Rotamerically Induced PerturbationsLarge perturbations
Response to RIP in trypsin
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: 5PTP
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]
VAL-2 [17]
TYR-5 [20]
THR-6 [21]
CYS-7 [22]
ASN-10 [25]
THR-11 [26]
VAL-12 [27]
TYR-14 [29]
GLN-15 [30]
VAL-16 [31]
SER-17 [32]
LEU-18 [33]
ASN-19 [34]
SER-20 [37]
TYR-22 [39]
HIS-23 [40]
PHE-24 [41]
CYS-25 [42]
SER-28 [45]
LEU-29 [46]
ILE-30 [47]
ASN-31 [48]
SER-32 [49]
GLN-33 [50]
TRP-34 [51]
VAL-35 [52]
VAL-36 [53]
SER-37 [54]
HIS-40 [57]
CYS-41 [58]
TYR-42 [59]
LYS-43 [60]
SER-44 [61]
ILE-46 [63]
GLN-47 [64]
VAL-48 [65]
ARG-49 [65]
LEU-50 [66]
GLU-52 [70]
ASP-53 [71]
ASN-54 [72]
ILE-55 [73]
ASN-56 [74]
VAL-57 [75]
VAL-58 [76]
GLU-59 [77]
ASN-61 [79]
GLU-62 [80]
GLN-63 [81]
PHE-64 [82]
ILE-65 [83]
SER-66 [84]
SER-68 [86]
LYS-69 [87]
SER-70 [88]
ILE-71 [89]
VAL-72 [90]
HIS-73 [91]
SER-75 [93]
TYR-76 [94]
ASN-77 [95]
SER-78 [96]
ASN-79 [97]
THR-80 [98]
LEU-81 [99]
ASN-82 [100]
ASN-83 [101]
ASP-84 [102]
ILE-85 [103]
MET-86 [104]
LEU-87 [105]
ILE-88 [106]
LYS-89 [107]
LEU-90 [108]
LYS-91 [109]
SER-92 [110]
SER-95 [113]
LEU-96 [114]
ASN-97 [115]
SER-98 [116]
ARG-99 [117]
VAL-100 [118]
SER-102 [120]
ILE-103 [121]
SER-104 [122]
LEU-105 [123]
THR-107 [125]
SER-108 [127]
CYS-109 [128]
SER-111 [130]
THR-114 [134]
GLN-115 [135]
CYS-116 [136]
LEU-117 [137]
ILE-118 [138]
SER-119 [139]
TRP-121 [141]
ASN-123 [143]
THR-124 [144]
LYS-125 [145]
SER-126 [146]
SER-127 [147]
THR-129 [149]
SER-130 [150]
TYR-131 [151]
ASP-133 [153]
VAL-134 [154]
LEU-135 [155]
LYS-136 [156]
CYS-137 [157]
LEU-138 [158]
LYS-139 [159]
ILE-142 [162]
LEU-143 [163]
SER-144 [164]
ASP-145 [165]
SER-146 [166]
SER-147 [167]
CYS-148 [168]
LYS-149 [169]
SER-150 [170]
TYR-152 [172]
GLN-155 [175]
ILE-156 [176]
THR-157 [177]
SER-158 [178]
ASN-159 [179]
MET-160 [180]
PHE-161 [181]
CYS-162 [182]
TYR-165 [184]
LEU-166 [185]
GLU-167 [186]
LYS-170 [188]
ASP-171 [189]
SER-172 [190]
CYS-173 [191]
GLN-174 [192]
ASP-176 [194]
SER-177 [195]
VAL-181 [199]
VAL-182 [200]
CYS-183 [201]
SER-184 [202]
LYS-186 [204]
LEU-187 [209]
GLN-188 [210]
ILE-190 [212]
VAL-191 [213]
SER-192 [214]
TRP-193 [215]
SER-195 [217]
CYS-197 [220]
GLN-199 [221]
LYS-200 [222]
ASN-201 [223]
LYS-202 [224]
VAL-205 [227]
TYR-206 [228]
THR-207 [229]
LYS-208 [230]
VAL-209 [231]
CYS-210 [232]
ASN-211 [233]
TYR-212 [234]
VAL-213 [235]
SER-214 [236]
TRP-215 [237]
ILE-216 [238]
LYS-217 [239]
GLN-218 [240]
THR-219 [241]
ILE-220 [242]
SER-222 [244]
ASN-223 [245]