A0A087YCE0_POEFO Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone. Involved in the interferon/all-trans-retinoic acid (IFN/RA) induced cell death. This apoptotic activity is inhibited by interaction with viral IRF1. Prevents the transactivation of STAT3 target genes. May play a role in CARD15-mediated innate mucosal responses and serve to regulate intestinal epithelial cell responses to microbes. Complex I functions in the transfer of electrons from NADH to the respiratory chain. Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis.

AlphaFold DB , UniProt , Accession A0A087YCE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 171 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low35.8Very low245 Ų245139.3 Ų139.3100%1.20782%0.815SS**  0156.30-92.3149.559.400109.1
2W28.4Very low35.9Very low247 Ų247141.6 Ų141.694%0.93682%0.819SS**  trans-82.8152.8-163.7-78.422.8000115.2
3S30.7Very low35.8Very low116 Ų116143.2 Ų143.281%0.81181%0.81SS**  trans61.8150.9143.2-128.90000118.4
4A38.4Very low36.3Very low85 Ų85147 Ų14770%0.70282%0.818SS**  cis-146.7-178.44.900000108.5
5S34.9Very low36.7Very low115 Ų115147.5 Ų147.580%0.80481%0.811SS**  cis-154.2173.33.2-158.40000110.8
6T44Very low36.8Very low126 Ų126147.9 Ų147.977%0.77381%0.812SS**  trans-100.6139.1171-54.20000110.8
7V44.8Very low37.1Very low135 Ų135145.5 Ų145.582%0.81881%0.808SS**  trans-140.299.2156-176.70000105.9
8C32.2Very low37.4Very low100 Ų100143.7 Ų143.768%0.67680%0.804SS**  60.788.386.9-147.20000110.8
9S39Very low37.8Very low101 Ų101143.5 Ų143.571%0.70681%0.806SS**  59.8107.787-168.40000113.1
10L33.5Very low38.2Very low156 Ų156147.2 Ų147.282%0.81781%0.809SS**  trans-178.7135.2131.2-97156000111.1
11C32.6Very low38.3Very low106 Ų106148.8 Ų148.872%0.71681%0.811SS**  trans19136.9151.2-57.90000120.7
12I36.5Very low38.7Very low167 Ų167141.3 Ų141.386%0.85680%0.796SS**  -159.7155.789.3-91.6152.9000109
13K35.1Very low39Very low163 Ų163133.3 Ų133.371%0.70979%0.791SS**  trans-64148.5-171.3-63.9165.3180171.40112.7E15K13-E15 HydrophobicContact CB-CG 4.12Å; K13-E15 PolarHBondContact O-N 2.98Å
14E42.5Very low39.6Very low196 Ų196131.3 Ų131.392%0.91679%0.788SS**  trans-68108153.3-162.4158.2-149.700106.7
15E41.3Very low39.6Very low154 Ų154135.9 Ų135.972%0.7280%0.8SS**  trans-107.2113.7175.4-79.5-175170.800109.1K13 S17K13-E15 HydrophobicContact CB-CG 4.12Å; K13-E15 PolarHBondContact O-N 2.98Å; E15-S17 PolarHBondContact O-N 2.64Å
16D39.4Very low39.8Very low155 Ų155133.7 Ų133.783%0.82980%0.795SS**PPolyproline II helixtrans-60.1117.7175.5-67.4-56.6000110.7P18D16-P18 WeakPolarHBondContact O-CD 3.44Å
17S41.3Very low40Very low107 Ų107138 Ų13875%0.74880%0.803SS**PPolyproline II helixtrans-69.6120.9170.560.30000109.6E15 V19E15-S17 PolarHBondContact O-N 2.64Å; S17-V19 PolarHBondContact O-N 2.71Å
18P43.3Very low40Very low113 Ų113140.5 Ų140.573%0.73481%0.808SS**PPolyproline II helixtrans-67.7129-177.526.3-33.7000111.2D16 Y20D16-P18 WeakPolarHBondContact O-CD 3.44Å; P18-Y20 PolarHBondContact O-N 2.69Å; P18-Y20 VanDerWaalsContact O-N 3.17Å
19V45.1Very low40.9Very low139 Ų139140.9 Ų140.984%0.84282%0.818SS**  trans-61.8113.5166.7176.40000108.1S17S17-V19 PolarHBondContact O-N 2.71Å
20Y45.2Very low41.4Very low217 Ų217139.2 Ų139.285%0.85182%0.817SS**  trans-91119.1169.258.8-89.9000109.6P18P18-Y20 PolarHBondContact O-N 2.69Å; P18-Y20 VanDerWaalsContact O-N 3.17Å
21E40.4Very low42.3Very low182 Ų182137 Ų13785%0.8582%0.815SS**  trans-65.2151.4176.1-66.4-174129.500111.5G23E21-G23 PolarHBondContact O-N 2.72Å
22G44.5Very low43.5Very low88 Ų88141.8 Ų141.891%0.90782%0.823SS**  trans-71.1115.1-17200000113.9
23G33.4Very low44.9Very low79 Ų79139.6 Ų139.681%0.81482%0.818SS**  trans-108.5115.1161.400000110.5E21E21-G23 PolarHBondContact O-N 2.72Å
24G44.1Very low46.5Very low73 Ų73141 Ų14175%0.75382%0.824SS**  trans-88.1141.1-179.500000113.3
25L39.4Very low48.2Very low182 Ų182138.8 Ų138.895%0.95381%0.814SS**  trans-156.6142161.8-142.181.6000113
26G38.6Very low50Low69 Ų69139 Ų13971%0.71182%0.819SS**  trans68.395.6147.600000119.7M28G26-M28 PolarHBondContact O-N 2.69Å
27K48.3Very low51.9Low216 Ų216138.9 Ų138.994%0.93982%0.816SS**  trans-73.7102.8159.3-73.8-171.5178.5-178.90110.8
28M44.2Very low53.7Low188 Ų188137.6 Ų137.693%0.92681%0.805SS**  trans-85.6117160.2-78.3-70.3-139.100109.5G26 G30G26-M28 PolarHBondContact O-N 2.69Å; M28-G30 PolarHBondContact O-N 3.26Å; M28-G30 VanDerWaalsContact O-N 3.07Å
29A50.9Low55.6Low107 Ų107135.5 Ų135.588%0.88479%0.791SS**  trans-79.488.7177.700000110.6
30G49.8Very low57.1Low66 Ų66135.7 Ų135.768%0.6880%0.795SS**  trans-58.1144.1172.500000112M28 K32M28-G30 PolarHBondContact O-N 3.26Å; M28-G30 VanDerWaalsContact O-N 3.07Å; G30-K32 PolarHBondContact O-N 3.28Å
31S51.6Low59Low111 Ų111129.3 Ų129.378%0.77680%0.796SS**  trans-56129174.847.90000110V33S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.38Å
32K58.4Low61.1Low205 Ų205122.7 Ų122.789%0.89178%0.776SS**  trans-77.875.8-171.2-163.2176-173.6178.10111G30 K34G30-K32 PolarHBondContact O-N 3.28Å; K32-K34 PolarHBondContact O-N 3.49Å
33V65.3Low63Low121 Ų121127.7 Ų127.773%0.73377%0.769SS**  trans-57.4112.2166.5178.10000107.2S31 Q35S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.38Å; V33-Q35 PolarHBondContact O-N 3.48Å
34K69.4Low65.5Low192 Ų192129.3 Ų129.384%0.83577%0.768SS**  trans-77.880.5174.1-170179.4178.5-173.10107.8K32K32-K34 PolarHBondContact O-N 3.49Å
35Q78.4Confident67.5Low151 Ų151130.7 Ų130.771%0.70677%0.773SS**  trans-65.3136.7174.4-169.41699.700109.2V33 M37V33-Q35 PolarHBondContact O-N 3.48Å; Q35-M37 WeakPolarHBondContact O-CG 3.37Å; Q35-M37 PolarHBondContact O-N 3.34Å; Q35-M37 VanDerWaalsContact O-N 3.08Å
36D78.4Confident69.7Low158 Ų158130.2 Ų130.285%0.84576%0.763SS**  trans-73.2103.8175.1-72.1-40.1000109.4
37M79.8Confident71.9Confident152 Ų152133.3 Ų133.375%0.74976%0.763SS**PPolyproline II helixtrans-96.6146.6179.2-54.8145104.200108.7Q35Q35-M37 WeakPolarHBondContact O-CG 3.37Å; Q35-M37 PolarHBondContact O-N 3.34Å; Q35-M37 VanDerWaalsContact O-N 3.08Å
38P80.3Confident73.6Confident80 Ų80131.8 Ų131.852%0.51975%0.753SS.*PPolyproline II helixtrans-57145.3158.328.4-33.8000108.9Y43P38-Y43 HydrophobicContact CB-CE2 3.9Å
39P83.3Confident75.7Confident69 Ų69129.3 Ų129.345%0.44874%0.737SS.*PPolyproline II helixtrans-58.9148.3179.925.3-34.4000110.7G41 G42P39-G41 PolarHBondContact O-N 3.33Å; P39-G42 PolarHBondContact O-N 3.25Å
40P76.3Confident77.5Confident143 Ų143134.5 Ų134.593%0.92973%0.734SS**THydrogen-bonded Turntrans-64.597.7176.927-33.8000109.7
41G83.4Confident79.1Confident84 Ų84137.5 Ų137.587%0.86673%0.734SS**THydrogen-bonded Turntrans140.4-18.1-166.900000114P39P39-G41 PolarHBondContact O-N 3.33Å
42G85Confident80.7Confident42 Ų42137.8 Ų137.843%0.43373%0.726SS.*  trans78.6-178.9179.700000113.9P39P39-G42 PolarHBondContact O-N 3.25Å
43Y85.3Confident82Confident193 Ų193131.5 Ų131.576%0.75771%0.707SS**PPolyproline II helixtrans-85.8155.2173.1-64.9-71000110.9P38P38-Y43 HydrophobicContact CB-CE2 3.9Å
44S85.7Confident82.6Confident113 Ų113136.1 Ų136.179%0.7972%0.717SS**PPolyproline II helixtrans-60.9144.4176540000111.5F46S44-F46 PolarHBondContact O-N 3.06Å
45A85.9Confident83.1Confident103 Ų103137.4 Ų137.485%0.85172%0.716SS**PPolyproline II helixtrans-56.8130.2177.700000110.8
46F84.6Confident83.5Confident172 Ų172133.8 Ų133.875%0.75472%0.72SS**PPolyproline II helixtrans-101.6127179.1-179.2-96.5000110.3S44 Y48S44-F46 PolarHBondContact O-N 3.06Å; F46-Y48 VanDerWaalsContact C-N 3.31Å; F46-Y48 PolarHBondContact O-N 3.21Å
47D84.9Confident83.7Confident134 Ų134131.8 Ų131.872%0.71771%0.708SS**  trans-73.682.4178.1-79.7-33.9000111.4K49D47-K49 PolarHBondContact O-N 3.25Å
48Y85Confident84.2Confident183 Ų183128 Ų12872%0.71870%0.697SS**  trans-69.9-6.417571.3-84.4000113.9F46F46-Y48 VanDerWaalsContact C-N 3.31Å; F46-Y48 PolarHBondContact O-N 3.21Å
49K88.3Confident84.7Confident137 Ų137126.1 Ų126.160%0.59669%0.691SS**SBendtrans-92.2133.1-176.9-66.7-179.7-176172.90111.2D47 N51D47-K49 PolarHBondContact O-N 3.25Å; K49-N51 PolarHBondContact O-N 3.43Å
50R87.8Confident85.2Confident215 Ų215132.4 Ų132.481%0.81171%0.708SS**  trans-65105.4178-176.9174.7-175-170.91.4111.7L52R50-L52 HydrophobicContact CG-CD1 3.79Å; R50-L52 PolarHBondContact O-N 3.43Å
51N83.9Confident86Confident130 Ų130127.8 Ų127.870%0.69568%0.679SS**  trans-94.965.9-176.558.6-4.8000113K49 P53K49-N51 PolarHBondContact O-N 3.43Å; N51-P53 WeakPolarHBondContact O-CD 3.31Å
52L86.2Confident86.4Confident117 Ų117129.6 Ų129.661%0.61367%0.666SS**  trans-81.9112.3175.6-105.463.9000111.9R50R50-L52 HydrophobicContact CG-CD1 3.79Å; R50-L52 PolarHBondContact O-N 3.43Å
53P85.2Confident86.8Confident73 Ų73134.5 Ų134.547%0.47468%0.676SS.*  trans-71.9134.4172.629.9-33.6000110.1N51 R55N51-P53 WeakPolarHBondContact O-CD 3.31Å; P53-R55 VanDerWaalsContact C-N 3.27Å; P53-R55 HydrophobicContact CB-CG 4.22Å; P53-R55 HydrophobicContact CG-CG 4.12Å; P53-R55 VanDerWaalsContact CG-CZ 3.42Å; P53-R55 PolarHBondContact O-N 3.4Å
54K77.3Confident87.4Confident217 Ų217127.6 Ų127.694%0.94366%0.663SS**  trans-71.382.7172.1-66-177.7-179.5179.50109.5
55R81.1Confident87.9Confident220 Ų220126.6 Ų126.683%0.8365%0.648SS**  trans-89.2136.3176.1-67.9-179.6174.1126.5-1.2110.2P53P53-R55 VanDerWaalsContact C-N 3.27Å; P53-R55 HydrophobicContact CB-CG 4.22Å; P53-R55 HydrophobicContact CG-CG 4.12Å; P53-R55 VanDerWaalsContact CG-CZ 3.42Å; P53-R55 PolarHBondContact O-N 3.4Å
56G85.4Confident88.4Confident75 Ų75123.3 Ų123.377%0.77362%0.624SS**SBendtrans132.2167.1176.500000113
57L83.8Confident88.9Confident116 Ų116120.6 Ų120.661%0.60762%0.616SS**  trans-75.7151.9169.7-66.9172.9000109.9M62 I65L57-M62 HydrophobicContact CB-CG 4.06Å; L57-I65 HydrophobicContact CD1-CD1 3.94Å
58S90.1Very high89.5Confident73 Ų73115.8 Ų115.851%0.5160%0.598SS.*  trans-63.2147.7171.5178.90000110.5Y60 S61 M62S58-Y60 PolarHBondContact O-N 3.33Å; S58-S61 WeakPolarHBondContact CA-OG 3.17Å; S58-S61 WeakPolarHBondContact CB-OG 3.11Å; S58-S61 PolarHBondContact N-OG 3.34Å; S58-S61 PolarHBondContact O-N 3.09Å; S58-S61 PolarHBondContact O-OG 3.44Å; S58-M62 PolarHBondContact O-N 3.11Å
59G90.3Very high90.1Very high39 Ų39112.3 Ų112.340%0.40259%0.591SS.*Hα-helixtrans-54.1-41.1178.500000112.5S61 M62 F63G59-S61 PolarHBondContact O-N 2.87Å; G59-M62 WeakPolarHBondContact O-CB 3.42Å; G59-M62 PolarHBondContact O-N 3.12Å; G59-F63 WeakPolarHBondContact O-CD2 3.32Å; G59-F63 PolarHBondContact O-N 3.45Å
60Y93.6Very high90.5Very high202 Ų202111.3 Ų111.379%0.79259%0.59SS**Hα-helixtrans-61.9-39.5175-62.9-65.5000113.1S58 F63 G64S58-Y60 PolarHBondContact O-N 3.33Å; Y60-F63 PolarHBondContact O-N 3.18Å; Y60-G64 PolarHBondContact O-N 3.39Å
61S92.4Very high91Very high46 Ų46103.9 Ų103.932%0.32257%0.574SS.*Hα-helixtrans-68.9-32174.842.80000112.8S58 G59 G64 I65S58-S61 WeakPolarHBondContact CA-OG 3.17Å; S58-S61 WeakPolarHBondContact CB-OG 3.11Å; S58-S61 PolarHBondContact N-OG 3.34Å; S58-S61 PolarHBondContact O-N 3.09Å; S58-S61 PolarHBondContact O-OG 3.44Å; G59-S61 PolarHBondContact O-N 2.87Å; S61-G64 PolarHBondContact O-N 3.09Å; S61-I65 VanDerWaalsContact O-CG1 3.32Å; S61-I65 WeakPolarHBondContact O-CG1 3.32Å; S61-I65 PolarHBondContact O-N 2.86Å; S61-I65 VanDerWaalsContact O-N 3.07Å
62M92.5Very high91.6Very high121 Ų121103.2 Ų103.260%0.59657%0.569SS**Hα-helixtrans-66-44.2172.6-65.6178.964.100111.5L57 S58 G59 I65 G66L57-M62 HydrophobicContact CB-CG 4.06Å; S58-M62 PolarHBondContact O-N 3.11Å; G59-M62 WeakPolarHBondContact O-CB 3.42Å; G59-M62 PolarHBondContact O-N 3.12Å; M62-I65 PolarHBondContact O-N 3.09Å; M62-G66 PolarHBondContact O-N 3.23Å
63F94.6Very high92.2Very high146 Ų14699.1 Ų99.164%0.6456%0.555SS**Hα-helixtrans-63.7-40.8174.1-74-63.4000112.5G59 Y60 I65 G66 I67G59-F63 WeakPolarHBondContact O-CD2 3.32Å; G59-F63 PolarHBondContact O-N 3.45Å; Y60-F63 PolarHBondContact O-N 3.18Å; F63-I65 PolarHBondContact O-N 3.07Å; F63-G66 PolarHBondContact O-N 3.46Å; F63-I67 WeakPolarHBondContact O-CB 3.42Å; F63-I67 VanDerWaalsContact O-CG1 3.29Å; F63-I67 WeakPolarHBondContact O-CG1 3.45Å; F63-I67 PolarHBondContact O-N 3.27Å
64G96.1Very high92.8Very high47 Ų47102.3 Ų102.349%0.48556%0.559SS.*Hα-helixtrans-58.6-45.8175.800000112.8Y60 S61 G68Y60-G64 PolarHBondContact O-N 3.39Å; S61-G64 PolarHBondContact O-N 3.09Å; G64-G68 PolarHBondContact O-N 2.96Å
65I96.1Very high93.7Very high92 Ų92100.2 Ų100.247%0.47255%0.545SS..Hα-helixtrans-64.6-46175.5-66.9165.2000110.8L57 S61 M62 F63 I67 G68 I69L57-I65 HydrophobicContact CD1-CD1 3.94Å; S61-I65 VanDerWaalsContact O-CG1 3.32Å; S61-I65 WeakPolarHBondContact O-CG1 3.32Å; S61-I65 PolarHBondContact O-N 2.86Å; S61-I65 VanDerWaalsContact O-N 3.07Å; M62-I65 PolarHBondContact O-N 3.09Å; F63-I65 PolarHBondContact O-N 3.07Å; I65-I67 PolarHBondContact O-N 3.44Å; I65-G68 PolarHBondContact O-N 2.95Å; I65-I69 HydrophobicContact CG2-CD1 3.8Å; I65-I69 HydrophobicContact CG2-CG1 4.47Å; I65-I69 WeakPolarHBondContact O-CG1 3.15Å; I65-I69 PolarHBondContact O-N 2.96Å
66G96.4Very high94.5Very high34 Ų3497.9 Ų97.935%0.35154%0.536SS..Hα-helixtrans-59.4-47.9179.200000112.8M62 F63 I69 M70M62-G66 PolarHBondContact O-N 3.23Å; F63-G66 PolarHBondContact O-N 3.46Å; G66-I69 PolarHBondContact O-N 3.26Å; G66-M70 WeakPolarHBondContact O-CB 3.38Å; G66-M70 VanDerWaalsContact O-CG 3.25Å; G66-M70 WeakPolarHBondContact O-CG 3.32Å; G66-M70 PolarHBondContact O-N 3.41Å
67I97.1Very high95.1Very high116 Ų11698.5 Ų98.560%0.59552%0.521SS*.Hα-helixtrans-64.1-40.8177.1-66.9166.7000110.8F63 I65 M70 A71F63-I67 WeakPolarHBondContact O-CB 3.42Å; F63-I67 VanDerWaalsContact O-CG1 3.29Å; F63-I67 WeakPolarHBondContact O-CG1 3.45Å; F63-I67 PolarHBondContact O-N 3.27Å; I65-I67 PolarHBondContact O-N 3.44Å; I67-M70 PolarHBondContact O-N 2.97Å; I67-A71 WeakPolarHBondContact O-CB 3.38Å; I67-A71 PolarHBondContact O-N 3.49Å
68G97.1Very high95.7Very high32 Ų3299.3 Ų99.333%0.3352%0.52SS..Hα-helixtrans-59.9-47.8176.400000113G64 I65 A71 I72G64-G68 PolarHBondContact O-N 2.96Å; I65-G68 PolarHBondContact O-N 2.95Å; G68-A71 PolarHBondContact O-N 3.14Å; G68-I72 WeakPolarHBondContact O-CG1 3.18Å; G68-I72 PolarHBondContact O-N 3.44Å; G68-I72 VanDerWaalsContact O-N 3.15Å
69I97.2Very high96Very high111 Ų11198 Ų9857%0.56951%0.51SS*.Hα-helixtrans-62.4-44.2176.6-67.1169000110.7I65 G66 I72 G73I65-I69 HydrophobicContact CG2-CD1 3.8Å; I65-I69 HydrophobicContact CG2-CG1 4.47Å; I65-I69 WeakPolarHBondContact O-CG1 3.15Å; I65-I69 PolarHBondContact O-N 2.96Å; G66-I69 PolarHBondContact O-N 3.26Å; I69-I72 PolarHBondContact O-N 3.03Å; I69-G73 PolarHBondContact O-N 2.95Å
70M97Very high96.4Very high116 Ų116103.4 Ų103.457%0.57152%0.519SS*.Hα-helixtrans-64.7-43.2179.3-69.7-63.9161.100112.2G66 I67 I72 G73 Y74G66-M70 WeakPolarHBondContact O-CB 3.38Å; G66-M70 VanDerWaalsContact O-CG 3.25Å; G66-M70 WeakPolarHBondContact O-CG 3.32Å; G66-M70 PolarHBondContact O-N 3.41Å; I67-M70 PolarHBondContact O-N 2.97Å; M70-I72 PolarHBondContact O-N 2.94Å; M70-G73 PolarHBondContact O-N 3.5Å; M70-Y74 HydrophobicContact CB-CD2 4.41Å; M70-Y74 HydrophobicContact CB-CE2 4.25Å; M70-Y74 WeakPolarHBondContact O-CD2 3.44Å; M70-Y74 PolarHBondContact O-N 3.37Å
71A97.3Very high96.6Very high58 Ų5896.1 Ų96.148%0.47949%0.494SS..Hα-helixtrans-59.7-43.9177.100000112.2I67 G68 W75I67-A71 WeakPolarHBondContact O-CB 3.38Å; I67-A71 PolarHBondContact O-N 3.49Å; G68-A71 PolarHBondContact O-N 3.14Å; A71-W75 WeakPolarHBondContact O-CB 3.39Å; A71-W75 PolarHBondContact O-N 3.26Å
72I97.6Very high96.8Very high116 Ų116101.5 Ų101.560%0.59551%0.507SS*.Hα-helixtrans-65.4-43.6175.4-65.7167000110.7G68 I69 M70 W75 R76G68-I72 WeakPolarHBondContact O-CG1 3.18Å; G68-I72 PolarHBondContact O-N 3.44Å; G68-I72 VanDerWaalsContact O-N 3.15Å; I69-I72 PolarHBondContact O-N 3.03Å; M70-I72 PolarHBondContact O-N 2.94Å; I72-W75 PolarHBondContact O-N 3.15Å; I72-R76 WeakPolarHBondContact O-CB 3.3Å; I72-R76 PolarHBondContact O-N 3.4Å
73G97.8Very high97.1Very high31 Ų3199.1 Ų99.132%0.3250%0.495SS..Hα-helixtrans-58.7-49.7177.100000112.4I69 M70 R76 I77I69-G73 PolarHBondContact O-N 2.95Å; M70-G73 PolarHBondContact O-N 3.5Å; G73-R76 PolarHBondContact O-N 2.97Å; G73-I77 VanDerWaalsContact O-CG1 3.3Å; G73-I77 WeakPolarHBondContact O-CG1 3.44Å; G73-I77 PolarHBondContact O-N 3.26Å
74Y97.6Very high97.2Very high141 Ų14198.9 Ų98.955%0.55349%0.489SS*.Hα-helixtrans-60.5-47.1174.9-75.2-59.6000111.9M70 R76 I77 F78M70-Y74 HydrophobicContact CB-CD2 4.41Å; M70-Y74 HydrophobicContact CB-CE2 4.25Å; M70-Y74 WeakPolarHBondContact O-CD2 3.44Å; M70-Y74 PolarHBondContact O-N 3.37Å; Y74-R76 VanDerWaalsContact C-N 3.3Å; Y74-R76 PolarHBondContact O-N 3.36Å; Y74-I77 PolarHBondContact O-N 2.92Å; Y74-I77 VanDerWaalsContact O-N 3.17Å; Y74-F78 WeakPolarHBondContact O-CD2 3.27Å; Y74-F78 PolarHBondContact O-N 3.18Å
75W97.1Very high97.3Very high172 Ų172104 Ų10465%0.65249%0.494SS*.Hα-helixtrans-57.7-41.4177.517779.9000112.6A71 I72 S79A71-W75 WeakPolarHBondContact O-CB 3.39Å; A71-W75 PolarHBondContact O-N 3.26Å; I72-W75 PolarHBondContact O-N 3.15Å; W75-S79 WeakPolarHBondContact O-CB 3.28Å; W75-S79 PolarHBondContact O-N 2.76Å; W75-S79 PolarHBondContact O-OG 3.25Å
76R97.3Very high97.4Very high171 Ų171107.2 Ų107.265%0.64550%0.5SS*.Hα-helixtrans-65.8-44.1175.2-167.667.6175.71790.6111.8I72 G73 Y74 S79 W80I72-R76 WeakPolarHBondContact O-CB 3.3Å; I72-R76 PolarHBondContact O-N 3.4Å; G73-R76 PolarHBondContact O-N 2.97Å; Y74-R76 VanDerWaalsContact C-N 3.3Å; Y74-R76 PolarHBondContact O-N 3.36Å; R76-S79 PolarHBondContact O-N 2.84Å; R76-W80 WeakPolarHBondContact O-CB 3.46Å; R76-W80 PolarHBondContact O-N 2.9Å
77I97.8Very high97.5Very high89 Ų89110 Ų11046%0.45651%0.506SS..Hα-helixtrans-63.3-43.6176.8-70.8166.5000111.4G73 Y74 S79 W80 N81G73-I77 VanDerWaalsContact O-CG1 3.3Å; G73-I77 WeakPolarHBondContact O-CG1 3.44Å; G73-I77 PolarHBondContact O-N 3.26Å; Y74-I77 PolarHBondContact O-N 2.92Å; Y74-I77 VanDerWaalsContact O-N 3.17Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.42Å; I77-W80 PolarHBondContact O-N 3.26Å; I77-N81 WeakPolarHBondContact CG2-ND2 3.34Å; I77-N81 VanDerWaalsContact O-CB 3.27Å; I77-N81 WeakPolarHBondContact O-CB 3.49Å; I77-N81 PolarHBondContact O-N 3.38Å; I77-N81 PolarHBondContact O-ND2 3.22Å
78F97.2Very high97.6Very high132 Ų132109 Ų10958%0.57950%0.502SS*.Hα-helixtrans-61.3-40.8176-81.5-63.2000112Y74 R82Y74-F78 WeakPolarHBondContact O-CD2 3.27Å; Y74-F78 PolarHBondContact O-N 3.18Å; F78-R82 WeakPolarHBondContact O-CG 3.24Å; F78-R82 PolarHBondContact O-N 2.98Å
79S96.1Very high97.7Very high45 Ų45111.5 Ų111.532%0.31551%0.507SS..Hα-helixtrans-65.5-46.7176.3-55.70000111W75 R76 I77 N81 R82 E83W75-S79 WeakPolarHBondContact O-CB 3.28Å; W75-S79 PolarHBondContact O-N 2.76Å; W75-S79 PolarHBondContact O-OG 3.25Å; R76-S79 PolarHBondContact O-N 2.84Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.42Å; S79-N81 PolarHBondContact O-N 2.97Å; S79-R82 WeakPolarHBondContact O-CB 3.46Å; S79-R82 PolarHBondContact O-N 3.25Å; S79-R82 VanDerWaalsContact O-N 3.15Å; S79-E83 PolarHBondContact O-N 2.89Å
80W98Very high97.7Very high153 Ų153112.3 Ų112.358%0.5851%0.508SS*.Hα-helixtrans-64.1-37.9177-170.8-117.1000113.1R76 I77 R82 E83 R84R76-W80 WeakPolarHBondContact O-CB 3.46Å; R76-W80 PolarHBondContact O-N 2.9Å; I77-W80 PolarHBondContact O-N 3.26Å; W80-R82 PolarHBondContact O-N 3.24Å; W80-E83 HydrophobicContact CE3-CB 4.49Å; W80-E83 PolarHBondContact O-N 2.89Å; W80-E83 VanDerWaalsContact O-N 3.13Å; W80-R84 HydrophobicContact CD2-CG 4.5Å; W80-R84 HydrophobicContact CG-CG 4.5Å; W80-R84 WeakPolarHBondContact O-CG 3.45Å; W80-R84 PolarHBondContact O-N 3.42Å
81N98.1Very high97.8Very high50 Ų50112.2 Ų112.227%0.26751%0.506SS..Hα-helixtrans-71.5-16176-72.9-13.8000113.5I77 S79 R84 R85I77-N81 WeakPolarHBondContact CG2-ND2 3.34Å; I77-N81 VanDerWaalsContact O-CB 3.27Å; I77-N81 WeakPolarHBondContact O-CB 3.49Å; I77-N81 PolarHBondContact O-N 3.38Å; I77-N81 PolarHBondContact O-ND2 3.22Å; S79-N81 PolarHBondContact O-N 2.97Å; N81-R84 PolarHBondContact OD1-NE 2.98Å; N81-R84 PolarHBondContact OD1-NH2 3.49Å; N81-R85 WeakPolarHBondContact O-CG 3.32Å; N81-R85 PolarHBondContact O-NE 2.99Å
82R97.5Very high97.8Very high158 Ų158113.4 Ų113.460%0.59650%0.504SS*.Hα-helixtrans-77-43.3166-69.8166.4-177.3-167.4-0.6109.9F78 S79 W80 R85 R86F78-R82 WeakPolarHBondContact O-CG 3.24Å; F78-R82 PolarHBondContact O-N 2.98Å; S79-R82 WeakPolarHBondContact O-CB 3.46Å; S79-R82 PolarHBondContact O-N 3.25Å; S79-R82 VanDerWaalsContact O-N 3.15Å; W80-R82 PolarHBondContact O-N 3.24Å; R82-R85 PolarHBondContact O-N 3.42Å; R82-R86 PolarHBondContact O-N 2.84Å
83E97.6Very high97.9Very high72 Ų72113.8 Ų113.834%0.33650%0.504SS..Hα-helixtrans-66.7-46.6179.7-155.457.6-151.200113S79 W80 R85 R86 L87S79-E83 PolarHBondContact O-N 2.89Å; W80-E83 HydrophobicContact CE3-CB 4.49Å; W80-E83 PolarHBondContact O-N 2.89Å; W80-E83 VanDerWaalsContact O-N 3.13Å; E83-R85 PolarHBondContact O-N 3.32Å; E83-R85 VanDerWaalsContact O-N 3.12Å; E83-R86 WeakPolarHBondContact O-CB 3.26Å; E83-R86 PolarHBondContact O-N 3.02Å; E83-R86 WeakPolarHBondContact OE2-CD 3.49Å; E83-R86 IonicContact OE2-CZ 3.71Å; E83-R86 IonicContact OE2-NE 3.92Å; E83-R86 IonicContact OE2-NH1 2.71Å; E83-R86 PolarHBondContact OE2-NH1 2.62Å; E83-L87 PolarHBondContact O-N 2.89Å
84R98.2Very high97.9Very high141 Ų141114.9 Ų114.953%0.53251%0.51SS..Hα-helixtrans-56-31173.4-69.8-160-65.4162.3-0.7113.4W80 N81 L88W80-R84 HydrophobicContact CD2-CG 4.5Å; W80-R84 HydrophobicContact CG-CG 4.5Å; W80-R84 WeakPolarHBondContact O-CG 3.45Å; W80-R84 PolarHBondContact O-N 3.42Å; N81-R84 PolarHBondContact OD1-NE 2.98Å; N81-R84 PolarHBondContact OD1-NH2 3.49Å; R84-L88 VanDerWaalsContact O-CB 3.32Å; R84-L88 WeakPolarHBondContact O-CB 3.4Å; R84-L88 PolarHBondContact O-N 3.25Å; R84-L88 VanDerWaalsContact O-N 3.1Å
85R98.3Very high97.9Very high153 Ų153115 Ų11558%0.57751%0.509SS*.Hα-helixtrans-74.8-34175.1-80.2-176.6-69.9161.7-2.8112.7N81 R82 E83 I89N81-R85 WeakPolarHBondContact O-CG 3.32Å; N81-R85 PolarHBondContact O-NE 2.99Å; R82-R85 PolarHBondContact O-N 3.42Å; E83-R85 PolarHBondContact O-N 3.32Å; E83-R85 VanDerWaalsContact O-N 3.12Å; R85-I89 WeakPolarHBondContact O-CD1 3.48Å; R85-I89 WeakPolarHBondContact O-CG1 3.22Å; R85-I89 PolarHBondContact O-N 2.89Å
86R98.2Very high98Very high161 Ų161112.2 Ų112.261%0.60851%0.505SS*.Hα-helixtrans-64.3-48.8173.1-69.3166.8169.9176.4-12.1111R82 E83 L88 I89 E90R82-R86 PolarHBondContact O-N 2.84Å; E83-R86 WeakPolarHBondContact O-CB 3.26Å; E83-R86 PolarHBondContact O-N 3.02Å; E83-R86 WeakPolarHBondContact OE2-CD 3.49Å; E83-R86 IonicContact OE2-CZ 3.71Å; E83-R86 IonicContact OE2-NE 3.92Å; E83-R86 IonicContact OE2-NH1 2.71Å; E83-R86 PolarHBondContact OE2-NH1 2.62Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.4Å; R86-I89 WeakPolarHBondContact O-CB 3.46Å; R86-I89 PolarHBondContact O-N 3.14Å; R86-I89 VanDerWaalsContact O-N 3.09Å; R86-E90 PolarHBondContact O-N 2.91Å
87L98.3Very high98Very high91 Ų91107.7 Ų107.748%0.47651%0.505SS..Hα-helixtrans-59.7-40.2176.5-63.4172000112.2E83 E90 E91E83-L87 PolarHBondContact O-N 2.89Å; L87-E90 PolarHBondContact O-N 2.82Å; L87-E91 PolarHBondContact O-N 3.46Å
88L98.4Very high98Very high96 Ų96108.3 Ų108.350%0.50351%0.508SS..Hα-helixtrans-68.3-33.8175.4-178.4147000112.6R84 R86 L92R84-L88 VanDerWaalsContact O-CB 3.32Å; R84-L88 WeakPolarHBondContact O-CB 3.4Å; R84-L88 PolarHBondContact O-N 3.25Å; R84-L88 VanDerWaalsContact O-N 3.1Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.4Å; L88-L92 HydrophobicContact CD2-CD1 3.63Å; L88-L92 HydrophobicContact CD2-CG 4.3Å; L88-L92 WeakPolarHBondContact O-CB 3.31Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.16Å
89I98.6Very high98.1Very high85 Ų85107 Ų10744%0.43651%0.506SS..Hα-helixtrans-66.1-45.5172.9-71.8161.5000110R85 R86 E91 L92 E93R85-I89 WeakPolarHBondContact O-CD1 3.48Å; R85-I89 WeakPolarHBondContact O-CG1 3.22Å; R85-I89 PolarHBondContact O-N 2.89Å; R86-I89 WeakPolarHBondContact O-CB 3.46Å; R86-I89 PolarHBondContact O-N 3.14Å; R86-I89 VanDerWaalsContact O-N 3.09Å; I89-E91 PolarHBondContact O-N 3.17Å; I89-L92 PolarHBondContact O-N 3.05Å; I89-L92 VanDerWaalsContact O-N 3.16Å; I89-E93 HydrophobicContact CG2-CG 4.25Å; I89-E93 VanDerWaalsContact CG2-OE1 3.26Å; I89-E93 WeakPolarHBondContact CG2-OE1 3.48Å; I89-E93 WeakPolarHBondContact O-CB 3.34Å; I89-E93 WeakPolarHBondContact O-CG 3.4Å; I89-E93 PolarHBondContact O-N 3.39Å
90E98.5Very high98.2Very high127 Ų127109 Ų10959%0.59352%0.517SS*.Hα-helixtrans-58.5-44.1175.9-174.4-179.9179.500112.2R86 L87 L92 E93 A94R86-E90 PolarHBondContact O-N 2.91Å; L87-E90 PolarHBondContact O-N 2.82Å; E90-L92 PolarHBondContact O-N 3.41Å; E90-E93 PolarHBondContact O-N 3.48Å; E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 2.95Å
91E98.4Very high98.2Very high115 Ų115106.8 Ų106.854%0.53752%0.516SS..Hα-helixtrans-62.8-40.9174.7-165.6-162.1145.900112.2L87 I89 R95L87-E91 PolarHBondContact O-N 3.46Å; I89-E91 PolarHBondContact O-N 3.17Å; E91-R95 WeakPolarHBondContact O-CB 3.31Å; E91-R95 PolarHBondContact O-N 3.13Å; E91-R95 IonicContact OE1-NH2 3.36Å; E91-R95 PolarHBondContact OE1-NH2 2.82Å
92L98.4Very high98.2Very high82 Ų82109.4 Ų109.443%0.42953%0.529SS..Hα-helixtrans-68.9-40.4177.5-73.7177.3000112.2L88 I89 E90 R95 I96L88-L92 HydrophobicContact CD2-CD1 3.63Å; L88-L92 HydrophobicContact CD2-CG 4.3Å; L88-L92 WeakPolarHBondContact O-CB 3.31Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.16Å; I89-L92 PolarHBondContact O-N 3.05Å; I89-L92 VanDerWaalsContact O-N 3.16Å; E90-L92 PolarHBondContact O-N 3.41Å; L92-R95 PolarHBondContact O-N 3.16Å; L92-I96 WeakPolarHBondContact O-CB 3.44Å; L92-I96 WeakPolarHBondContact O-CD1 3.47Å; L92-I96 WeakPolarHBondContact O-CG1 3.48Å; L92-I96 PolarHBondContact O-N 3.13Å
93E98.5Very high98.2Very high125 Ų125106.3 Ų106.358%0.58452%0.522SS*.Hα-helixtrans-63-44.8175.3-74.6174.9-176.900111I89 E90 R95 I96 A97I89-E93 HydrophobicContact CG2-CG 4.25Å; I89-E93 VanDerWaalsContact CG2-OE1 3.26Å; I89-E93 WeakPolarHBondContact CG2-OE1 3.48Å; I89-E93 WeakPolarHBondContact O-CB 3.34Å; I89-E93 WeakPolarHBondContact O-CG 3.4Å; I89-E93 PolarHBondContact O-N 3.39Å; E90-E93 PolarHBondContact O-N 3.48Å; E93-R95 VanDerWaalsContact C-N 3.32Å; E93-R95 PolarHBondContact O-N 2.93Å; E93-I96 PolarHBondContact O-N 3.44Å; E93-A97 PolarHBondContact O-N 3.25Å
94A98.3Very high98.3Very high54 Ų54104.8 Ų104.845%0.44652%0.521SS..Hα-helixtrans-59.8-41172.700000112.1E90 A97 L98E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 2.95Å; A94-A97 PolarHBondContact O-N 2.95Å; A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.39Å
95R97.9Very high98.3Very high144 Ų144103.7 Ų103.754%0.54352%0.522SS..Hα-helixtrans-65.7-42.1175.1-174.9177.9-63-161.44.3112.4E91 L92 E93 A97 L98 M99E91-R95 WeakPolarHBondContact O-CB 3.31Å; E91-R95 PolarHBondContact O-N 3.13Å; E91-R95 IonicContact OE1-NH2 3.36Å; E91-R95 PolarHBondContact OE1-NH2 2.82Å; L92-R95 PolarHBondContact O-N 3.16Å; E93-R95 VanDerWaalsContact C-N 3.32Å; E93-R95 PolarHBondContact O-N 2.93Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 3.19Å; R95-L98 PolarHBondContact O-N 3.02Å; R95-M99 WeakPolarHBondContact O-CB 3.18Å; R95-M99 PolarHBondContact O-N 3.25Å
96I98.4Very high98.2Very high112 Ų112101.4 Ų101.457%0.57452%0.518SS*.Hα-helixtrans-62.6-40.7177.8-71.6161.9000110.4L92 E93 L98 M99 P100L92-I96 WeakPolarHBondContact O-CB 3.44Å; L92-I96 WeakPolarHBondContact O-CD1 3.47Å; L92-I96 WeakPolarHBondContact O-CG1 3.48Å; L92-I96 PolarHBondContact O-N 3.13Å; E93-I96 PolarHBondContact O-N 3.44Å; I96-L98 VanDerWaalsContact C-N 3.32Å; I96-L98 PolarHBondContact O-N 2.7Å; I96-M99 PolarHBondContact O-N 3.23Å; I96-P100 VanDerWaalsContact O-CD 3.32Å; I96-P100 WeakPolarHBondContact O-CD 3.45Å
97A98.3Very high98.2Very high76 Ų7696.9 Ų96.963%0.62851%0.506SS*.Hα-helixtrans-62.6-35.8176.200000113.2E93 A94 R95E93-A97 PolarHBondContact O-N 3.25Å; A94-A97 PolarHBondContact O-N 2.95Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 3.19Å
98L97.9Very high98.2Very high102 Ų102100.5 Ų100.553%0.53451%0.513SS..Hα-helixtrans-85.7-24.2179-65.8174.2000114A94 R95 I96 P100 L101 I102A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.39Å; R95-L98 PolarHBondContact O-N 3.02Å; I96-L98 VanDerWaalsContact C-N 3.32Å; I96-L98 PolarHBondContact O-N 2.7Å; L98-P100 VanDerWaalsContact C-CD 3.49Å; L98-L101 PolarHBondContact O-N 3.18Å; L98-I102 HydrophobicContact CB-CD1 4.22Å; L98-I102 PolarHBondContact O-N 2.75Å
99M98.1Very high98.2Very high106 Ų106102.4 Ų102.452%0.52251%0.513SS..Hα-helixtrans-48.2-48.4-177.9-173.5179.2-70.300115R95 I96 L101 I102 Q103R95-M99 WeakPolarHBondContact O-CB 3.18Å; R95-M99 PolarHBondContact O-N 3.25Å; I96-M99 PolarHBondContact O-N 3.23Å; M99-L101 VanDerWaalsContact C-N 3.31Å; M99-L101 PolarHBondContact O-N 3.04Å; M99-I102 PolarHBondContact O-N 2.98Å; M99-Q103 WeakPolarHBondContact O-CB 3.37Å; M99-Q103 PolarHBondContact O-N 2.98Å
100P98.3Very high98Very high86 Ų8699.1 Ų99.156%0.55850%0.497SS*.Hα-helixtrans-64.9-31.6-177.224.6-34.9000113.6I96 L98 A104I96-P100 VanDerWaalsContact O-CD 3.32Å; I96-P100 WeakPolarHBondContact O-CD 3.45Å; L98-P100 VanDerWaalsContact C-CD 3.49Å; P100-A104 WeakPolarHBondContact O-CB 3.39Å; P100-A104 PolarHBondContact O-N 3.39Å; P100-A104 VanDerWaalsContact O-N 3.09Å
101L98.3Very high97.9Very high106 Ų10697.8 Ų97.856%0.55549%0.494SS*.Hα-helixtrans-68.4-50.7175.6-178.870000110.5L98 M99 Q103 A104 E105L98-L101 PolarHBondContact O-N 3.18Å; M99-L101 VanDerWaalsContact C-N 3.31Å; M99-L101 PolarHBondContact O-N 3.04Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 3.09Å; L101-A104 PolarHBondContact O-N 3.38Å; L101-E105 PolarHBondContact O-N 2.95Å
102I98.3Very high97.9Very high105 Ų105100.5 Ų100.554%0.53850%0.499SS..Hα-helixtrans-61.4-39.8-179.6-62.4170.2000110.5L98 M99 E105 H106L98-I102 HydrophobicContact CB-CD1 4.22Å; L98-I102 PolarHBondContact O-N 2.75Å; M99-I102 PolarHBondContact O-N 2.98Å; I102-E105 PolarHBondContact O-N 2.97Å; I102-H106 VanDerWaalsContact O-CB 3.31Å; I102-H106 WeakPolarHBondContact O-CB 3.41Å; I102-H106 PolarHBondContact O-N 3.48Å
103Q97.9Very high97.8Very high94 Ų9497.4 Ų97.444%0.43948%0.482SS..Hα-helixtrans-61.9-49.9175.4-173.760.641.300111.3M99 L101 E105 H106 D107M99-Q103 WeakPolarHBondContact O-CB 3.37Å; M99-Q103 PolarHBondContact O-N 2.98Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 3.09Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 3.47Å; Q103-H106 WeakPolarHBondContact O-CB 3.2Å; Q103-H106 PolarHBondContact O-N 3.1Å; Q103-H106 VanDerWaalsContact O-N 3.12Å; Q103-D107 VanDerWaalsContact NE2-CG 3.3Å; Q103-D107 PolarHBondContact NE2-OD1 3.36Å; Q103-D107 PolarHBondContact NE2-OD2 2.88Å; Q103-D107 VanDerWaalsContact NE2-OD2 3.09Å; Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 2.88Å
104A98.4Very high97.7Very high39 Ų3993.1 Ų93.132%0.32246%0.463SS..Hα-helixtrans-62.5-35.3178.900000113.1P100 L101 R108P100-A104 WeakPolarHBondContact O-CB 3.39Å; P100-A104 PolarHBondContact O-N 3.39Å; P100-A104 VanDerWaalsContact O-N 3.09Å; L101-A104 PolarHBondContact O-N 3.38Å; A104-R108 WeakPolarHBondContact O-CB 3.46Å; A104-R108 WeakPolarHBondContact O-CD 3.48Å; A104-R108 WeakPolarHBondContact O-CG 3.47Å; A104-R108 PolarHBondContact O-N 3.15Å; A104-R108 VanDerWaalsContact O-N 3.11Å
105E98.5Very high97.6Very high118 Ų11897.5 Ų97.555%0.55147%0.468SS*.Hα-helixtrans-69.7-39.3172.7-71.8-172.4175.400112.6L101 I102 Q103 R109L101-E105 PolarHBondContact O-N 2.95Å; I102-E105 PolarHBondContact O-N 2.97Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 3.47Å; E105-R109 WeakPolarHBondContact O-CB 3.45Å; E105-R109 PolarHBondContact O-N 3.4Å
106H97.4Very high97.5Very high106 Ų10694.2 Ų94.249%0.49146%0.459SS..Hα-helixtrans-62.4-49.4175.5-172.885.7000111.3I102 Q103 R108 R109 T110I102-H106 VanDerWaalsContact O-CB 3.31Å; I102-H106 WeakPolarHBondContact O-CB 3.41Å; I102-H106 PolarHBondContact O-N 3.48Å; Q103-H106 WeakPolarHBondContact O-CB 3.2Å; Q103-H106 PolarHBondContact O-N 3.1Å; Q103-H106 VanDerWaalsContact O-N 3.12Å; H106-R108 PolarHBondContact O-N 3.43Å; H106-R109 WeakPolarHBondContact O-CA 3.4Å; H106-R109 WeakPolarHBondContact O-CB 3.26Å; H106-R109 PolarHBondContact O-N 3.31Å; H106-T110 PolarHBondContact O-N 3.14Å; H106-T110 PolarHBondContact O-OG1 3.22Å
107D98Very high97.4Very high66 Ų6689.6 Ų89.635%0.35344%0.436SS..Hα-helixtrans-63-41179.7-64.3-26.2000111.7Q103 R109 T110 L111Q103-D107 VanDerWaalsContact NE2-CG 3.3Å; Q103-D107 PolarHBondContact NE2-OD1 3.36Å; Q103-D107 PolarHBondContact NE2-OD2 2.88Å; Q103-D107 VanDerWaalsContact NE2-OD2 3.09Å; Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 2.88Å; D107-R109 VanDerWaalsContact C-N 3.28Å; D107-R109 PolarHBondContact O-N 2.94Å; D107-T110 PolarHBondContact O-OG1 3.36Å; D107-T110 VanDerWaalsContact O-OG1 3.07Å; D107-L111 WeakPolarHBondContact O-CB 3.39Å; D107-L111 VanDerWaalsContact O-CG 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.45Å; D107-L111 PolarHBondContact O-N 2.84Å; D107-L111 VanDerWaalsContact O-N 3.09Å
108R98.3Very high97.3Very high166 Ų16688.9 Ų88.963%0.62642%0.421SS*.Hα-helixtrans-61.8-36.6171.8-74.8168.1-179.8-1780.7112.2A104 H106 R112A104-R108 WeakPolarHBondContact O-CB 3.46Å; A104-R108 WeakPolarHBondContact O-CD 3.48Å; A104-R108 WeakPolarHBondContact O-CG 3.47Å; A104-R108 PolarHBondContact O-N 3.15Å; A104-R108 VanDerWaalsContact O-N 3.11Å; H106-R108 PolarHBondContact O-N 3.43Å; R108-R112 WeakPolarHBondContact O-CB 3.43Å; R108-R112 WeakPolarHBondContact O-CD 3.18Å; R108-R112 WeakPolarHBondContact O-CG 3.45Å; R108-R112 PolarHBondContact O-N 3Å
109R96.8Very high97.2Very high136 Ų13688.2 Ų88.251%0.51342%0.415SS..Hα-helixtrans-72.7-44.9-179.6-172.7-178.7-178.31368111.8E105 H106 D107 R112 M113E105-R109 WeakPolarHBondContact O-CB 3.45Å; E105-R109 PolarHBondContact O-N 3.4Å; H106-R109 WeakPolarHBondContact O-CA 3.4Å; H106-R109 WeakPolarHBondContact O-CB 3.26Å; H106-R109 PolarHBondContact O-N 3.31Å; D107-R109 VanDerWaalsContact C-N 3.28Å; D107-R109 PolarHBondContact O-N 2.94Å; R109-R112 PolarHBondContact O-N 3.45Å; R109-M113 HydrophobicContact CG-CE 4.03Å; R109-M113 HydrophobicContact CG-SD 4.31Å; R109-M113 WeakPolarHBondContact O-CG 3.45Å; R109-M113 PolarHBondContact O-N 2.83Å; R109-M113 VanDerWaalsContact O-N 3.14Å
110T95.9Very high97.1Very high16 Ų1687.6 Ų87.610%0.09841%0.411CS..Hα-helixtrans-64.7-46.5179.152.10000111.2H106 D107 R112 M113 L114 L151H106-T110 PolarHBondContact O-N 3.14Å; H106-T110 PolarHBondContact O-OG1 3.22Å; D107-T110 PolarHBondContact O-OG1 3.36Å; D107-T110 VanDerWaalsContact O-OG1 3.07Å; T110-R112 VanDerWaalsContact C-N 3.33Å; T110-R112 PolarHBondContact O-N 3.12Å; T110-M113 PolarHBondContact O-N 3.13Å; T110-L114 WeakPolarHBondContact O-CG 3.24Å; T110-L114 PolarHBondContact O-N 3.15Å; T110-L151 HydrophobicContact CG2-CD1 4.48Å
111L96.8Very high96.9Very high99 Ų9985.6 Ų85.652%0.51839%0.394SS..Hα-helixtrans-63.1-36177.8-68.1174.4000113D107 R115 W143D107-L111 WeakPolarHBondContact O-CB 3.39Å; D107-L111 VanDerWaalsContact O-CG 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.45Å; D107-L111 PolarHBondContact O-N 2.84Å; D107-L111 VanDerWaalsContact O-N 3.09Å; L111-R115 VanDerWaalsContact O-CB 3.3Å; L111-R115 WeakPolarHBondContact O-CB 3.46Å; L111-R115 PolarHBondContact O-N 3.15Å; L111-W143 HydrophobicContact CD2-CH2 4.13Å
112R97.1Very high96.7Very high172 Ų17282.9 Ų82.965%0.64938%0.384SS*.Hα-helixtrans-62.7-49.9172.8-78.2170.7-177.2-177.7-0112R108 R109 T110 L114 R115 E116R108-R112 WeakPolarHBondContact O-CB 3.43Å; R108-R112 WeakPolarHBondContact O-CD 3.18Å; R108-R112 WeakPolarHBondContact O-CG 3.45Å; R108-R112 PolarHBondContact O-N 3Å; R109-R112 PolarHBondContact O-N 3.45Å; T110-R112 VanDerWaalsContact C-N 3.33Å; T110-R112 PolarHBondContact O-N 3.12Å; R112-L114 VanDerWaalsContact C-N 3.35Å; R112-L114 PolarHBondContact O-N 3.29Å; R112-R115 PolarHBondContact O-N 3.18Å; R112-R115 VanDerWaalsContact O-N 3.14Å; R112-E116 VanDerWaalsContact O-CG 3.31Å; R112-E116 WeakPolarHBondContact O-CG 3.36Å; R112-E116 PolarHBondContact O-N 2.8Å
113M96.1Very high96.6Very high17 Ų1782.8 Ų82.88%0.08438%0.384CS..Hα-helixtrans-63.4-39.9-179.6-66.6-180-51.900111.8R109 T110 E116 N117 L151 F152R109-M113 HydrophobicContact CG-CE 4.03Å; R109-M113 HydrophobicContact CG-SD 4.31Å; R109-M113 WeakPolarHBondContact O-CG 3.45Å; R109-M113 PolarHBondContact O-N 2.83Å; R109-M113 VanDerWaalsContact O-N 3.14Å; T110-M113 PolarHBondContact O-N 3.13Å; M113-E116 PolarHBondContact O-N 3.33Å; M113-N117 WeakPolarHBondContact O-CB 3.15Å; M113-N117 PolarHBondContact O-N 2.98Å; M113-N117 PolarHBondContact O-OD1 2.93Å; M113-L151 HydrophobicContact CB-CD2 4.13Å; M113-L151 HydrophobicContact CE-CD1 4.14Å; M113-L151 HydrophobicContact CE-CD2 4.18Å; M113-F152 HydrophobicContact CE-CZ 4.31Å; M113-F152 HydrophobicContact SD-CE1 4.3Å; M113-F152 HydrophobicContact SD-CZ 3.92Å
114L96.2Very high96.4Very high35 Ų3582.9 Ų82.918%0.18339%0.386CS..Hα-helixtrans-65.5-37.5173.5-71.2174.1000112.6T110 R112 N117 L118 W143 P146 L151T110-L114 WeakPolarHBondContact O-CG 3.24Å; T110-L114 PolarHBondContact O-N 3.15Å; R112-L114 VanDerWaalsContact C-N 3.35Å; R112-L114 PolarHBondContact O-N 3.29Å; L114-N117 PolarHBondContact O-N 2.83Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 2.94Å; L114-W143 HydrophobicContact CD1-CH2 3.51Å; L114-W143 HydrophobicContact CD1-CZ2 4.14Å; L114-P146 HydrophobicContact CD1-CB 4.39Å; L114-P146 HydrophobicContact CD1-CG 4.07Å; L114-P146 HydrophobicContact CD2-CB 4.08Å; L114-P146 HydrophobicContact CD2-CG 4.45Å; L114-L151 HydrophobicContact CD2-CD2 3.73Å; L114-L151 HydrophobicContact CG-CD2 3.72Å
115R96.6Very high96.2Very high147 Ų14784.1 Ų84.156%0.55539%0.386SS*.Hα-helixtrans-66-43.6177.5-178.862.6-164.416510.9111.8L111 R112 L118 E119L111-R115 VanDerWaalsContact O-CB 3.3Å; L111-R115 WeakPolarHBondContact O-CB 3.46Å; L111-R115 PolarHBondContact O-N 3.15Å; R112-R115 PolarHBondContact O-N 3.18Å; R112-R115 VanDerWaalsContact O-N 3.14Å; R115-L118 PolarHBondContact O-N 2.86Å; R115-E119 IonicContact CZ-OE1 2.62Å; R115-E119 IonicContact NE-OE1 3.77Å; R115-E119 PolarHBondContact NE-OE1 3.32Å; R115-E119 IonicContact NH2-OE1 3.83Å; R115-E119 PolarHBondContact NH2-OE1 3.06Å; R115-E119 WeakPolarHBondContact O-CG 3.32Å; R115-E119 PolarHBondContact O-N 3.47Å
116E96.3Very high96Very high74 Ų7485.2 Ų85.235%0.34639%0.389SS..Hα-helixtrans-58.4-49.1172.7-67.9162.3173.800110.7R112 M113 L118 E119 E120 R155R112-E116 VanDerWaalsContact O-CG 3.31Å; R112-E116 WeakPolarHBondContact O-CG 3.36Å; R112-E116 PolarHBondContact O-N 2.8Å; M113-E116 PolarHBondContact O-N 3.33Å; E116-L118 PolarHBondContact O-N 2.91Å; E116-E119 PolarHBondContact O-N 2.83Å; E116-E119 VanDerWaalsContact O-N 3.15Å; E116-E120 PolarHBondContact O-N 3.43Å; E116-R155 IonicContact OE1-NH2 3.1Å; E116-R155 IonicContact OE2-CZ 2.75Å; E116-R155 IonicContact OE2-NH2 2.69Å; E116-R155 PolarHBondContact OE2-NH2 3.43Å
117N96.1Very high95.8Very high16 Ų1687.4 Ų87.49%0.08640%0.404CS..Hα-helixtrans-63.1-38.6-179.6-66.7-1.6000112.4M113 L114 E120 E121 E150 L151 L154M113-N117 WeakPolarHBondContact O-CB 3.15Å; M113-N117 PolarHBondContact O-N 2.98Å; M113-N117 PolarHBondContact O-OD1 2.93Å; L114-N117 PolarHBondContact O-N 2.83Å; N117-E120 PolarHBondContact O-N 2.81Å; N117-E121 VanDerWaalsContact O-CB 3.24Å; N117-E121 WeakPolarHBondContact O-CB 3.37Å; N117-E121 PolarHBondContact O-N 3.17Å; N117-E150 PolarHBondContact ND2-O 2.91Å; N117-L151 PolarHBondContact ND2-O 2.96Å; N117-L151 VanDerWaalsContact ND2-O 3.13Å; N117-L154 HydrophobicContact CB-CD1 4.14Å
118L95.9Very high95.6Very high61 Ų6187.5 Ų87.532%0.31941%0.407SS..Hα-helixtrans-67.4-35.3174.4-73.9166.1000112.6L114 R115 E116 S122 V133 G134L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 2.94Å; R115-L118 PolarHBondContact O-N 2.86Å; E116-L118 PolarHBondContact O-N 2.91Å; L118-S122 VanDerWaalsContact O-CB 3.31Å; L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 2.92Å; L118-V133 HydrophobicContact CD2-CG1 4.31Å; L118-G134 VanDerWaalsContact CD2-CA 3.42Å
119E96.3Very high95.4Very high87 Ų8785.6 Ų85.641%0.40742%0.416SS..Hα-helixtrans-68.1-44.5175.3-75174.3-179.800110.9R115 E116 S122 I123R115-E119 IonicContact CZ-OE1 2.62Å; R115-E119 IonicContact NE-OE1 3.77Å; R115-E119 PolarHBondContact NE-OE1 3.32Å; R115-E119 IonicContact NH2-OE1 3.83Å; R115-E119 PolarHBondContact NH2-OE1 3.06Å; R115-E119 WeakPolarHBondContact O-CG 3.32Å; R115-E119 PolarHBondContact O-N 3.47Å; E116-E119 PolarHBondContact O-N 2.83Å; E116-E119 VanDerWaalsContact O-N 3.15Å; E119-S122 PolarHBondContact O-N 3.32Å; E119-S122 PolarHBondContact O-OG 3.32Å; E119-I123 WeakPolarHBondContact O-CD1 3.49Å; E119-I123 WeakPolarHBondContact O-CG1 3.43Å; E119-I123 PolarHBondContact O-N 2.9Å
120E95.8Very high95.2Very high94 Ų9483 Ų8344%0.43943%0.431SS..Hα-helixtrans-65.7-43.2173.7-71.3-170-16400112.7E116 N117 S122 I123 I124 L154E116-E120 PolarHBondContact O-N 3.43Å; N117-E120 PolarHBondContact O-N 2.81Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 3.34Å; E120-I123 WeakPolarHBondContact O-CA 3.31Å; E120-I123 WeakPolarHBondContact O-CB 3.48Å; E120-I123 PolarHBondContact O-N 2.93Å; E120-I124 HydrophobicContact CB-CD1 4.48Å; E120-I124 VanDerWaalsContact O-CG1 3.32Å; E120-I124 WeakPolarHBondContact O-CG1 3.38Å; E120-I124 PolarHBondContact O-N 3.01Å; E120-L154 HydrophobicContact CB-CD1 3.78Å; E120-L154 WeakPolarHBondContact OE2-CD1 3.27Å
121E94.4Very high95.1Very high44 Ų4489 Ų8921%0.20645%0.452CS..Hα-helixtrans-56.3-44.7173.5-172.1-163.9159.200110.9N117 I123 I124 M125 W131 V133 G134N117-E121 VanDerWaalsContact O-CB 3.24Å; N117-E121 WeakPolarHBondContact O-CB 3.37Å; N117-E121 PolarHBondContact O-N 3.17Å; E121-I123 PolarHBondContact O-N 3.34Å; E121-I124 PolarHBondContact O-N 2.77Å; E121-M125 HydrophobicContact CG-CG 4.08Å; E121-M125 WeakPolarHBondContact O-CB 3.21Å; E121-M125 PolarHBondContact O-N 3.39Å; E121-W131 PolarHBondContact OE1-NE1 3.43Å; E121-V133 HydrophobicContact CB-CG1 4.35Å; E121-V133 HydrophobicContact CG-CG1 4.27Å; E121-V133 WeakPolarHBondContact OE1-CA 3.41Å; E121-G134 PolarHBondContact OE1-N 2.88Å
122S94.4Very high94.9Very high48 Ų4890 Ų9034%0.33645%0.453SS..Hα-helixtrans-63.4-20.1176.9840000114L118 E119 E120 K126L118-S122 VanDerWaalsContact O-CB 3.31Å; L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 2.92Å; E119-S122 PolarHBondContact O-N 3.32Å; E119-S122 PolarHBondContact O-OG 3.32Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 3.34Å; S122-K126 WeakPolarHBondContact O-CE 3.48Å; S122-K126 WeakPolarHBondContact O-CG 3.48Å
123I95.5Very high94.7Very high104 Ų10485.1 Ų85.153%0.53344%0.441SS..Hα-helixtrans-89.1-42.2176.7-67.9163.9000110.6E119 E120 E121E119-I123 WeakPolarHBondContact O-CD1 3.49Å; E119-I123 WeakPolarHBondContact O-CG1 3.43Å; E119-I123 PolarHBondContact O-N 2.9Å; E120-I123 WeakPolarHBondContact O-CA 3.31Å; E120-I123 WeakPolarHBondContact O-CB 3.48Å; E120-I123 PolarHBondContact O-N 2.93Å; E121-I123 PolarHBondContact O-N 3.34Å
124I94.7Very high94.4Very high96 Ų9686.5 Ų86.549%0.49246%0.461SS..Hα-helixtrans-75.3-38.1-176-63.7163.5000111.7E120 E121E120-I124 HydrophobicContact CB-CD1 4.48Å; E120-I124 VanDerWaalsContact O-CG1 3.32Å; E120-I124 WeakPolarHBondContact O-CG1 3.38Å; E120-I124 PolarHBondContact O-N 3.01Å; E121-I124 PolarHBondContact O-N 2.77Å
125M94Very high94.3Very high64 Ų6490.3 Ų90.332%0.31548%0.477SS..SBendtrans-94.812-170.6-60.6-60.4170.300114.9E121 D127 V128 W131E121-M125 HydrophobicContact CG-CG 4.08Å; E121-M125 WeakPolarHBondContact O-CB 3.21Å; E121-M125 PolarHBondContact O-N 3.39Å; M125-D127 VanDerWaalsContact C-N 3.26Å; M125-D127 PolarHBondContact O-N 3.49Å; M125-V128 PolarHBondContact O-N 3.37Å; M125-V128 HydrophobicContact SD-CG2 4.08Å; M125-W131 HydrophobicContact CB-CG 4.04Å; M125-W131 HydrophobicContact CG-CG 4.37Å
126K93.2Very high94Very high142 Ų14287 Ų8762%0.61748%0.477SS*.THydrogen-bonded Turntrans-57.1-37.3-177.6-70.1177.6172.41540113.9S122S122-K126 WeakPolarHBondContact O-CE 3.48Å; S122-K126 WeakPolarHBondContact O-CG 3.48Å
127D94.2Very high93.8Very high151 Ų15189.8 Ų89.881%0.80750%0.499SS*.THydrogen-bonded Turntrans-93.5-0.2-170.4-53.9-46.3000112.9M125 P129M125-D127 VanDerWaalsContact C-N 3.26Å; M125-D127 PolarHBondContact O-N 3.49Å; D127-P129 WeakPolarHBondContact O-CD 3.48Å
128V94.1Very high93.7Very high69 Ų6994.3 Ų94.342%0.41852%0.518SS..SBendtrans-93.2112.3-176.2-176.50000110.4M125 G130 W131M125-V128 PolarHBondContact O-N 3.37Å; M125-V128 HydrophobicContact SD-CG2 4.08Å; V128-G130 PolarHBondContact O-N 3.42Å; V128-W131 HydrophobicContact CB-CB 4.21Å; V128-W131 HydrophobicContact CG1-CB 4.19Å; V128-W131 PolarHBondContact O-N 3.15Å
129P94.1Very high93.7Very high125 Ų125100.8 Ų100.881%0.81255%0.546SS*.THydrogen-bonded Turntrans-67.9131-177.327.7-34.4000111.5D127D127-P129 WeakPolarHBondContact O-CD 3.48Å
130G90.9Very high93.6Very high81 Ų81100.1 Ų100.184%0.83555%0.548SS*.THydrogen-bonded Turntrans85.3-1.3177.500000115.4V128V128-G130 PolarHBondContact O-N 3.42Å
131W94.3Very high93.5Very high142 Ų142104.3 Ų104.354%0.53857%0.574SS.*  trans-74134.2173-165.5-94.6000111.3E121 M125 V128E121-W131 PolarHBondContact OE1-NE1 3.43Å; M125-W131 HydrophobicContact CB-CG 4.04Å; M125-W131 HydrophobicContact CG-CG 4.37Å; V128-W131 HydrophobicContact CB-CB 4.21Å; V128-W131 HydrophobicContact CG1-CB 4.19Å; V128-W131 PolarHBondContact O-N 3.15Å
132K92.4Very high93.5Very high122 Ų122112.1 Ų112.153%0.5360%0.601SS.*  trans-115112.6171.9-56.2-162.5-147.990.50109.3G134 E135K132-G134 PolarHBondContact O-N 3.22Å; K132-E135 HydrophobicContact CB-CB 3.86Å; K132-E135 WeakPolarHBondContact CD-OE2 3.43Å; K132-E135 IonicContact NZ-OE1 2.72Å; K132-E135 PolarHBondContact NZ-OE1 3Å; K132-E135 IonicContact NZ-OE2 2.64Å; K132-E135 PolarHBondContact NZ-OE2 2.85Å; K132-E135 PolarHBondContact O-N 2.97Å
133V93.2Very high93.5Very high68 Ų68117.6 Ų117.641%0.41261%0.614SS.*THydrogen-bonded Turntrans-60.7127.1180-178.80000110.2L118 E121 E135L118-V133 HydrophobicContact CD2-CG1 4.31Å; E121-V133 HydrophobicContact CB-CG1 4.35Å; E121-V133 HydrophobicContact CG-CG1 4.27Å; E121-V133 WeakPolarHBondContact OE1-CA 3.41Å; V133-E135 VanDerWaalsContact C-N 3.29Å; V133-E135 PolarHBondContact O-N 3.44Å
134G90.8Very high93.4Very high47 Ų47115.4 Ų115.449%0.48561%0.606SS.*THydrogen-bonded Turntrans68.219.1178.200000115.9L118 E121 K132 S136L118-G134 VanDerWaalsContact CD2-CA 3.42Å; E121-G134 PolarHBondContact OE1-N 2.88Å; K132-G134 PolarHBondContact O-N 3.22Å; G134-S136 PolarHBondContact O-N 2.87Å
135E92.1Very high93.4Very high114 Ų114115.5 Ų115.553%0.53361%0.613SS.*  trans-67.4128.6170.4178.4161-134.200110.7K132 V133 V137K132-E135 HydrophobicContact CB-CB 3.86Å; K132-E135 WeakPolarHBondContact CD-OE2 3.43Å; K132-E135 IonicContact NZ-OE1 2.72Å; K132-E135 PolarHBondContact NZ-OE1 3Å; K132-E135 IonicContact NZ-OE2 2.64Å; K132-E135 PolarHBondContact NZ-OE2 2.85Å; K132-E135 PolarHBondContact O-N 2.97Å; V133-E135 VanDerWaalsContact C-N 3.29Å; V133-E135 PolarHBondContact O-N 3.44Å; E135-V137 PolarHBondContact O-N 3.44Å
136S91.8Very high93.4Very high79 Ų79113.9 Ų113.955%0.55261%0.607SS**  trans-72126.2-178.856.80000111.5G134 F138G134-S136 PolarHBondContact O-N 2.87Å; S136-F138 PolarHBondContact O-N 3.27Å; S136-F138 PolarHBondContact OG-O 3.34Å
137V92.4Very high93.4Very high132 Ų132112.2 Ų112.280%0.860%0.604SS**SBendtrans-60.9-27.1174-175.10000111.9E135E135-V137 PolarHBondContact O-N 3.44Å
138F94.1Very high93.3Very high111 Ų111107.6 Ų107.649%0.48758%0.583SS.*SBendtrans-85.3142.6178.1-55.8-73.8000112.1S136 T140 V144S136-F138 PolarHBondContact O-N 3.27Å; S136-F138 PolarHBondContact OG-O 3.34Å; F138-T140 PolarHBondContact O-N 3Å; F138-V144 HydrophobicContact CD2-CB 4.17Å; F138-V144 HydrophobicContact CD2-CG1 4.35Å; F138-V144 HydrophobicContact CD2-CG2 3.75Å; F138-V144 HydrophobicContact CE2-CB 4.03Å; F138-V144 HydrophobicContact CE2-CG1 3.76Å; F138-V144 HydrophobicContact CE2-CG2 4.02Å; F138-V144 HydrophobicContact CG-CG2 4.24Å; F138-V144 HydrophobicContact CZ-CG1 4.14Å
139H94.2Very high93.2Very high196 Ų196107.9 Ų107.991%0.90758%0.583SS**SBendtrans-77.322.4175.6-52.1-47.1000114.1
140T95Very high93.1Very high74 Ų74106.2 Ų106.245%0.45456%0.564SS.*SBendtrans-131.6131.9-173.159.90000111.4F138 R142F138-T140 PolarHBondContact O-N 3Å; T140-R142 PolarHBondContact O-N 3.5Å
141D93.4Very high93.3Very high182 Ų182103 Ų10397%0.97353%0.528SS*.SBendtrans-69.84.3175.4-46.1-52.4000113.9
142R95.6Very high93.3Very high207 Ų20797.1 Ų97.178%0.78151%0.506SS*.SBendtrans-77.4134.9177.7177.2179.9-69.3-156.2-0.4109.8T140 V144T140-R142 PolarHBondContact O-N 3.5Å; R142-V144 PolarHBondContact O-N 2.87Å
143W93.9Very high93.2Very high163 Ų16395.1 Ų95.162%0.61751%0.508SS*.  trans-55.1123.3167.3179.8-107.1000112.2L111 L114L111-W143 HydrophobicContact CD2-CH2 4.13Å; L114-W143 HydrophobicContact CD1-CH2 3.51Å; L114-W143 HydrophobicContact CD1-CZ2 4.14Å
144V94Very high93.2Very high59 Ų5995.5 Ų95.536%0.35851%0.507SS..  trans-107.5130.4171.2-177.80000107.7F138 R142F138-V144 HydrophobicContact CD2-CB 4.17Å; F138-V144 HydrophobicContact CD2-CG1 4.35Å; F138-V144 HydrophobicContact CD2-CG2 3.75Å; F138-V144 HydrophobicContact CE2-CB 4.03Å; F138-V144 HydrophobicContact CE2-CG1 3.76Å; F138-V144 HydrophobicContact CE2-CG2 4.02Å; F138-V144 HydrophobicContact CG-CG2 4.24Å; F138-V144 HydrophobicContact CZ-CG1 4.14Å; R142-V144 PolarHBondContact O-N 2.87Å
145P93.9Very high93.2Very high97 Ų9797.7 Ų97.763%0.6350%0.501SS*.PPolyproline II helixtrans-64132.6176.627-34.1000110
146P94.3Very high93.4Very high30 Ų3096 Ų9620%0.19550%0.5CS..PPolyproline II helixtrans-70.2149.9-175.131.6-39.3000111.9L114 E150 L151L114-P146 HydrophobicContact CD1-CB 4.39Å; L114-P146 HydrophobicContact CD1-CG 4.07Å; L114-P146 HydrophobicContact CD2-CB 4.08Å; L114-P146 HydrophobicContact CD2-CG 4.45Å; P146-E150 WeakPolarHBondContact CA-OE2 3.11Å; P146-E150 HydrophobicContact CB-CB 4.48Å; P146-E150 WeakPolarHBondContact CB-OE2 3.45Å; P146-L151 HydrophobicContact CB-CD2 4.19Å; P146-L151 HydrophobicContact CB-CG 4.06Å; P146-L151 HydrophobicContact CG-CD1 3.96Å; P146-L151 HydrophobicContact CG-CD2 3.86Å; P146-L151 HydrophobicContact CG-CG 3.92Å
147L93.1Very high93.4Very high108 Ų108101.7 Ų101.757%0.56551%0.509SS*.PPolyproline II helixtrans-71.5157.8174.1-64.1173000111.3D149 E150 L151L147-D149 PolarHBondContact O-N 3.44Å; L147-E150 HydrophobicContact CB-CB 4.44Å; L147-E150 HydrophobicContact CB-CG 4.07Å; L147-E150 PolarHBondContact N-OE2 3.47Å; L147-E150 PolarHBondContact O-N 3.07Å; L147-L151 PolarHBondContact O-N 3.29Å; L147-L151 VanDerWaalsContact O-N 3.17Å
148S92.1Very high93.5Very high53 Ų53103 Ų10337%0.37151%0.507SS..Hα-helixtrans-54.3-35.4170.848.50000112.3F152S148-F152 WeakPolarHBondContact O-CB 3.46Å; S148-F152 WeakPolarHBondContact O-CD2 3.35Å; S148-F152 PolarHBondContact O-N 3.4Å; S148-F152 VanDerWaalsContact O-N 3.13Å
149D91.8Very high93.4Very high76 Ų76101.8 Ų101.841%0.40650%0.502SS..Hα-helixtrans-75.9-36.4-174.6-63.226.1000110.3L147 S153 Y160L147-D149 PolarHBondContact O-N 3.44Å; D149-S153 WeakPolarHBondContact O-CA 3.3Å; D149-S153 WeakPolarHBondContact O-CB 3.36Å; D149-S153 PolarHBondContact O-N 3.01Å; D149-Y160 HydrophobicContact CB-CE2 4.35Å; D149-Y160 WeakPolarHBondContact OD1-CE2 3.48Å; D149-Y160 PolarHBondContact OD1-OH 3.46Å; D149-Y160 PolarHBondContact OD2-OH 2.87Å; D149-Y160 VanDerWaalsContact OD2-OH 3.14Å
150E92.3Very high93.3Very high89 Ų8994.2 Ų94.242%0.41647%0.466SS..Hα-helixtrans-68.3-35.6174.5-67.6165.7178.800112.6N117 P146 L147N117-E150 PolarHBondContact ND2-O 2.91Å; P146-E150 WeakPolarHBondContact CA-OE2 3.11Å; P146-E150 HydrophobicContact CB-CB 4.48Å; P146-E150 WeakPolarHBondContact CB-OE2 3.45Å; L147-E150 HydrophobicContact CB-CB 4.44Å; L147-E150 HydrophobicContact CB-CG 4.07Å; L147-E150 PolarHBondContact N-OE2 3.47Å; L147-E150 PolarHBondContact O-N 3.07Å
151L94.5Very high93.3Very high15 Ų1593 Ų938%0.07946%0.457CS..Hα-helixtrans-76.8-34.7178.9-71.3175000113.5T110 M113 L114 N117 P146 L147T110-L151 HydrophobicContact CG2-CD1 4.48Å; M113-L151 HydrophobicContact CB-CD2 4.13Å; M113-L151 HydrophobicContact CE-CD1 4.14Å; M113-L151 HydrophobicContact CE-CD2 4.18Å; L114-L151 HydrophobicContact CD2-CD2 3.73Å; L114-L151 HydrophobicContact CG-CD2 3.72Å; N117-L151 PolarHBondContact ND2-O 2.96Å; N117-L151 VanDerWaalsContact ND2-O 3.13Å; P146-L151 HydrophobicContact CB-CD2 4.19Å; P146-L151 HydrophobicContact CB-CG 4.06Å; P146-L151 HydrophobicContact CG-CD1 3.96Å; P146-L151 HydrophobicContact CG-CD2 3.86Å; P146-L151 HydrophobicContact CG-CG 3.92Å; L147-L151 PolarHBondContact O-N 3.29Å; L147-L151 VanDerWaalsContact O-N 3.17Å
152F95.1Very high93.3Very high17 Ų1790.4 Ų90.48%0.07544%0.438CS..Hα-helixtrans-116.26.5-168.8-70.5-83.1000114.6M113 S148 L154 R155 Q159 Y160 K163M113-F152 HydrophobicContact CE-CZ 4.31Å; M113-F152 HydrophobicContact SD-CE1 4.3Å; M113-F152 HydrophobicContact SD-CZ 3.92Å; S148-F152 WeakPolarHBondContact O-CB 3.46Å; S148-F152 WeakPolarHBondContact O-CD2 3.35Å; S148-F152 PolarHBondContact O-N 3.4Å; S148-F152 VanDerWaalsContact O-N 3.13Å; F152-L154 PolarHBondContact O-N 2.99Å; F152-R155 HydrophobicContact CD1-CB 4.19Å; F152-R155 HydrophobicContact CD1-CG 4.06Å; F152-R155 PolarHBondContact O-N 2.66Å; F152-R155 VanDerWaalsContact O-N 3.16Å; F152-Q159 HydrophobicContact CD1-CB 4.43Å; F152-Y160 HydrophobicContact CB-CD2 3.92Å; F152-K163 HydrophobicContact CD1-CG 4.45Å; F152-K163 HydrophobicContact CD2-CB 4.45Å; F152-K163 HydrophobicContact CD2-CG 4.35Å; F152-K163 HydrophobicContact CE1-CG 3.94Å; F152-K163 HydrophobicContact CE2-CB 4.28Å; F152-K163 HydrophobicContact CE2-CD 4.11Å; F152-K163 HydrophobicContact CE2-CG 3.83Å; F152-K163 HydrophobicContact CZ-CD 3.85Å; F152-K163 HydrophobicContact CZ-CG 3.62Å
153S90.4Very high93.1Very high81 Ų8186 Ų8657%0.56643%0.425SS*.THydrogen-bonded Turntrans-54.6-44.5178.849.50000114.3D149 R155D149-S153 WeakPolarHBondContact O-CA 3.3Å; D149-S153 WeakPolarHBondContact O-CB 3.36Å; D149-S153 PolarHBondContact O-N 3.01Å; S153-R155 VanDerWaalsContact C-N 3.34Å
154L91.8Very high93Very high76 Ų7684.8 Ų84.840%0.39842%0.42SS..THydrogen-bonded Turntrans-84.6-8.7-178.6-55.3176.9000112.8N117 E120 F152N117-L154 HydrophobicContact CB-CD1 4.14Å; E120-L154 HydrophobicContact CB-CD1 3.78Å; E120-L154 WeakPolarHBondContact OE2-CD1 3.27Å; F152-L154 PolarHBondContact O-N 2.99Å
155R92.6Very high93Very high93 Ų9385.1 Ų85.135%0.35142%0.417SS..SBendtrans-87.2158.5-178.3-63.3-67.9-171.6161.81111.1E116 F152 S153 R157E116-R155 IonicContact OE1-NH2 3.1Å; E116-R155 IonicContact OE2-CZ 2.75Å; E116-R155 IonicContact OE2-NH2 2.69Å; E116-R155 PolarHBondContact OE2-NH2 3.43Å; F152-R155 HydrophobicContact CD1-CB 4.19Å; F152-R155 HydrophobicContact CD1-CG 4.06Å; F152-R155 PolarHBondContact O-N 2.66Å; F152-R155 VanDerWaalsContact O-N 3.16Å; S153-R155 VanDerWaalsContact C-N 3.34Å; R155-R157 PolarHBondContact O-N 3.17Å
156P95.7Very high93.1Very high79 Ų7981.3 Ų81.351%0.51340%0.395SS..  trans-54.5137.7174.6-26.534.9000112.6E158 Q159 Y160P156-E158 PolarHBondContact O-N 2.96Å; P156-Q159 WeakPolarHBondContact O-CB 3.08Å; P156-Q159 PolarHBondContact O-N 3.22Å; P156-Y160 PolarHBondContact O-N 2.87Å
157R92.2Very high93.1Very high198 Ų19888.1 Ų88.175%0.74742%0.421SS*.Hα-helixtrans-51.3-31.9-176.2-174.3179-178.5-175.31.5114R155 Y160 L161R155-R157 PolarHBondContact O-N 3.17Å; R157-Y160 WeakPolarHBondContact O-CB 3.43Å; R157-Y160 PolarHBondContact O-N 3.36Å; R157-L161 HydrophobicContact CG-CD1 4.02Å; R157-L161 HydrophobicContact CG-CG 4.23Å; R157-L161 WeakPolarHBondContact O-CB 3.25Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.32Å; R157-L161 PolarHBondContact O-N 3.22Å
158E92.8Very high93.1Very high160 Ų16088.6 Ų88.675%0.74842%0.424SS*.Hα-helixtrans-58.4-45.5174.7-174.3-175.8173.500112.4P156 Y160 L161 H162P156-E158 PolarHBondContact O-N 2.96Å; E158-Y160 VanDerWaalsContact C-N 3.35Å; E158-Y160 PolarHBondContact O-N 3.07Å; E158-L161 PolarHBondContact O-N 3.01Å; E158-H162 WeakPolarHBondContact O-CB 3.39Å; E158-H162 PolarHBondContact O-N 3.32Å
159Q93.1Very high93.2Very high85 Ų8594.2 Ų94.240%0.39744%0.437SS..Hα-helixtrans-65.5-40.7179.8-59.4-175.1900111.1F152 P156 K163F152-Q159 HydrophobicContact CD1-CB 4.43Å; P156-Q159 WeakPolarHBondContact O-CB 3.08Å; P156-Q159 PolarHBondContact O-N 3.22Å; Q159-K163 WeakPolarHBondContact O-CB 3.29Å; Q159-K163 VanDerWaalsContact O-CG 3.24Å; Q159-K163 WeakPolarHBondContact O-CG 3.15Å; Q159-K163 PolarHBondContact O-N 2.85Å
160Y92.8Very high93.2Very high37 Ų37100 Ų10015%0.14546%0.455CS..Hα-helixtrans-59.2-52.1173.2175.8-97.6000111.8D149 F152 P156 R157 E158 H162 K163 R164D149-Y160 HydrophobicContact CB-CE2 4.35Å; D149-Y160 WeakPolarHBondContact OD1-CE2 3.48Å; D149-Y160 PolarHBondContact OD1-OH 3.46Å; D149-Y160 PolarHBondContact OD2-OH 2.87Å; D149-Y160 VanDerWaalsContact OD2-OH 3.14Å; F152-Y160 HydrophobicContact CB-CD2 3.92Å; P156-Y160 PolarHBondContact O-N 2.87Å; R157-Y160 WeakPolarHBondContact O-CB 3.43Å; R157-Y160 PolarHBondContact O-N 3.36Å; E158-Y160 VanDerWaalsContact C-N 3.35Å; E158-Y160 PolarHBondContact O-N 3.07Å; Y160-H162 PolarHBondContact O-N 2.88Å; Y160-K163 PolarHBondContact O-N 3.31Å; Y160-K163 VanDerWaalsContact O-N 3.15Å; Y160-R164 WeakPolarHBondContact O-CB 3.45Å; Y160-R164 PolarHBondContact O-N 3.24Å; Y160-R164 WeakPolarHBondContact OH-CD 3.42Å; Y160-R164 PolarHBondContact OH-NH1 3.35Å
161L93.8Very high92.6Very high49 Ų49103.2 Ų103.226%0.25748%0.48SS..Hα-helixtrans-62.2-43.8179.9-72174.4000111.8R157 E158 K163 R164 F165 W169R157-L161 HydrophobicContact CG-CD1 4.02Å; R157-L161 HydrophobicContact CG-CG 4.23Å; R157-L161 WeakPolarHBondContact O-CB 3.25Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.32Å; R157-L161 PolarHBondContact O-N 3.22Å; E158-L161 PolarHBondContact O-N 3.01Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 3.08Å; L161-R164 PolarHBondContact O-N 2.92Å; L161-F165 HydrophobicContact CD2-CD2 3.96Å; L161-F165 HydrophobicContact CD2-CE2 3.96Å; L161-F165 PolarHBondContact O-N 3.17Å; L161-W169 HydrophobicContact CB-CH2 4.2Å; L161-W169 HydrophobicContact CB-CZ3 4.47Å
162H93.4Very high92.5Very high127 Ų127107.7 Ų107.759%0.58850%0.5SS*.Hα-helixtrans-61.3-37.3175-176.4-64.1000111.8E158 Y160 G166E158-H162 WeakPolarHBondContact O-CB 3.39Å; E158-H162 PolarHBondContact O-N 3.32Å; Y160-H162 PolarHBondContact O-N 2.88Å; H162-G166 WeakPolarHBondContact O-CA 3.43Å; H162-G166 PolarHBondContact O-N 3.31Å
163K92.3Very high92.4Very high114 Ų114112.4 Ų112.450%0.49652%0.523SS..Hα-helixtrans-72.5-35.9177.8-75.2-76.8170.2-168.40113.1F152 Q159 Y160 L161F152-K163 HydrophobicContact CD1-CG 4.45Å; F152-K163 HydrophobicContact CD2-CB 4.45Å; F152-K163 HydrophobicContact CD2-CG 4.35Å; F152-K163 HydrophobicContact CE1-CG 3.94Å; F152-K163 HydrophobicContact CE2-CB 4.28Å; F152-K163 HydrophobicContact CE2-CD 4.11Å; F152-K163 HydrophobicContact CE2-CG 3.83Å; F152-K163 HydrophobicContact CZ-CD 3.85Å; F152-K163 HydrophobicContact CZ-CG 3.62Å; Q159-K163 WeakPolarHBondContact O-CB 3.29Å; Q159-K163 VanDerWaalsContact O-CG 3.24Å; Q159-K163 WeakPolarHBondContact O-CG 3.15Å; Q159-K163 PolarHBondContact O-N 2.85Å; Y160-K163 PolarHBondContact O-N 3.31Å; Y160-K163 VanDerWaalsContact O-N 3.15Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 3.08Å
164R91.9Very high92.5Very high138 Ų138114.2 Ų114.252%0.52152%0.52SS..Hα-helixtrans-81.2-38.1-179.2-177.7170.7169.1168.4-0.9113.8Y160 L161Y160-R164 WeakPolarHBondContact O-CB 3.45Å; Y160-R164 PolarHBondContact O-N 3.24Å; Y160-R164 WeakPolarHBondContact OH-CD 3.42Å; Y160-R164 PolarHBondContact OH-NH1 3.35Å; L161-R164 PolarHBondContact O-N 2.92Å
165F94.4Very high92.5Very high66 Ų66116.4 Ų116.429%0.28953%0.528SS..Hα-helixtrans-122-10.2-171.6-60.2-67.2000114.8L161 F167 L168 W169L161-F165 HydrophobicContact CD2-CD2 3.96Å; L161-F165 HydrophobicContact CD2-CE2 3.96Å; L161-F165 PolarHBondContact O-N 3.17Å; F165-F167 VanDerWaalsContact C-N 3.26Å; F165-F167 PolarHBondContact O-N 3.07Å; F165-F167 VanDerWaalsContact O-N 3.15Å; F165-L168 WeakPolarHBondContact O-CA 3.47Å; F165-L168 WeakPolarHBondContact O-CB 3.19Å; F165-L168 PolarHBondContact O-N 3.21Å; F165-W169 HydrophobicContact CB-CD2 3.89Å; F165-W169 HydrophobicContact CB-CE3 4.17Å; F165-W169 HydrophobicContact CB-CH2 4.04Å; F165-W169 HydrophobicContact CB-CZ2 3.73Å; F165-W169 HydrophobicContact CB-CZ3 4.24Å; F165-W169 HydrophobicContact CD2-CH2 4.4Å; F165-W169 HydrophobicContact CD2-CZ2 4.22Å; F165-W169 HydrophobicContact CG-CZ2 4.17Å; F165-W169 PolarHBondContact O-N 3.06Å
166G94.8Very high92.5Very high16 Ų16117.9 Ų117.917%0.16554%0.539CS..THydrogen-bonded Turntrans-59-31.6-173.100000114.7H162 Y170H162-G166 WeakPolarHBondContact O-CA 3.43Å; H162-G166 PolarHBondContact O-N 3.31Å; G166-Y170 WeakPolarHBondContact O-CB 3.43Å; G166-Y170 PolarHBondContact O-N 2.81Å
167F93.9Very high92.3Very high173 Ų173120.5 Ų120.576%0.75954%0.54SS*.THydrogen-bonded Turntrans-68.8-40172.3178.8-104000112.5F165 Y170 V171F165-F167 VanDerWaalsContact C-N 3.26Å; F165-F167 PolarHBondContact O-N 3.07Å; F165-F167 VanDerWaalsContact O-N 3.15Å; F167-Y170 PolarHBondContact O-N 3.26Å; F167-V171 HydrophobicContact CE2-CG2 4.49Å; F167-V171 HydrophobicContact CZ-CG2 4.36Å
168L94.6Very high92.3Very high119 Ų119114.9 Ų114.962%0.62353%0.525SS*.THydrogen-bonded Turntrans-71.2-30.3179.1-178.862.9000112.3F165 Y170F165-L168 WeakPolarHBondContact O-CA 3.47Å; F165-L168 WeakPolarHBondContact O-CB 3.19Å; F165-L168 PolarHBondContact O-N 3.21Å; L168-Y170 VanDerWaalsContact C-N 3.34Å
169W92.8Very high92.3Very high170 Ų170111.5 Ų111.564%0.64451%0.508SS*.THydrogen-bonded Turntrans-82.1-10175.9-64.5-24.3000114.2L161 F165L161-W169 HydrophobicContact CB-CH2 4.2Å; L161-W169 HydrophobicContact CB-CZ3 4.47Å; F165-W169 HydrophobicContact CB-CD2 3.89Å; F165-W169 HydrophobicContact CB-CE3 4.17Å; F165-W169 HydrophobicContact CB-CH2 4.04Å; F165-W169 HydrophobicContact CB-CZ2 3.73Å; F165-W169 HydrophobicContact CB-CZ3 4.24Å; F165-W169 HydrophobicContact CD2-CH2 4.4Å; F165-W169 HydrophobicContact CD2-CZ2 4.22Å; F165-W169 HydrophobicContact CG-CZ2 4.17Å; F165-W169 PolarHBondContact O-N 3.06Å
170Y91.8Very high92.2Very high199 Ų199113.7 Ų113.778%0.7852%0.518SS*.THydrogen-bonded Turntrans-90.4-18.3179.1-179.8-97.2000113.3G166 F167 L168G166-Y170 WeakPolarHBondContact O-CB 3.43Å; G166-Y170 PolarHBondContact O-N 2.81Å; F167-Y170 PolarHBondContact O-N 3.26Å; L168-Y170 VanDerWaalsContact C-N 3.34Å
171V80.4Confident92.2Very high156 Ų156120.6 Ų120.695%0.94555%0.552SS**  trans-99.60-177.61790000110.8F167F167-V171 HydrophobicContact CE2-CG2 4.49Å; F167-V171 HydrophobicContact CZ-CG2 4.36Å

Retrieved 171 of 171 residues in 48.6 ms (Link to these results)