Rotamerically Induced PerturbationsLarge perturbations
Response to RIP in sgpb
deviations averaged over the 10th ps of simulation
background temperature = 300k
rotational temperature = 300k
significant response defined by Cα-RMSD deviation > 6 Å
PDB accession code: 4SGB
column = Cα-RMSD response to a RIP simulation
susceptibility of response to RIP of neighbors
no. of responding residues for each RIP
averaged Cα-RMSD fluctuations above background


Last snapshot of trajectory where Cα-RMSD is indicated by redness and thickness of chain.
ILE-1 [16]
SER-2 [17]
ASP-5 [31]
ILE-7 [33]
TYR-8 [34]
SER-9 [35]
SER-10 [38]
THR-11 [39]
ARG-13 [41]
CYS-14 [42]
SER-15 [43]
LEU-16 [44]
PHE-18 [45]
ASN-19 [46]
VAL-20 [47]
ARG-21 [48]
SER-22 [48]
SER-24 [48]
THR-25 [49]
TYR-26 [50]
TYR-27 [51]
PHE-28 [52]
LEU-29 [53]
THR-30 [54]
HIS-33 [57]
CYS-34 [58]
THR-35 [59]
ASP-36 [59]
THR-39 [61]
THR-40 [62]
TRP-41 [64]
TRP-42 [65]
ASN-44 [67]
SER-45 [68]
ARG-47 [80]
THR-48 [81]
THR-49 [82]
VAL-50 [83]
LEU-51 [84]
THR-53 [87]
THR-54 [88]
SER-55 [88]
SER-57 [90]
SER-58 [91]
PHE-59 [94]
ASN-61 [100]
ASN-62 [101]
ASP-63 [102]
TYR-64 [103]
ILE-66 [105]
VAL-67 [106]
ARG-68 [107]
TYR-69 [108]
THR-70 [109]
ASN-71 [110]
THR-72 [111]
THR-73 [112]
ILE-74 [113]
LYS-76 [114]
ASP-77 [119]
THR-79 [120]
VAL-80 [120]
GLN-83 [120]
ASP-84 [120]
ILE-85 [121]
THR-86 [122]
SER-87 [123]
ASN-90 [129]
THR-92 [131]
VAL-93 [132]
MET-95 [134]
VAL-97 [136]
THR-98 [137]
ARG-99 [138]
ARG-100 [139]
SER-102 [141]
THR-103 [142]
THR-104 [143]
THR-106 [157]
HIS-107 [158]
SER-108 [159]
SER-110 [161]
VAL-111 [162]
THR-112 [163]
LEU-114 [165]
ASN-115 [166]
THR-117 [168]
VAL-118 [169]
ASN-119 [170]
TYR-120 [171]
ASP-124 [175]
VAL-125 [176]
VAL-126 [177]
TYR-127 [178]
MET-129 [180]
ILE-130 [181]
ARG-131 [182]
THR-132 [183]
ASN-133 [184]
VAL-134 [185]
CYS-135 [189]
GLU-137 [191]
ASP-140 [194]
SER-141 [195]
LEU-145 [199]
TYR-146 [200]
SER-147 [201]
THR-149 [207]
ARG-150 [208]
ILE-152 [210]
LEU-154 [212]
THR-155 [213]
SER-156 [214]
SER-159 [217]
ASN-161 [220]
CYS-162 [220]
SER-163 [221]
SER-164 [222]
THR-167 [225]
THR-168 [226]
PHE-169 [227]
PHE-170 [228]
GLN-171 [229]
VAL-173 [231]
THR-174 [232]
GLU-175 [233]
LEU-177 [235]
VAL-178 [236]
TYR-180 [238]
VAL-182 [240]
SER-183 [241]
VAL-184 [242]
TYR-185 [243]