Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N HIS 146.A O no hydrogen 2.683 N/A GLU 2.A N LEU 147.A O no hydrogen 2.994 N/A ALA 4.A N LEU 168.A O no hydrogen 3.174 N/A VAL 6.A N LEU 166.A O no hydrogen 2.526 N/A LEU 8.A N SER 164.A O no hydrogen 2.682 N/A THR 9.A N PHE 17.A O no hydrogen 2.887 N/A TYR 11.A N GLN 15.A O no hydrogen 2.745 N/A SER 14.A N TYR 11.A O no hydrogen 3.413 N/A GLN 15.A N TYR 11.A O no hydrogen 3.299 N/A TYR 16.A OH ASP 13.A OD2 no hydrogen 3.342 N/A PHE 17.A N THR 9.A O no hydrogen 2.984 N/A GLY 18.A N VAL 31.A O no hydrogen 2.998 N/A ILE 20.A N PHE 29.A O no hydrogen 3.112 N/A TYR 21.A N THR 92.A O no hydrogen 3.133 N/A LEU 22.A N GLN 27.A O no hydrogen 2.904 N/A GLY 23.A N THR 90.A O no hydrogen 2.771 N/A THR 24.A N SER 63.A OG no hydrogen 3.345 N/A THR 24.A OG1 THR 65.A OG1 no hydrogen 2.409 N/A GLN 27.A N LEU 22.A O no hydrogen 2.730 N/A PHE 29.A N ILE 20.A O no hydrogen 2.971 N/A THR 30.A N ASP 120.A OD2 no hydrogen 2.970 N/A VAL 31.A N GLY 18.A O no hydrogen 2.840 N/A LEU 32.A N GLY 121.A O no hydrogen 2.971 N/A ASP 34.A N LEU 123.A O no hydrogen 2.919 N/A THR 35.A N THR 217.A OG1 no hydrogen 3.100 N/A THR 35.A OG1 LEU 215.A O no hydrogen 2.854 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.717 N/A SER 37.A N ASP 34.A O no hydrogen 3.403 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.717 N/A SER 38.A OG TYR 127.A O no hydrogen 2.588 N/A TRP 41.A N ILE 122.A O no hydrogen 2.990 N/A VAL 42.A N GLY 104.A O no hydrogen 3.099 N/A SER 44.A OG SER 106.A O no hydrogen 2.698 N/A ILE 45.A N PHE 58.A O no hydrogen 2.780 N/A TYR 46.A N SER 44.A OG no hydrogen 3.147 N/A CYS 47.A N SER 44.A O no hydrogen 3.150 N/A CYS 47.A SG THR 107.A O no hydrogen 3.604 N/A LYS 53.A N SER 49.A O no hydrogen 3.176 N/A ASN 54.A N ASN 50.A O no hydrogen 3.107 N/A ASN 54.A ND2 THR 115.A O no hydrogen 2.577 N/A HIS 55.A N CYS 52.A O no hydrogen 3.030 N/A HIS 55.A ND1 ALA 51.A O no hydrogen 2.605 N/A HIS 55.A NE2 ALA 117.A O no hydrogen 2.998 N/A GLN 56.A N ASP 120.A OD1 no hydrogen 3.077 N/A PHE 58.A N PRO 43.A O no hydrogen 2.687 N/A ARG 61.A N ASP 59.A OD2 no hydrogen 3.218 N/A ARG 61.A NE ASP 59.A OD1 no hydrogen 3.237 N/A ARG 61.A NE ASP 59.A OD2 no hydrogen 2.617 N/A ARG 61.A NH1 ASP 59.A OD1 no hydrogen 3.115 N/A LYS 62.A N ASP 59.A O no hydrogen 2.923 N/A SER 63.A N PRO 60.A O no hydrogen 3.455 N/A SER 63.A OG THR 65.A OG1 no hydrogen 3.238 N/A SER 63.A OG ASP 89.A OD1 no hydrogen 2.571 N/A SER 63.A OG ASP 89.A OD2 no hydrogen 3.358 N/A SER 64.A N THR 24.A O no hydrogen 2.944 N/A SER 64.A OG THR 24.A O no hydrogen 3.298 N/A THR 65.A N SER 63.A OG no hydrogen 3.053 N/A THR 65.A OG1 THR 24.A OG1 no hydrogen 2.409 N/A THR 65.A OG1 SER 63.A OG no hydrogen 3.238 N/A THR 65.A OG1 ASP 89.A OD2 no hydrogen 2.436 N/A PHE 66.A N SER 63.A O no hydrogen 3.414 N/A GLN 67.A N TYR 88.A O no hydrogen 3.199 N/A LEU 69.A N LEU 86.A O no hydrogen 3.250 N/A GLY 70.A N ASN 68.A OD1 no hydrogen 2.765 N/A LYS 71.A N LEU 69.A O no hydrogen 2.832 N/A LEU 73.A N GLY 84.A O no hydrogen 3.052 N/A ILE 75.A N MET 82.A O no hydrogen 3.285 N/A TYR 77.A N GLY 80.A O no hydrogen 2.754 N/A GLY 80.A N TYR 77.A O no hydrogen 2.852 N/A MET 82.A N ILE 75.A O no hydrogen 3.018 N/A GLN 83.A N GLN 108.A O no hydrogen 2.938 N/A GLY 84.A N LEU 73.A O no hydrogen 2.910 N/A ILE 85.A N LEU 105.A O no hydrogen 2.922 N/A LEU 86.A N LYS 71.A O no hydrogen 2.450 N/A GLY 87.A N VAL 103.A O no hydrogen 2.772 N/A TYR 88.A N GLN 67.A O no hydrogen 2.678 N/A ASP 89.A N GLN 101.A O no hydrogen 3.085 N/A THR 90.A N ASP 89.A OD2 no hydrogen 2.566 N/A VAL 91.A N ASP 98.A O no hydrogen 2.944 N/A THR 92.A N TYR 21.A O no hydrogen 2.951 N/A VAL 93.A N ILE 96.A O no hydrogen 2.640 N/A SER 94.A OG SER 5.A O no hydrogen 3.347 N/A ASN 95.A ND2 VAL 3.A O no hydrogen 3.332 N/A ILE 96.A N VAL 93.A O no hydrogen 2.905 N/A ASP 98.A N VAL 91.A O no hydrogen 2.759 N/A GLN 101.A N ASP 89.A O no hydrogen 3.004 N/A GLN 101.A NE2 ASP 98.A OD1 no hydrogen 2.492 N/A GLN 101.A NE2 ASP 98.A OD2 no hydrogen 3.405 N/A THR 102.A OG1 ILE 136.A O no hydrogen 3.403 N/A VAL 103.A N GLY 87.A O no hydrogen 3.040 N/A GLY 104.A N PHE 40.A O no hydrogen 2.900 N/A LEU 105.A N ILE 85.A O no hydrogen 3.026 N/A SER 106.A N VAL 42.A O no hydrogen 2.877 N/A SER 106.A OG GLU 109.A OE1 no hydrogen 2.700 N/A THR 107.A N GLN 83.A O no hydrogen 2.737 N/A GLN 108.A N GLN 83.A O no hydrogen 3.073 N/A GLN 108.A NE2 THR 107.A O no hydrogen 3.016 N/A GLU 109.A N SER 49.A OG no hydrogen 3.128 N/A THR 115.A OG1 GLY 111.A O no hydrogen 3.159 N/A TYR 116.A N ASP 112.A O no hydrogen 3.287 N/A GLU 118.A N GLN 15.A OE1 no hydrogen 2.715 N/A PHE 119.A N GLN 15.A OE1 no hydrogen 3.352 N/A ASP 120.A N THR 30.A O no hydrogen 2.694 N/A GLY 121.A N THR 30.A O no hydrogen 3.334 N/A ILE 122.A N TRP 41.A O no hydrogen 3.245 N/A LEU 123.A N LEU 32.A O no hydrogen 2.927 N/A GLY 124.A N ASP 39.A O no hydrogen 3.054 N/A MET 125.A N ASP 34.A O no hydrogen 2.669 N/A ALA 126.A N SER 37.A O no hydrogen 3.172 N/A TYR 127.A N GLN 189.A O no hydrogen 2.891 N/A TYR 127.A OH ASN 312.A OD1 no hydrogen 2.554 N/A SER 129.A OG GLN 188.A O no hydrogen 3.076 N/A LEU 130.A N TYR 127.A O no hydrogen 3.178 N/A ALA 131.A N PRO 128.A O no hydrogen 2.590 N/A SER 132.A N ASP 39.A OD1 no hydrogen 2.697 N/A SER 132.A N ASP 39.A OD2 no hydrogen 3.209 N/A SER 132.A OG ASP 39.A OD2 no hydrogen 2.683 N/A SER 135.A N SER 132.A O no hydrogen 3.094 N/A SER 135.A OG ASP 39.A OD1 no hydrogen 2.894 N/A ILE 136.A N THR 102.A OG1 no hydrogen 3.165 N/A ASN 141.A N PRO 137.A O no hydrogen 3.211 N/A MET 142.A N VAL 138.A O no hydrogen 3.104 N/A MET 143.A N PHE 139.A O no hydrogen 3.027 N/A ASN 144.A N ASP 140.A O no hydrogen 2.841 N/A ARG 145.A N ASN 141.A O no hydrogen 3.145 N/A ARG 145.A NH1 ILE 99.A O no hydrogen 3.159 N/A ARG 145.A NH2 ILE 99.A O no hydrogen 2.543 N/A HIS 146.A N MET 143.A O no hydrogen 3.117 N/A LEU 147.A N MET 142.A O no hydrogen 2.568 N/A ALA 149.A N GLU 2.A O no hydrogen 2.598 N/A GLN 150.A NE2 GLY 169.A O no hydrogen 3.527 N/A PHE 153.A N PHE 307.A O no hydrogen 3.116 N/A SER 154.A N THR 167.A O no hydrogen 2.706 N/A SER 154.A OG ALA 170.A O no hydrogen 2.602 N/A VAL 155.A N SER 305.A O no hydrogen 3.087 N/A TYR 156.A N MET 165.A O no hydrogen 3.037 N/A TYR 156.A OH ILE 320.A O no hydrogen 3.149 N/A ARG 159.A NH2 GLU 302.A OE1 no hydrogen 3.220 N/A ARG 159.A NH2 GLU 302.A OE2 no hydrogen 3.371 N/A ASN 160.A N ASP 158.A OD2 no hydrogen 3.122 N/A GLY 161.A N ASP 158.A O no hydrogen 3.375 N/A GLN 162.A N ASP 158.A OD1 no hydrogen 3.318 N/A GLU 163.A N ASP 158.A OD1 no hydrogen 3.307 N/A MET 165.A N TYR 156.A O no hydrogen 3.077 N/A LEU 166.A N VAL 6.A O no hydrogen 2.928 N/A THR 167.A N SER 154.A O no hydrogen 2.921 N/A LEU 168.A N ALA 4.A O no hydrogen 3.002 N/A GLY 169.A N LEU 152.A O no hydrogen 2.725 N/A ASP 172.A N TYR 304.A OH no hydrogen 2.913 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 3.392 N/A TYR 175.A N ASP 172.A O no hydrogen 3.320 N/A TYR 176.A N PRO 173.A O no hydrogen 3.406 N/A THR 177.A N LYS 318.A O no hydrogen 3.033 N/A HIS 181.A N LEU 316.A O no hydrogen 2.777 N/A HIS 181.A ND1 LEU 316.A O no hydrogen 3.070 N/A VAL 183.A N VAL 314.A O no hydrogen 2.448 N/A VAL 185.A N ASN 312.A O no hydrogen 3.500 N/A THR 186.A N GLN 192.A O no hydrogen 2.945 N/A THR 186.A OG1 GLN 212.A OE1 no hydrogen 2.439 N/A GLN 189.A N VAL 187.A O no hydrogen 3.330 N/A GLN 189.A N TYR 190.A O no hydrogen 3.377 N/A TRP 191.A NE1 MET 125.A O no hydrogen 2.974 N/A GLN 192.A NE2 GLN 212.A OE1 no hydrogen 3.122 N/A PHE 193.A N ALA 213.A O no hydrogen 2.977 N/A VAL 195.A N CYS 211.A O no hydrogen 2.668 N/A ASP 196.A N GLU 262.A O no hydrogen 2.781 N/A SER 197.A OG GLU 262.A OE2 no hydrogen 3.405 N/A VAL 198.A N ALA 206.A O no hydrogen 3.179 N/A THR 199.A N VAL 260.A O no hydrogen 3.141 N/A THR 199.A OG1 VAL 260.A O no hydrogen 3.544 N/A ILE 200.A N VAL 203.A O no hydrogen 2.893 N/A VAL 203.A N ILE 200.A O no hydrogen 3.012 N/A VAL 205.A N VAL 198.A O no hydrogen 2.915 N/A ALA 206.A N VAL 198.A O no hydrogen 3.406 N/A CYS 207.A N ASP 228.A OD1 no hydrogen 3.498 N/A CYS 207.A SG VAL 195.A O no hydrogen 3.589 N/A GLY 210.A N CYS 207.A O no hydrogen 3.171 N/A CYS 211.A N VAL 195.A O no hydrogen 3.066 N/A GLN 212.A NE2 THR 194.A OG1 no hydrogen 2.852 N/A ALA 213.A N PHE 193.A O no hydrogen 3.132 N/A ILE 214.A N TRP 293.A O no hydrogen 2.882 N/A LEU 215.A N TRP 191.A O no hydrogen 2.867 N/A ASP 216.A N LEU 295.A O no hydrogen 3.005 N/A THR 217.A N THR 35.A OG1 no hydrogen 3.002 N/A THR 217.A OG1 PHE 33.A O no hydrogen 2.796 N/A GLY 218.A N ASP 216.A OD1 no hydrogen 2.659 N/A THR 219.A N ASP 216.A O no hydrogen 3.071 N/A THR 219.A OG1 ASP 216.A OD2 no hydrogen 3.398 N/A LYS 221.A NZ GLN 288.A OE1 no hydrogen 2.970 N/A LEU 222.A N GLY 286.A O no hydrogen 2.944 N/A VAL 223.A N ILE 294.A O no hydrogen 2.749 N/A GLY 224.A N GLN 288.A O no hydrogen 2.951 N/A ILE 229.A N PRO 225.A O no hydrogen 2.677 N/A LEU 230.A N SER 226.A O no hydrogen 2.811 N/A ASN 231.A N SER 227.A O no hydrogen 3.403 N/A ILE 232.A N ASP 228.A O no hydrogen 3.085 N/A GLN 233.A N ILE 229.A O no hydrogen 3.129 N/A GLN 233.A NE2 PHE 287.A O no hydrogen 3.433 N/A GLN 234.A N LEU 230.A O no hydrogen 2.894 N/A ALA 235.A N ASN 231.A O no hydrogen 3.058 N/A ILE 236.A N ILE 232.A O no hydrogen 2.944 N/A ILE 236.A N GLN 233.A O no hydrogen 3.299 N/A GLY 237.A N GLN 234.A O no hydrogen 3.302 N/A ALA 238.A N GLN 233.A O no hydrogen 2.808 N/A THR 239.A N ASP 247.A O no hydrogen 3.081 N/A ASN 241.A N GLU 245.A O no hydrogen 2.437 N/A GLN 242.A N ASN 241.A OD1 no hydrogen 2.506 N/A GLY 244.A N ASN 241.A O no hydrogen 2.645 N/A ASP 247.A N THR 239.A O no hydrogen 2.862 N/A ILE 248.A N CYS 283.A O no hydrogen 3.269 N/A ASP 251.A N ASP 249.A OD2 no hydrogen 3.498 N/A SER 254.A OG ASP 251.A O no hydrogen 3.506 N/A TYR 255.A N ASN 252.A O no hydrogen 3.232 N/A VAL 259.A N LEU 270.A O no hydrogen 2.852 N/A VAL 260.A N THR 199.A O no hydrogen 2.901 N/A PHE 261.A N TYR 268.A O no hydrogen 2.784 N/A GLU 262.A N SER 197.A O no hydrogen 2.972 N/A ILE 263.A N LYS 266.A O no hydrogen 2.643 N/A GLY 265.A N ASP 196.A OD1 no hydrogen 2.996 N/A LYS 266.A N ILE 263.A O no hydrogen 3.075 N/A TYR 268.A N PHE 261.A O no hydrogen 2.408 N/A TYR 268.A OH HIS 181.A ND1 no hydrogen 3.217 N/A LEU 270.A N VAL 259.A O no hydrogen 2.689 N/A THR 271.A OG1 SER 273.A OG no hydrogen 3.265 N/A SER 273.A OG THR 271.A OG1 no hydrogen 3.265 N/A TYR 275.A N THR 271.A O no hydrogen 3.027 N/A TYR 275.A OH PRO 257.A O no hydrogen 2.499 N/A THR 276.A OG1 PRO 272.A O no hydrogen 2.411 N/A SER 277.A N THR 284.A O no hydrogen 3.018 N/A SER 277.A OG ASP 279.A OD2 no hydrogen 3.376 N/A ASP 279.A N PHE 282.A O no hydrogen 2.592 N/A PHE 282.A N ASP 279.A O no hydrogen 2.795 N/A CYS 283.A SG GLN 278.A OE1 no hydrogen 3.823 N/A THR 284.A N SER 277.A O no hydrogen 2.535 N/A THR 284.A OG1 SER 277.A O no hydrogen 3.397 N/A THR 284.A OG1 ASP 279.A OD2 no hydrogen 3.321 N/A SER 285.A N PHE 246.A O no hydrogen 2.952 N/A SER 285.A OG GLN 233.A OE1 no hydrogen 2.793 N/A GLN 288.A N LEU 222.A O no hydrogen 2.694 N/A SER 289.A OG SER 226.A O no hydrogen 3.461 N/A GLU 290.A N GLY 224.A O no hydrogen 3.015 N/A LYS 292.A NZ GLN 192.A OE1 no hydrogen 3.045 N/A TRP 293.A N GLN 212.A O no hydrogen 2.959 N/A ILE 294.A N VAL 223.A O no hydrogen 2.998 N/A LEU 295.A N ILE 214.A O no hydrogen 3.126 N/A GLY 296.A N LYS 221.A O no hydrogen 3.040 N/A ASP 297.A N THR 219.A O no hydrogen 2.583 N/A VAL 298.A N SER 220.A O no hydrogen 3.206 N/A PHE 299.A N GLY 296.A O no hydrogen 3.048 N/A ILE 300.A N GLY 296.A O no hydrogen 3.302 N/A ARG 301.A N ASP 297.A O no hydrogen 2.798 N/A ARG 301.A NE TYR 16.A OH no hydrogen 2.598 N/A GLU 302.A N PHE 299.A O no hydrogen 3.010 N/A TYR 303.A N ILE 300.A O no hydrogen 3.115 N/A TYR 303.A OH PRO 269.A O no hydrogen 2.987 N/A SER 305.A N VAL 155.A O no hydrogen 3.314 N/A SER 305.A OG TYR 303.A O no hydrogen 2.777 N/A VAL 306.A N GLY 315.A O no hydrogen 2.840 N/A PHE 307.A N PHE 153.A O no hydrogen 2.789 N/A ASP 308.A N LEU 313.A O no hydrogen 2.894 N/A ARG 309.A N ASP 151.A O no hydrogen 2.945 N/A ARG 309.A NH1 ASP 140.A OD1 no hydrogen 3.487 N/A ARG 309.A NH2 ASP 140.A OD2 no hydrogen 3.148 N/A ALA 310.A N ASP 151.A O no hydrogen 3.402 N/A ASN 311.A N ASP 308.A OD1 no hydrogen 2.877 N/A ASN 311.A ND2 ASP 308.A OD2 no hydrogen 2.878 N/A LEU 313.A N ASP 308.A O no hydrogen 2.896 N/A VAL 314.A N VAL 183.A O no hydrogen 2.669 N/A GLY 315.A N VAL 306.A O no hydrogen 3.074 N/A LEU 316.A N HIS 181.A O no hydrogen 2.955 N/A ALA 317.A N TYR 304.A O no hydrogen 3.206 N/A LYS 318.A NZ ALA 319.A O no hydrogen 3.084 N/A ALA 319.A N GLU 302.A O no hydrogen 2.767 N/A ILE 320.A N TYR 175.A O no hydrogen 3.036 N/A