Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1stc_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLU 3.A OE1 no hydrogen 3.007 N/A LEU 5.A N VAL 1.A O no hydrogen 2.519 N/A ALA 6.A N LYS 2.A O no hydrogen 2.852 N/A LYS 7.A N PHE 4.A O no hydrogen 3.130 N/A LYS 7.A NZ GLU 3.A O no hydrogen 3.319 N/A ALA 8.A N PHE 4.A O no hydrogen 3.158 N/A ALA 8.A N LEU 5.A O no hydrogen 3.146 N/A LYS 9.A N LEU 5.A O no hydrogen 2.871 N/A ASP 11.A N LYS 7.A O no hydrogen 3.267 N/A PHE 12.A N ALA 8.A O no hydrogen 2.568 N/A LEU 13.A N LYS 9.A O no hydrogen 2.919 N/A LYS 14.A N GLU 10.A O no hydrogen 3.209 N/A LYS 15.A N ASP 11.A O no hydrogen 3.391 N/A TRP 16.A N PHE 12.A O no hydrogen 2.767 N/A GLU 17.A N LEU 13.A O no hydrogen 3.045 N/A ASN 18.A N LYS 14.A O no hydrogen 3.118 N/A GLN 21.A NE2 GLU 333.A O no hydrogen 3.066 N/A THR 23.A N SER 95.A O no hydrogen 2.959 N/A ASP 27.A N HIS 25.A ND1 no hydrogen 2.767 N/A GLN 28.A N HIS 25.A O no hydrogen 3.290 N/A PHE 29.A N LEU 26.A O no hydrogen 3.162 N/A GLU 30.A N LYS 47.A O no hydrogen 2.651 N/A ILE 32.A N LEU 45.A O no hydrogen 2.695 N/A LYS 33.A N LEU 45.A O no hydrogen 3.440 N/A THR 34.A N GLU 317.A OE2 no hydrogen 2.616 N/A THR 34.A OG1 GLU 317.A OE1 no hydrogen 2.507 N/A THR 34.A OG1 GLU 317.A OE2 no hydrogen 3.024 N/A LEU 35.A N VAL 43.A O no hydrogen 3.146 N/A GLY 38.A N GLY 41.A O no hydrogen 3.251 N/A ARG 42.A N ILE 59.A O no hydrogen 3.055 N/A ARG 42.A NH1 GLU 318.A O no hydrogen 3.012 N/A ARG 42.A NH2 THR 34.A OG1 no hydrogen 2.511 N/A VAL 43.A N GLY 36.A O no hydrogen 3.271 N/A MET 44.A N MET 57.A O no hydrogen 2.597 N/A LEU 45.A N LYS 33.A O no hydrogen 2.885 N/A VAL 46.A N TYR 55.A O no hydrogen 2.711 N/A LYS 47.A N GLU 30.A O no hydrogen 2.590 N/A HIS 48.A N ASN 53.A O no hydrogen 2.845 N/A MET 49.A N GLN 28.A O no hydrogen 3.443 N/A THR 51.A N HIS 48.A O no hydrogen 3.371 N/A GLY 52.A N HIS 48.A O no hydrogen 2.418 N/A HIS 54.A NE2 PRO 306.A O no hydrogen 3.038 N/A TYR 55.A N VAL 46.A O no hydrogen 2.800 N/A ALA 56.A N MET 106.A O no hydrogen 3.152 N/A MET 57.A N MET 44.A O no hydrogen 2.682 N/A LYS 58.A N MET 104.A O no hydrogen 2.807 N/A LYS 58.A NZ GLU 77.A OE2 no hydrogen 2.608 N/A ILE 59.A N ARG 42.A O no hydrogen 2.842 N/A LEU 60.A N LEU 102.A O no hydrogen 2.957 N/A LYS 62.A N SER 100.A O no hydrogen 3.108 N/A LYS 62.A NZ ASP 98.A O no hydrogen 2.875 N/A LYS 62.A NZ LYS 326.A O no hydrogen 3.156 N/A LYS 64.A N ASP 61.A OD2 no hydrogen 2.715 N/A LYS 64.A NZ SER 39.A O no hydrogen 2.880 N/A VAL 65.A N ASP 61.A O no hydrogen 2.885 N/A VAL 66.A N LYS 62.A O no hydrogen 2.911 N/A LYS 67.A N GLN 63.A O no hydrogen 2.839 N/A LEU 68.A N LYS 64.A O no hydrogen 2.877 N/A LYS 69.A N VAL 66.A O no hydrogen 2.462 N/A GLN 70.A N VAL 65.A O no hydrogen 2.754 N/A GLN 70.A NE2 LEU 68.A O no hydrogen 3.082 N/A HIS 73.A ND1 GLN 70.A OE1 no hydrogen 2.639 N/A THR 74.A N GLN 70.A O no hydrogen 3.051 N/A THR 74.A OG1 GLN 70.A O no hydrogen 2.746 N/A LEU 75.A N ILE 71.A O no hydrogen 3.129 N/A ASN 76.A N GLU 72.A O no hydrogen 2.862 N/A ASN 76.A ND2 ALA 174.A O no hydrogen 2.618 N/A GLU 77.A N HIS 73.A O no hydrogen 3.022 N/A LYS 78.A NZ ALA 20.A O no hydrogen 2.908 N/A LYS 78.A NZ PHE 334.A OXT no hydrogen 2.466 N/A ARG 79.A N LEU 75.A O no hydrogen 2.817 N/A ILE 80.A N ASN 76.A O no hydrogen 2.700 N/A LEU 81.A N GLU 77.A O no hydrogen 3.121 N/A GLN 82.A N LYS 78.A O no hydrogen 3.390 N/A GLN 82.A NE2 LYS 15.A O no hydrogen 3.460 N/A GLN 82.A NE2 ARG 79.A O no hydrogen 2.603 N/A ALA 83.A N ILE 80.A O no hydrogen 3.159 N/A ASN 85.A N TYR 142.A OH no hydrogen 2.808 N/A LEU 89.A N PHE 86.A O no hydrogen 3.112 N/A VAL 90.A N VAL 168.A O no hydrogen 2.812 N/A LYS 91.A N GLU 107.A OE2 no hydrogen 2.792 N/A LYS 91.A NZ PHE 86.A O no hydrogen 2.565 N/A LYS 91.A NZ LEU 89.A O no hydrogen 2.553 N/A GLU 93.A N VAL 105.A O no hydrogen 2.652 N/A PHE 94.A N VAL 105.A O no hydrogen 3.185 N/A PHE 96.A N TYR 103.A O no hydrogen 3.341 N/A LYS 97.A NZ PHE 331.A O no hydrogen 2.553 N/A LYS 97.A NZ PHE 334.A O no hydrogen 2.589 N/A ASP 98.A N ASN 101.A O no hydrogen 3.031 N/A ASN 99.A ND2 ILE 323.A O no hydrogen 3.489 N/A SER 100.A OG ASN 101.A OD1 no hydrogen 2.869 N/A ASN 101.A N ASP 98.A OD1 no hydrogen 2.812 N/A LEU 102.A N LEU 60.A O no hydrogen 3.115 N/A TYR 103.A N PHE 96.A O no hydrogen 2.940 N/A TYR 103.A OH ASP 98.A OD1 no hydrogen 3.277 N/A TYR 103.A OH ASP 98.A OD2 no hydrogen 2.884 N/A MET 104.A N LYS 58.A O no hydrogen 3.116 N/A VAL 105.A N PHE 94.A O no hydrogen 3.057 N/A MET 106.A N ALA 56.A O no hydrogen 2.927 N/A GLU 107.A N LYS 91.A O no hydrogen 2.948 N/A MET 114.A N LEU 158.A O no hydrogen 2.787 N/A HIS 117.A ND1 GLU 113.A O no hydrogen 2.834 N/A LEU 118.A N MET 114.A O no hydrogen 2.858 N/A ARG 119.A N PHE 115.A O no hydrogen 2.913 N/A ARG 119.A NH1 GLU 215.A OE2 no hydrogen 3.287 N/A ARG 119.A NH2 GLU 215.A OE2 no hydrogen 3.005 N/A ARG 120.A N SER 116.A O no hydrogen 3.181 N/A ILE 121.A N HIS 117.A O no hydrogen 3.161 N/A GLY 122.A N LEU 118.A O no hydrogen 3.048 N/A ARG 123.A NH1 ALA 217.A O no hydrogen 3.550 N/A PHE 124.A N MET 216.A O no hydrogen 2.811 N/A HIS 128.A N SER 125.A OG no hydrogen 3.266 N/A HIS 128.A NE2 TYR 132.A OH no hydrogen 2.737 N/A ALA 129.A N SER 125.A O no hydrogen 2.955 N/A ARG 130.A N GLU 126.A O no hydrogen 2.701 N/A ARG 130.A NE TRP 281.A O no hydrogen 2.826 N/A PHE 131.A N PRO 127.A O no hydrogen 2.986 N/A TYR 132.A OH HIS 128.A NE2 no hydrogen 2.737 N/A ALA 133.A N ALA 129.A O no hydrogen 2.842 N/A ALA 134.A N ARG 130.A O no hydrogen 2.813 N/A GLN 135.A NE2 PHE 131.A O no hydrogen 3.527 N/A ILE 136.A N TYR 132.A O no hydrogen 3.001 N/A ILE 136.A N ALA 133.A O no hydrogen 2.671 N/A VAL 137.A N ALA 133.A O no hydrogen 2.664 N/A LEU 138.A N ALA 134.A O no hydrogen 3.166 N/A THR 139.A N GLN 135.A O no hydrogen 3.338 N/A THR 139.A OG1 GLN 135.A O no hydrogen 2.331 N/A PHE 140.A N ILE 136.A O no hydrogen 2.908 N/A GLU 141.A N VAL 137.A O no hydrogen 3.060 N/A TYR 142.A N LEU 138.A O no hydrogen 2.972 N/A LEU 143.A N THR 139.A O no hydrogen 3.062 N/A HIS 144.A N PHE 140.A O no hydrogen 2.565 N/A SER 145.A N GLU 141.A O no hydrogen 3.067 N/A SER 145.A OG TYR 142.A O no hydrogen 2.784 N/A LEU 146.A N TYR 142.A O no hydrogen 3.344 N/A LEU 146.A N LEU 143.A O no hydrogen 3.012 N/A ASP 147.A N HIS 144.A O no hydrogen 2.787 N/A LEU 148.A N LEU 143.A O no hydrogen 3.195 N/A ILE 149.A N LYS 175.A O no hydrogen 2.944 N/A TYR 150.A N ASP 205.A OD2 no hydrogen 2.662 N/A TYR 150.A OH ASP 170.A O no hydrogen 2.403 N/A ARG 151.A N ASP 205.A OD1 no hydrogen 2.575 N/A ARG 151.A NE PHE 173.A O no hydrogen 2.669 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.612 N/A ASN 157.A N LYS 154.A O no hydrogen 2.674 N/A ASN 157.A ND2 ASP 152.A O no hydrogen 2.492 N/A LEU 158.A N PRO 155.A O no hydrogen 3.024 N/A LEU 159.A N GLN 167.A O no hydrogen 3.193 N/A ILE 160.A N GLY 112.A O no hydrogen 3.071 N/A ASP 161.A N TYR 165.A O no hydrogen 2.567 N/A GLN 162.A NE2 PRO 301.A O no hydrogen 2.868 N/A GLY 164.A N ASP 161.A O no hydrogen 2.947 N/A TYR 165.A N ASP 161.A OD1 no hydrogen 2.467 N/A TYR 165.A OH VAL 295.A O no hydrogen 2.578 N/A ILE 166.A N GLN 135.A OE1 no hydrogen 2.753 N/A GLN 167.A N LEU 159.A O no hydrogen 2.744 N/A GLN 167.A NE2 PRO 87.A O no hydrogen 3.314 N/A GLN 167.A NE2 ILE 166.A O no hydrogen 2.728 N/A VAL 168.A N PHE 88.A O no hydrogen 2.947 N/A PHE 171.A N GLU 77.A OE1 no hydrogen 2.800 N/A ALA 174.A N PHE 171.A O no hydrogen 3.147 N/A LYS 175.A N ILE 149.A O no hydrogen 3.049 N/A LYS 175.A NZ THR 181.A OG1 no hydrogen 2.482 N/A ARG 176.A NE LEU 146.A O no hydrogen 2.717 N/A ARG 176.A NH2 LEU 146.A O no hydrogen 2.643 N/A VAL 177.A N ASP 147.A O no hydrogen 2.655 N/A THR 181.A N TYR 200.A O no hydrogen 2.968 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.895 N/A TYR 189.A N THR 186.A O no hydrogen 2.609 N/A TYR 189.A OH GLU 215.A OE1 no hydrogen 3.088 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 3.215 N/A ILE 194.A N ALA 191.A O no hydrogen 2.844 N/A ILE 195.A N ALA 191.A O no hydrogen 3.158 N/A LEU 196.A N PRO 192.A O no hydrogen 2.678 N/A LYS 198.A N GLU 193.A O no hydrogen 3.108 N/A TYR 200.A N THR 181.A O no hydrogen 2.958 N/A LYS 202.A NZ HIS 144.A O no hydrogen 3.148 N/A LYS 202.A NZ ASP 147.A OD1 no hydrogen 2.875 N/A ALA 203.A N ASN 201.A OD1 no hydrogen 2.476 N/A TRP 206.A N ALA 203.A O no hydrogen 2.955 N/A TRP 207.A N ALA 203.A O no hydrogen 3.160 N/A TRP 207.A N VAL 204.A O no hydrogen 2.641 N/A ALA 208.A N VAL 204.A O no hydrogen 2.875 N/A GLY 210.A N TRP 206.A O no hydrogen 3.363 N/A VAL 211.A N TRP 207.A O no hydrogen 3.062 N/A LEU 212.A N ALA 208.A O no hydrogen 3.043 N/A ILE 213.A N LEU 209.A O no hydrogen 2.797 N/A TYR 214.A N GLY 210.A O no hydrogen 3.055 N/A TYR 214.A OH ARG 241.A O no hydrogen 2.621 N/A GLU 215.A N VAL 211.A O no hydrogen 2.828 N/A MET 216.A N LEU 212.A O no hydrogen 2.955 N/A ALA 217.A N ILE 213.A O no hydrogen 3.357 N/A ALA 218.A N TYR 214.A O no hydrogen 2.905 N/A GLY 219.A N GLU 215.A O no hydrogen 2.740 N/A GLN 230.A N GLN 227.A O no hydrogen 3.042 N/A ILE 231.A N GLN 227.A O no hydrogen 3.277 N/A ILE 231.A N PRO 228.A O no hydrogen 2.581 N/A TYR 232.A N PRO 228.A O no hydrogen 2.794 N/A GLU 233.A N ILE 229.A O no hydrogen 3.145 N/A LYS 234.A N GLN 230.A O no hydrogen 3.102 N/A LYS 234.A NZ PRO 222.A O no hydrogen 3.405 N/A LYS 234.A NZ PHE 224.A O no hydrogen 3.199 N/A ILE 235.A N ILE 231.A O no hydrogen 2.809 N/A VAL 236.A N TYR 232.A O no hydrogen 3.030 N/A SER 237.A N LYS 234.A O no hydrogen 3.201 N/A SER 237.A OG LYS 234.A O no hydrogen 2.531 N/A GLY 238.A N ILE 235.A O no hydrogen 2.576 N/A LYS 239.A N SER 237.A OG no hydrogen 3.106 N/A PHE 246.A N PRO 243.A O no hydrogen 2.841 N/A SER 247.A N GLU 126.A OE2 no hydrogen 2.874 N/A SER 247.A OG GLU 126.A OE1 no hydrogen 2.517 N/A SER 247.A OG GLU 126.A OE2 no hydrogen 3.305 N/A LEU 250.A N SER 247.A OG no hydrogen 2.831 N/A LYS 251.A N SER 247.A O no hydrogen 2.906 N/A ASP 252.A N SER 248.A O no hydrogen 2.689 N/A LEU 253.A N ASP 249.A O no hydrogen 3.111 N/A LEU 254.A N LEU 250.A O no hydrogen 3.328 N/A ARG 255.A N LYS 251.A O no hydrogen 2.936 N/A ASN 256.A N ASP 252.A O no hydrogen 3.151 N/A ASN 256.A N LEU 253.A O no hydrogen 3.085 N/A ASN 256.A ND2 ASP 252.A O no hydrogen 2.506 N/A LEU 257.A N LEU 253.A O no hydrogen 2.877 N/A LEU 257.A N LEU 254.A O no hydrogen 3.240 N/A LEU 258.A N LEU 254.A O no hydrogen 2.759 N/A ASP 261.A N GLN 259.A OE1 no hydrogen 2.748 N/A LYS 264.A N ASP 261.A O no hydrogen 2.805 N/A ARG 265.A N LEU 262.A O no hydrogen 3.021 N/A ARG 265.A NE GLN 259.A O no hydrogen 2.790 N/A ARG 265.A NH1 GLU 193.A OE1 no hydrogen 3.457 N/A ARG 265.A NH1 GLU 193.A OE2 no hydrogen 2.583 N/A ARG 265.A NH1 ALA 203.A O no hydrogen 3.537 N/A ARG 265.A NH2 GLU 193.A OE1 no hydrogen 3.086 N/A ARG 265.A NH2 GLN 259.A O no hydrogen 2.364 N/A PHE 266.A N ASN 256.A O no hydrogen 2.993 N/A ASN 268.A N ARG 265.A O no hydrogen 3.015 N/A LYS 270.A NZ ASP 275.A OD2 no hydrogen 3.230 N/A ASN 274.A ND2 ASN 278.A OD1 no hydrogen 3.593 N/A ASP 275.A N GLY 272.A O no hydrogen 3.055 N/A ILE 276.A N VAL 273.A O no hydrogen 2.639 N/A LYS 277.A N VAL 273.A O no hydrogen 2.751 N/A ASN 278.A N ASN 274.A O no hydrogen 2.948 N/A HIS 279.A N ILE 276.A O no hydrogen 3.012 N/A HIS 279.A NE2 ASP 252.A OD2 no hydrogen 2.384 N/A TRP 281.A N HIS 279.A ND1 no hydrogen 3.117 N/A TRP 281.A NE1 GLU 126.A OE1 no hydrogen 3.108 N/A PHE 282.A N HIS 279.A O no hydrogen 2.583 N/A ALA 283.A N LYS 280.A O no hydrogen 2.885 N/A THR 285.A N PHE 282.A O no hydrogen 2.657 N/A THR 285.A OG1 PHE 282.A O no hydrogen 3.336 N/A TRP 287.A NE1 LYS 277.A O no hydrogen 2.970 N/A ALA 289.A N ASP 286.A OD1 no hydrogen 3.306 N/A ILE 290.A N ASP 286.A O no hydrogen 3.019 N/A TYR 291.A N TRP 287.A O no hydrogen 3.223 N/A GLN 292.A N ILE 288.A O no hydrogen 2.709 N/A ARG 293.A N ILE 290.A O no hydrogen 2.956 N/A LYS 294.A N ALA 289.A O no hydrogen 2.707 N/A ASP 308.A N GLY 305.A O no hydrogen 3.248 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.959 N/A PHE 331.A N GLY 328.A O no hydrogen 2.848 N/A SER 332.A N LYS 329.A O no hydrogen 3.378 N/A PHE 334.A N PHE 331.A O no hydrogen 2.610 N/A