 277.A O no hydrogen 3.017 N/A SER 281.A OG ILE 277.A O no hydrogen 3.176 N/A SER 281.A OG ALA 278.A O no hydrogen 2.637 N/A ARG 282.A N ALA 278.A O no hydrogen 3.319 N/A ARG 282.A N LEU 279.A O no hydrogen 2.777 N/A ARG 282.A NH1 ALA 290.A O no hydrogen 3.166 N/A ARG 282.A NH2 ALA 290.A O no hydrogen 3.555 N/A LEU 283.A N CYS 280.A O no hydrogen 2.901 N/A LEU 284.A N CYS 280.A O no hydrogen 2.838 N/A TYR 286.A OH GLY 239.A O no hydrogen 2.927 N/A ALA 290.A N THR 287.A O no hydrogen 2.807 N/A ARG 291.A NE GLU 285.A O no hydrogen 2.684 N/A ARG 291.A NH1 GLU 191.A OE2 no hydrogen 2.961 N/A ARG 291.A NH1 SER 202.A O no hydrogen 3.078 N/A ARG 291.A NH2 GLU 191.A OE1 no hydrogen 2.842 N/A ARG 291.A NH2 GLU 191.A OE2 no hydrogen 2.958 N/A ARG 291.A NH2 GLU 285.A O no hydrogen 3.180 N/A ARG 291.A NH2 TYR 286.A O no hydrogen 3.039 N/A LEU 292.A N ARG 282.A O no hydrogen 2.988 N/A THR 293.A N GLU 296.A OE1 no hydrogen 2.717 N/A GLU 296.A N THR 293.A OG1 no hydrogen 2.955 N/A ALA 297.A N THR 293.A O no hydrogen 2.819 N/A CYS 298.A N PRO 294.A O no hydrogen 2.949 N/A CYS 298.A SG TYR 128.A O no hydrogen 3.842 N/A CYS 298.A SG PRO 294.A O no hydrogen 3.805 N/A ALA 299.A N LEU 295.A O no hydrogen 3.332 N/A ALA 299.A N GLU 296.A O no hydrogen 3.266 N/A PHE 302.A N HIS 300.A ND1 no hydrogen 2.883 N/A PHE 303.A N HIS 300.A O no hydrogen 2.971 N/A ASP 304.A N SER 301.A O no hydrogen 2.790 N/A LEU 306.A N PHE 303.A O no hydrogen 2.853 N/A ARG 307.A N ASP 304.A O no hydrogen 2.956 N/A ARG 307.A NH1 HIS 300.A O no hydrogen 2.679 N/A ARG 307.A NH1 ASP 304.A OD1 no hydrogen 2.663 N/A ARG 307.A NH2 CYS 298.A O no hydrogen 2.964 N/A ASP 308.A N GLU 305.A O no hydrogen 3.361 N/A VAL 311.A N ASP 308.A O no hydrogen 3.168 N/A LEU 313.A N ARG 317.A O no hydrogen 2.900 N/A ASN 315.A ND2 ASP 157.A O no hydrogen 3.555 N/A GLY 316.A N LEU 313.A O no hydrogen 2.645 N/A PHE 325.A N PHE 323.A O no hydrogen 2.625 N/A THR 326.A OG1 GLU 329.A OE2 no hydrogen 3.555 N/A GLN 328.A NE2 SER 139.A OG no hydrogen 2.896 N/A GLU 329.A N THR 326.A OG1 no hydrogen 3.155 N/A LEU 330.A N THR 326.A O no hydrogen 3.322 N/A SER 331.A N GLN 328.A O no hydrogen 2.994 N/A SER 331.A OG GLN 328.A O no hydrogen 2.617 N/A ASN 333.A N LEU 330.A O no hydrogen 2.994 N/A ALA 337.A N PRO 334.A O no hydrogen 2.793 N/A THR 338.A N PRO 335.A O no hydrogen 3.363 N/A THR 338.A OG1 PRO 335.A O no hydrogen 3.057 N/A ILE 339.A N LEU 336.A O no hydrogen 2.969 N/A LEU 340.A N LEU 336.A O no hydrogen 2.964 N/A ILE 341.A N ALA 337.A O no hydrogen 2.710 N/A ALA 345.A N PRO 342.A O no hydrogen 2.750 N/A ARG 346.A N PRO 343.A O no hydrogen 2.803 N/A ARG 346.A NE ILE 341.A O no hydrogen 2.763 N/A ARG 346.A NH2 ILE 341.A O no hydrogen 3.221 N/A