Rotamerically Induced PerturbationsLarge perturbations
Response to RIP in hsp90
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: 2IOR
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.
HIS-1 [0]
MET-2 [1]
LYS-3 [2]
GLN-5 [4]
GLU-6 [5]
THR-7 [6]
ARG-8 [7]
PHE-10 [9]
GLN-11 [10]
SER-12 [11]
GLU-13 [12]
VAL-14 [13]
LYS-15 [14]
GLN-16 [15]
LEU-17 [16]
LEU-18 [17]
HIS-19 [18]
LEU-20 [19]
MET-21 [20]
ILE-22 [21]
HIS-23 [22]
SER-24 [23]
LEU-25 [24]
TYR-26 [25]
SER-27 [26]
ASN-28 [27]
LYS-29 [28]
GLU-30 [29]
ILE-31 [30]
PHE-32 [31]
LEU-33 [32]
ARG-34 [33]
GLU-35 [34]
LEU-36 [35]
ILE-37 [36]
SER-38 [37]
ASN-39 [38]
SER-41 [40]
ASP-42 [41]
ASP-45 [44]
LYS-46 [45]
LEU-47 [46]
ARG-48 [47]
PHE-49 [48]
ARG-50 [49]
LEU-52 [51]
SER-53 [52]
ASN-54 [53]
ASP-56 [55]
LEU-57 [56]
TYR-58 [57]
GLU-59 [58]
ASP-61 [60]
GLU-63 [62]
LEU-64 [63]
ARG-65 [64]
VAL-66 [65]
ARG-67 [66]
VAL-68 [67]
SER-69 [68]
PHE-70 [69]
ASP-71 [70]
LYS-72 [71]
ASP-73 [72]
LYS-74 [73]
ARG-75 [74]
THR-76 [75]
LEU-77 [76]
THR-78 [77]
ILE-79 [78]
SER-80 [79]
ASP-81 [80]
ASN-82 [81]
VAL-84 [83]
MET-86 [85]
THR-87 [86]
ARG-88 [87]
ASP-89 [88]
GLU-90 [89]
VAL-91 [90]
ILE-92 [91]
ASP-93 [92]
HIS-94 [93]
LEU-95 [94]
THR-97 [96]
ILE-98 [97]
LYS-100 [99]
SER-101 [100]
THR-103 [102]
LYS-104 [103]
SER-105 [104]
PHE-106 [105]
LEU-107 [106]
GLU-108 [107]
SER-109 [108]
LEU-110 [109]
SER-112 [111]
ASP-113 [112]
GLN-114 [113]
LYS-116 [115]
ASP-117 [116]
SER-118 [117]
GLN-119 [118]
LEU-120 [119]
ILE-121 [120]
GLN-123 [122]
PHE-124 [123]
VAL-126 [125]
PHE-128 [127]
TYR-129 [128]
SER-130 [129]
PHE-132 [131]
ILE-133 [132]
VAL-134 [133]
ASP-136 [135]
LYS-137 [136]
VAL-138 [137]
THR-139 [138]
VAL-140 [139]
ARG-141 [140]
THR-142 [141]
ARG-143 [142]
GLU-147 [146]
LYS-148 [147]
GLU-150 [149]
ASN-151 [150]
VAL-153 [152]
PHE-154 [153]
TRP-155 [154]
GLU-156 [155]
SER-157 [156]
GLU-160 [159]
GLU-162 [161]
TYR-163 [162]
THR-164 [163]
VAL-165 [164]
ASP-167 [166]
ILE-168 [167]
THR-169 [168]
LYS-170 [169]
GLU-171 [170]
ASP-172 [171]
ARG-173 [172]
THR-175 [174]
GLU-176 [175]
ILE-177 [176]
THR-178 [177]
LEU-179 [178]
HIS-180 [179]
LEU-181 [180]
ARG-182 [181]
GLU-183 [182]
GLU-185 [184]
ASP-186 [185]
GLU-187 [186]
PHE-188 [187]
LEU-189 [188]
ASP-190 [189]
ASP-191 [190]
TRP-192 [191]
ARG-193 [192]
VAL-194 [193]
ARG-195 [194]
SER-196 [195]
ILE-197 [196]
ILE-198 [197]
SER-199 [198]
LYS-200 [199]
TYR-201 [200]
SER-202 [201]
ASP-203 [202]
HIS-204 [203]
ILE-205 [204]
LEU-207 [206]
VAL-209 [208]
GLU-210 [209]
ILE-211 [210]
GLU-212 [211]