RAB6A_HUMAN Loading...

Ras-related protein Rab-6A

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes1. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion2. RAB6A acts as a regulator of COPI-independent retrograde transport from the Golgi apparatus towards the endoplasmic reticulum (ER)3. Has a low GTPase activity4. Recruits VPS13B to the Golgi membrane5. Plays a role in neuron projection development (Probable).

AlphaFold DB , UniProt , Accession P20340, Species HUMAN (Homo sapiens, Human), Gene RAB6A, Length 208 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.7Very low52Low247 Ų247127 Ų127100%1.21778%0.776SS**  092.20-72.2172.717400107.8
2S41.4Very low55Low123 Ų123127 Ų12786%0.8675%0.751SS**  trans-97.8103.9176.7420000108.1G4S2-G4 PolarHBondContact O-N 2.76Å; S2-G4 VanDerWaalsContact O-N 3.11Å
3T41.1Very low57.9Low141 Ų141127.4 Ų127.487%0.86574%0.738SS**  trans-64.3103.816646.40000107.7G5T3-G5 VanDerWaalsContact C-N 3.27Å; T3-G5 PolarHBondContact O-N 3.14Å
4G38.7Very low60.5Low79 Ų79118.9 Ų118.981%0.81469%0.688SS**  trans-65.193166.300000107.9S2 D6S2-G4 PolarHBondContact O-N 2.76Å; S2-G4 VanDerWaalsContact O-N 3.11Å; G4-D6 PolarHBondContact O-N 3.1Å
5G40.8Very low62.9Low50 Ų50114.5 Ų114.552%0.51566%0.657SS.*  trans-61.9117.6165.800000107T3 F7T3-G5 VanDerWaalsContact C-N 3.27Å; T3-G5 PolarHBondContact O-N 3.14Å; G5-F7 VanDerWaalsContact C-N 3.28Å; G5-F7 VanDerWaalsContact O-CD2 3.24Å; G5-F7 WeakPolarHBondContact O-CD2 3.37Å; G5-F7 PolarHBondContact O-N 2.77Å
6D48.1Very low65.1Low161 Ų161107.4 Ų107.486%0.86162%0.616SS**  trans-56.795.4170.3-164.314.1000107.2G4 G8G4-D6 PolarHBondContact O-N 3.1Å; D6-G8 PolarHBondContact O-N 3.4Å
7F51.7Low67.1Low194 Ų194101.1 Ų101.185%0.85158%0.58SS**  trans-70.478.9173.8-78.1-85.1000106.2G5 N9G5-F7 VanDerWaalsContact C-N 3.28Å; G5-F7 VanDerWaalsContact O-CD2 3.24Å; G5-F7 WeakPolarHBondContact O-CD2 3.37Å; G5-F7 PolarHBondContact O-N 2.77Å; F7-N9 PolarHBondContact O-N 3.36Å; F7-N9 VanDerWaalsContact O-N 3.08Å
8G55.1Low68.8Low57 Ų5795.4 Ų95.459%0.58855%0.548SS*.  trans-47122.6172.600000108D6 P10D6-G8 PolarHBondContact O-N 3.4Å; G8-P10 VanDerWaalsContact O-N 3.15Å
9N59.2Low70.4Confident155 Ų15590.4 Ų90.483%0.82952%0.519SS*.  trans-43.3123.9-173.5-105.9-36.2000110.1F7 L11F7-N9 PolarHBondContact O-N 3.36Å; F7-N9 VanDerWaalsContact O-N 3.08Å; N9-L11 PolarHBondContact O-N 2.85Å; N9-L11 VanDerWaalsContact O-N 3.11Å
10P73.3Confident71.7Confident112 Ų11285.9 Ų85.973%0.72749%0.493SS*.PPolyproline II helixtrans-58.9123.5-17419.4-29.6000109.9G8 R12G8-P10 VanDerWaalsContact O-N 3.15Å; P10-R12 PolarHBondContact O-N 3.47Å
11L80.5Confident73Confident78 Ų7883.2 Ų83.241%0.40848%0.476SS..PPolyproline II helixtrans-50.8124.7178.7-71.3170.9000110N9 K13 T61N9-L11 PolarHBondContact O-N 2.85Å; N9-L11 VanDerWaalsContact O-N 3.11Å; L11-K13 PolarHBondContact O-N 3.32Å; L11-T61 HydrophobicContact CD2-CG2 3.64Å; L11-T61 WeakPolarHBondContact CD2-O 3.48Å
12R88.5Confident75.6Confident127 Ų12776.2 Ų76.248%0.47944%0.44SS..PPolyproline II helixtrans-59.8127.5176-67.7-172.584.8-161.13.8109.1P10 F14 R63 P175P10-R12 PolarHBondContact O-N 3.47Å; R12-F14 HydrophobicContact CB-CE2 3.9Å; R12-F14 HydrophobicContact CB-CZ 4.31Å; R12-R63 PolarHBondContact O-N 2.85Å; R12-P175 PolarHBondContact NH1-O 2.92Å
13K92.3Very high78.1Confident132 Ų13272.7 Ų72.757%0.57442%0.415SS*.EExtended strand (participates in β ladder)trans-101.7133.1-178.7-61.7174.8-173.3170.80109.2L11 R63L11-K13 PolarHBondContact O-N 3.32Å; K13-R63 VanDerWaalsContact CA-O 3.31Å; K13-R63 WeakPolarHBondContact CA-O 3.46Å; K13-R63 HydrophobicContact CG-CB 4.26Å
14F95.1Very high80.9Confident9 Ų966 Ų664%0.03937%0.374CS..EExtended strand (participates in β ladder)trans-125.7127.3175.4-64.2-80.2000109.8R12 L16 V62 R63 L64 Q65 T87 L174R12-F14 HydrophobicContact CB-CE2 3.9Å; R12-F14 HydrophobicContact CB-CZ 4.31Å; F14-L16 HydrophobicContact CB-CD1 4.31Å; F14-V62 HydrophobicContact CD2-CB 4.15Å; F14-V62 HydrophobicContact CD2-CG1 4.28Å; F14-V62 HydrophobicContact CE2-CB 4.23Å; F14-V62 HydrophobicContact CE2-CG1 3.86Å; F14-R63 PolarHBondContact N-O 3.39Å; F14-L64 HydrophobicContact CB-CD2 4.25Å; F14-Q65 PolarHBondContact O-N 3.47Å; F14-T87 HydrophobicContact CD1-CG2 4.16Å; F14-L174 HydrophobicContact CB-CD1 4.05Å; F14-L174 HydrophobicContact CB-CD2 4.16Å; F14-L174 HydrophobicContact CD1-CB 4.41Å; F14-L174 HydrophobicContact CD1-CD1 4.09Å; F14-L174 HydrophobicContact CD1-CD2 3.62Å; F14-L174 HydrophobicContact CD1-CG 4.25Å; F14-L174 HydrophobicContact CD2-CD1 3.65Å; F14-L174 HydrophobicContact CE1-CB 4.08Å; F14-L174 HydrophobicContact CE1-CD1 4.42Å; F14-L174 HydrophobicContact CE1-CD2 4.1Å; F14-L174 HydrophobicContact CE1-CG 4.42Å; F14-L174 HydrophobicContact CE2-CD1 4.02Å; F14-L174 HydrophobicContact CG-CD1 3.66Å; F14-L174 HydrophobicContact CG-CD2 3.91Å; F14-L174 HydrophobicContact CG-CG 4.31Å; F14-L174 HydrophobicContact CZ-CB 4.13Å; F14-L174 HydrophobicContact CZ-CD1 4.37Å
15K96.4Very high83.7Confident53 Ų5362.7 Ų62.723%0.2334%0.341CS..EExtended strand (participates in β ladder)trans-92.4123.9179.5-73.7174.5173.1-178.90109.5Q65 D85 T87 V88K15-Q65 CarbonylContact C-O 3.58Å; K15-Q65 WeakPolarHBondContact CA-O 3.32Å; K15-Q65 HydrophobicContact CG-CB 3.99Å; K15-D85 HydrophobicContact CD-CB 4.04Å; K15-D85 WeakPolarHBondContact CD-O 3.11Å; K15-D85 IonicContact NZ-OD2 2.71Å; K15-D85 PolarHBondContact NZ-OD2 3.19Å; K15-T87 PolarHBondContact O-N 3.24Å; K15-V88 PolarHBondContact O-N 3.25Å; K15-V88 VanDerWaalsContact O-N 3.15Å
16L98Very high86.4Confident0 Ų060.8 Ų60.80%032%0.318CS..EExtended strand (participates in β ladder)trans-114.4124.1175.5-76.959.9000107.4F14 F18 L64 Q65 L66 W67 V88 F167 V170F14-L16 HydrophobicContact CB-CD1 4.31Å; L16-F18 HydrophobicContact CB-CE2 4.16Å; L16-L64 HydrophobicContact CD1-CD2 4.03Å; L16-L64 HydrophobicContact CD2-CD1 4.37Å; L16-Q65 PolarHBondContact N-O 3.23Å; L16-L66 HydrophobicContact CB-CD2 3.99Å; L16-L66 HydrophobicContact CD2-CD2 3.73Å; L16-L66 HydrophobicContact CG-CD2 4.36Å; L16-W67 PolarHBondContact O-N 3.4Å; L16-V88 WeakPolarHBondContact CA-O 3.47Å; L16-V88 HydrophobicContact CD1-CB 4.22Å; L16-V88 HydrophobicContact CD1-CG2 4.17Å; L16-V88 HydrophobicContact CG-CB 3.84Å; L16-V88 HydrophobicContact CG-CG1 4.18Å; L16-V88 HydrophobicContact CG-CG2 4.25Å; L16-F167 HydrophobicContact CD2-CD1 4.12Å; L16-F167 HydrophobicContact CD2-CE1 4.02Å; L16-V170 HydrophobicContact CD2-CG1 3.9Å; L16-V170 HydrophobicContact CG-CG1 4.25Å
17V98Very high88.7Confident0 Ų055.3 Ų55.30%029%0.291CS..EExtended strand (participates in β ladder)trans-104.6132.2171.1640000110.2L19 W67 T69 I83 S86 V88 A89 V90V17-L19 HydrophobicContact CG1-CD1 4.31Å; V17-L19 HydrophobicContact CG1-CG 4.3Å; V17-L19 HydrophobicContact CG2-CD2 3.8Å; V17-L19 HydrophobicContact CG2-CG 4.15Å; V17-W67 HydrophobicContact CB-CB 4.38Å; V17-W67 HydrophobicContact CG2-CB 4.29Å; V17-T69 HydrophobicContact CG2-CG2 3.64Å; V17-I83 HydrophobicContact CG1-CG1 4.38Å; V17-S86 WeakPolarHBondContact CB-OG 3.47Å; V17-V88 PolarHBondContact N-O 2.95Å; V17-A89 HydrophobicContact CG1-CB 4.09Å; V17-V90 PolarHBondContact O-N 3.3Å
18F98.6Very high90.9Very high0 Ų047.7 Ų47.70%026%0.262CS..EExtended strand (participates in β ladder)trans-99.2120.6176.5-75.2-107.8000109.2L16 K26 I30 L66 W67 T69 V90 V92 F167L16-F18 HydrophobicContact CB-CE2 4.16Å; F18-K26 HydrophobicContact CB-CB 4.17Å; F18-K26 HydrophobicContact CB-CD 4.3Å; F18-K26 HydrophobicContact CB-CG 4.48Å; F18-I30 HydrophobicContact CB-CD1 4.14Å; F18-I30 HydrophobicContact CD1-CD1 4.17Å; F18-I30 HydrophobicContact CD1-CG1 4.05Å; F18-I30 HydrophobicContact CD2-CD1 3.66Å; F18-I30 HydrophobicContact CD2-CG1 3.96Å; F18-I30 HydrophobicContact CE1-CG1 4Å; F18-I30 HydrophobicContact CE2-CD1 4.12Å; F18-I30 HydrophobicContact CE2-CG1 3.93Å; F18-I30 HydrophobicContact CG-CD1 3.72Å; F18-I30 HydrophobicContact CG-CG1 4.04Å; F18-I30 HydrophobicContact CZ-CG1 3.96Å; F18-L66 HydrophobicContact CE2-CB 4.5Å; F18-L66 HydrophobicContact CE2-CD2 4.21Å; F18-W67 PolarHBondContact N-O 2.92Å; F18-T69 WeakPolarHBondContact O-CB 3.24Å; F18-T69 WeakPolarHBondContact O-CG2 3.45Å; F18-T69 PolarHBondContact O-N 3.21Å; F18-T69 PolarHBondContact O-OG1 3.2Å; F18-V90 CarbonylContact C-O 3.5Å; F18-V90 WeakPolarHBondContact CA-O 3.42Å; F18-V90 HydrophobicContact CD1-CB 3.89Å; F18-V90 HydrophobicContact CD1-CG1 3.89Å; F18-V90 HydrophobicContact CE1-CB 3.91Å; F18-V90 HydrophobicContact CE1-CG1 3.73Å; F18-V90 HydrophobicContact CE1-CG2 4.15Å; F18-V90 HydrophobicContact CE2-CG2 4.27Å; F18-V90 HydrophobicContact CG-CB 4.21Å; F18-V90 HydrophobicContact CZ-CB 4.22Å; F18-V90 HydrophobicContact CZ-CG1 4.38Å; F18-V90 HydrophobicContact CZ-CG2 3.98Å; F18-V92 HydrophobicContact CD1-CG2 4.36Å; F18-F167 HydrophobicContact CE1-CZ 4.29Å; F18-F167 HydrophobicContact CE2-CE1 4.42Å; F18-F167 HydrophobicContact CE2-CZ 4.46Å; F18-F167 AromaticContact CZ-CE1 3.81Å; F18-F167 HydrophobicContact CZ-CE1 3.81Å; F18-F167 AromaticContact CZ-CZ 3.56Å; F18-F167 HydrophobicContact CZ-CZ 3.56Å
19L98.3Very high93Very high0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-123.6162-175.3-58.8174.5000110.8V17 K26 T69 I79 I83 A89 V90 V91 V92 W107 V111V17-L19 HydrophobicContact CG1-CD1 4.31Å; V17-L19 HydrophobicContact CG1-CG 4.3Å; V17-L19 HydrophobicContact CG2-CD2 3.8Å; V17-L19 HydrophobicContact CG2-CG 4.15Å; L19-K26 VanDerWaalsContact C-CD 3.41Å; L19-K26 WeakPolarHBondContact O-CD 3.5Å; L19-T69 HydrophobicContact CD2-CG2 3.98Å; L19-I79 HydrophobicContact CD2-CG2 3.47Å; L19-I79 VanDerWaalsContact CD2-CG2 3.47Å; L19-I83 HydrophobicContact CD1-CD1 3.84Å; L19-I83 HydrophobicContact CD1-CG1 4.06Å; L19-I83 HydrophobicContact CD2-CD1 4.48Å; L19-I83 HydrophobicContact CD2-CG1 4.48Å; L19-A89 HydrophobicContact CD1-CB 4.44Å; L19-V90 PolarHBondContact N-O 2.81Å; L19-V91 HydrophobicContact CB-CG2 4.4Å; L19-V92 PolarHBondContact O-N 3.41Å; L19-W107 HydrophobicContact CB-CD2 4.35Å; L19-W107 HydrophobicContact CB-CE3 4.07Å; L19-W107 HydrophobicContact CD2-CE3 4.34Å; L19-W107 HydrophobicContact CD2-CZ3 4.21Å; L19-V111 HydrophobicContact CD1-CG2 3.29Å
20G98.1Very high94.8Very high0 Ų037.7 Ų37.70%020%0.195CC..  trans135.2168.7-177.400000112.1K26 G71 W107G20-K26 PolarHBondContact O-NZ 2.97Å; G20-G71 WeakPolarHBondContact O-CA 3.27Å; G20-W107 WeakPolarHBondContact O-CZ2 3.23Å
21E97.8Very high96Very high29 Ų2934 Ų3414%0.13617%0.17CC..SBendtrans-60.4167.2-179.7-65.4-59.111400112.8V24 K26 R76 Q103 W107E21-V24 HydrophobicContact CB-CG1 3.97Å; E21-V24 VanDerWaalsContact O-CG2 3.27Å; E21-V24 WeakPolarHBondContact O-CG2 3.37Å; E21-K26 PolarHBondContact O-NZ 3.03Å; E21-R76 IonicContact OE1-CZ 2.76Å; E21-R76 IonicContact OE1-NH2 3.85Å; E21-R76 PolarHBondContact OE1-NH2 2.82Å; E21-Q103 HydrophobicContact CG-CB 3.78Å; E21-Q103 HydrophobicContact CG-CG 4Å; E21-W107 PolarHBondContact OE1-NE1 2.84Å
22Q95.9Very high96.8Very high101 Ų10132.2 Ų32.247%0.47216%0.158SC..THydrogen-bonded Turntrans-60.7152.4171.965.2178.7-0.100111.1V24 G71Q22-V24 PolarHBondContact O-N 3.4Å; Q22-G71 PolarHBondContact N-O 3.07Å
23S95.7Very high97.2Very high48 Ų4827.4 Ų27.434%0.33614%0.141SC..THydrogen-bonded Turntrans63.13.4175.977.90000117.7G25 K127S23-G25 PolarHBondContact O-N 3.08Å; S23-K127 WeakPolarHBondContact O-CE 3.42Å; S23-K127 PolarHBondContact O-NZ 3.32Å
24V97.9Very high97.3Very high0 Ų022.3 Ų22.30%012%0.119CC..SBendtrans-70.3-14.8176.9-56.40000113.9E21 Q22 K26 V92 D94 N126E21-V24 HydrophobicContact CB-CG1 3.97Å; E21-V24 VanDerWaalsContact O-CG2 3.27Å; E21-V24 WeakPolarHBondContact O-CG2 3.37Å; Q22-V24 PolarHBondContact O-N 3.4Å; V24-K26 HydrophobicContact CG2-CD 4.37Å; V24-K26 HydrophobicContact CG2-CG 3.72Å; V24-V92 HydrophobicContact CB-CG1 4.26Å; V24-V92 HydrophobicContact CG2-CB 3.87Å; V24-V92 HydrophobicContact CG2-CG1 3.87Å; V24-D94 HydrophobicContact CB-CB 4.39Å; V24-D94 HydrophobicContact CG1-CB 4.31Å; V24-N126 PolarHBondContact O-ND2 3.11Å
25G97.8Very high97.3Very high11 Ų1128.3 Ų28.311%0.11314%0.142CC..SBendtrans9927.3174.300000115.9S23 S28 L29S23-G25 PolarHBondContact O-N 3.08Å; G25-S28 PolarHBondContact O-N 3.15Å; G25-L29 WeakPolarHBondContact O-CG 3.41Å; G25-L29 PolarHBondContact O-N 3.31Å
26K97.9Very high97.3Very high9 Ų930.6 Ų30.64%0.03916%0.157CC..Hα-helixtrans-54.4-57.6174.5-58.5-172.7-62.3-820112.1F18 L19 G20 E21 V24 S28 L29 I30 D68 T69 V92F18-K26 HydrophobicContact CB-CB 4.17Å; F18-K26 HydrophobicContact CB-CD 4.3Å; F18-K26 HydrophobicContact CB-CG 4.48Å; L19-K26 VanDerWaalsContact C-CD 3.41Å; L19-K26 WeakPolarHBondContact O-CD 3.5Å; G20-K26 PolarHBondContact O-NZ 2.97Å; E21-K26 PolarHBondContact O-NZ 3.03Å; V24-K26 HydrophobicContact CG2-CD 4.37Å; V24-K26 HydrophobicContact CG2-CG 3.72Å; K26-S28 VanDerWaalsContact C-N 3.3Å; K26-S28 PolarHBondContact O-N 2.81Å; K26-L29 WeakPolarHBondContact O-CB 3.24Å; K26-L29 PolarHBondContact O-N 3.3Å; K26-L29 VanDerWaalsContact O-N 3.16Å; K26-I30 WeakPolarHBondContact O-CG1 3.16Å; K26-I30 PolarHBondContact O-N 3.14Å; K26-D68 WeakPolarHBondContact CB-OD1 3.46Å; K26-T69 WeakPolarHBondContact CE-O 3.42Å; K26-V92 HydrophobicContact CG-CB 4.09Å; K26-V92 HydrophobicContact CG-CG2 4.07Å
27T97.3Very high97.2Very high47 Ų4733 Ų3329%0.28817%0.174SC..Hα-helixtrans-54.8-46.5174.2-43.80000111.2L29 I30 T31 T45 D68T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 2.91Å; T27-I30 PolarHBondContact O-N 3.05Å; T27-I30 VanDerWaalsContact O-N 3.16Å; T27-T31 WeakPolarHBondContact O-CB 3.19Å; T27-T31 PolarHBondContact O-N 3.24Å; T27-T31 PolarHBondContact O-OG1 2.67Å; T27-T45 PolarHBondContact OG1-OG1 2.96Å; T27-D68 WeakPolarHBondContact CA-OD2 3.43Å; T27-D68 VanDerWaalsContact CB-OD2 3.22Å; T27-D68 WeakPolarHBondContact CB-OD2 3.36Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.25Å; T27-D68 PolarHBondContact N-OD1 2.82Å; T27-D68 PolarHBondContact OG1-OD2 2.77Å
28S98Very high97.1Very high34 Ų3435.9 Ų35.924%0.23819%0.187CC..Hα-helixtrans-62-37.9179.9-490000113.2G25 K26 R32G25-S28 PolarHBondContact O-N 3.15Å; K26-S28 VanDerWaalsContact C-N 3.3Å; K26-S28 PolarHBondContact O-N 2.81Å; S28-R32 WeakPolarHBondContact O-CB 3.27Å; S28-R32 PolarHBondContact O-N 2.82Å
29L98.5Very high96.7Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-65.6-43.6174.7-75.9169.7000111.4G25 K26 T27 F33 V92 V124 N126 T155 A157 V163G25-L29 WeakPolarHBondContact O-CG 3.41Å; G25-L29 PolarHBondContact O-N 3.31Å; K26-L29 WeakPolarHBondContact O-CB 3.24Å; K26-L29 PolarHBondContact O-N 3.3Å; K26-L29 VanDerWaalsContact O-N 3.16Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 2.91Å; L29-F33 WeakPolarHBondContact O-CB 3.44Å; L29-F33 PolarHBondContact O-N 3.5Å; L29-V92 HydrophobicContact CD1-CG1 3.89Å; L29-V92 HydrophobicContact CD1-CG2 4.08Å; L29-V124 HydrophobicContact CD1-CG1 4.15Å; L29-N126 HydrophobicContact CD1-CB 4.36Å; L29-T155 HydrophobicContact CD2-CG2 4.42Å; L29-T155 WeakPolarHBondContact CD2-OG1 3.19Å; L29-A157 HydrophobicContact CD2-CB 3.91Å; L29-A157 HydrophobicContact CG-CB 4.13Å; L29-V163 HydrophobicContact CD2-CG2 3.77Å
30I97.7Very high96.3Very high2 Ų246.5 Ų46.51%0.0124%0.244CC..Hα-helixtrans-63.2-52176.7-65.2167.8000109.7F18 K26 T27 R32 F33 M34 L51 L66 D68F18-I30 HydrophobicContact CB-CD1 4.14Å; F18-I30 HydrophobicContact CD1-CD1 4.17Å; F18-I30 HydrophobicContact CD1-CG1 4.05Å; F18-I30 HydrophobicContact CD2-CD1 3.66Å; F18-I30 HydrophobicContact CD2-CG1 3.96Å; F18-I30 HydrophobicContact CE1-CG1 4Å; F18-I30 HydrophobicContact CE2-CD1 4.12Å; F18-I30 HydrophobicContact CE2-CG1 3.93Å; F18-I30 HydrophobicContact CG-CD1 3.72Å; F18-I30 HydrophobicContact CG-CG1 4.04Å; F18-I30 HydrophobicContact CZ-CG1 3.96Å; K26-I30 WeakPolarHBondContact O-CG1 3.16Å; K26-I30 PolarHBondContact O-N 3.14Å; T27-I30 PolarHBondContact O-N 3.05Å; T27-I30 VanDerWaalsContact O-N 3.16Å; I30-R32 VanDerWaalsContact C-N 3.34Å; I30-R32 PolarHBondContact O-N 3.4Å; I30-F33 PolarHBondContact O-N 2.86Å; I30-F33 VanDerWaalsContact O-N 3.1Å; I30-M34 HydrophobicContact CG2-CG 3.9Å; I30-M34 WeakPolarHBondContact O-CB 3.16Å; I30-M34 WeakPolarHBondContact O-CG 3.38Å; I30-M34 PolarHBondContact O-N 2.99Å; I30-L51 HydrophobicContact CG2-CB 4.46Å; I30-L51 HydrophobicContact CG2-CD1 3.58Å; I30-L66 HydrophobicContact CG2-CB 4.42Å; I30-L66 HydrophobicContact CG2-CD1 3.89Å; I30-D68 HydrophobicContact CD1-CB 3.48Å; I30-D68 VanDerWaalsContact CD1-CB 3.48Å
31T96.7Very high95.9Very high34 Ų3450.9 Ų50.921%0.20927%0.27CS..Hα-helixtrans-56.4-45.7177.9-61.20000111.7T27 F33 M34 Y35T27-T31 WeakPolarHBondContact O-CB 3.19Å; T27-T31 PolarHBondContact O-N 3.24Å; T27-T31 PolarHBondContact O-OG1 2.67Å; T31-F33 VanDerWaalsContact C-N 3.34Å; T31-F33 PolarHBondContact O-N 3.11Å; T31-M34 PolarHBondContact O-N 3.42Å; T31-Y35 HydrophobicContact CG2-CD2 3.93Å; T31-Y35 PolarHBondContact O-N 3.27Å
32R97.7Very high95.4Very high40 Ų4056 Ų5615%0.15129%0.289CS..Hα-helixtrans-60.7-42.3176174.557.671.4-170.5-0.8111.8S28 I30 D36 S37 F38 A157 K158 V163S28-R32 WeakPolarHBondContact O-CB 3.27Å; S28-R32 PolarHBondContact O-N 2.82Å; I30-R32 VanDerWaalsContact C-N 3.34Å; I30-R32 PolarHBondContact O-N 3.4Å; R32-D36 WeakPolarHBondContact CD-OD1 3.4Å; R32-D36 IonicContact CZ-OD1 3.93Å; R32-D36 PolarHBondContact NH1-O 2.84Å; R32-D36 IonicContact NH1-OD1 3.55Å; R32-D36 PolarHBondContact NH1-OD1 2.86Å; R32-D36 WeakPolarHBondContact O-CA 3.46Å; R32-D36 PolarHBondContact O-N 3.38Å; R32-S37 VanDerWaalsContact CA-O 3.3Å; R32-S37 WeakPolarHBondContact CA-O 3.37Å; R32-S37 PolarHBondContact N-O 3.09Å; R32-F38 VanDerWaalsContact NH2-CB 3.3Å; R32-A157 PolarHBondContact NE-O 2.63Å; R32-K158 PolarHBondContact NH2-O 3.4Å; R32-V163 HydrophobicContact CB-CG1 4.31Å; R32-V163 HydrophobicContact CG-CB 4.03Å; R32-V163 HydrophobicContact CG-CG1 3.92Å; R32-V163 HydrophobicContact CG-CG2 3.82Å
33F97.3Very high95.1Very high27 Ų2758.1 Ų58.112%0.11830%0.299CS..Hα-helixtrans-69.6-39.9176.9174.9-112.4000113.1L29 I30 T31 K53 M55 L64 L66 V163 F167L29-F33 WeakPolarHBondContact O-CB 3.44Å; L29-F33 PolarHBondContact O-N 3.5Å; I30-F33 PolarHBondContact O-N 2.86Å; I30-F33 VanDerWaalsContact O-N 3.1Å; T31-F33 VanDerWaalsContact C-N 3.34Å; T31-F33 PolarHBondContact O-N 3.11Å; F33-K53 HydrophobicContact CD1-CD 4.28Å; F33-K53 HydrophobicContact CE1-CB 4.35Å; F33-K53 HydrophobicContact CE1-CD 3.84Å; F33-K53 HydrophobicContact CE1-CG 4.36Å; F33-K53 HydrophobicContact CZ-CD 4.19Å; F33-K53 PolarHBondContact O-NZ 2.98Å; F33-M55 HydrophobicContact CZ-SD 4.45Å; F33-L64 HydrophobicContact CE1-CD1 4.18Å; F33-L64 HydrophobicContact CZ-CD1 4.19Å; F33-L66 HydrophobicContact CD1-CD1 3.98Å; F33-L66 HydrophobicContact CE1-CD1 4.28Å; F33-V163 HydrophobicContact CB-CG1 3.92Å; F33-F167 HydrophobicContact CB-CD2 3.79Å; F33-F167 HydrophobicContact CB-CE2 3.29Å; F33-F167 HydrophobicContact CB-CZ 3.75Å; F33-F167 AromaticContact CD1-CD1 3.89Å; F33-F167 HydrophobicContact CD1-CD1 3.89Å; F33-F167 AromaticContact CD1-CD2 3.96Å; F33-F167 HydrophobicContact CD1-CD2 3.96Å; F33-F167 AromaticContact CD1-CE1 3.64Å; F33-F167 HydrophobicContact CD1-CE1 3.64Å; F33-F167 AromaticContact CD1-CE2 3.78Å; F33-F167 HydrophobicContact CD1-CE2 3.78Å; F33-F167 HydrophobicContact CD1-CG 4.03Å; F33-F167 AromaticContact CD1-CZ 3.58Å; F33-F167 HydrophobicContact CD1-CZ 3.58Å; F33-F167 HydrophobicContact CD2-CB 4.05Å; F33-F167 HydrophobicContact CD2-CD1 4.3Å; F33-F167 AromaticContact CD2-CD2 3.27Å; F33-F167 HydrophobicContact CD2-CD2 3.27Å; F33-F167 AromaticContact CD2-CE2 3.74Å; F33-F167 HydrophobicContact CD2-CE2 3.74Å; F33-F167 AromaticContact CD2-CG 3.61Å; F33-F167 HydrophobicContact CD2-CG 3.61Å; F33-F167 HydrophobicContact CD2-CZ 4.37Å; F33-F167 AromaticContact CE1-CD1 3.71Å; F33-F167 HydrophobicContact CE1-CD1 3.71Å; F33-F167 HydrophobicContact CE1-CD2 4.36Å; F33-F167 AromaticContact CE1-CE1 3.85Å; F33-F167 HydrophobicContact CE1-CE1 3.85Å; F33-F167 AromaticContact CE1-CG 3.98Å; F33-F167 HydrophobicContact CE1-CG 3.98Å; F33-F167 HydrophobicContact CE1-CZ 4.25Å; F33-F167 HydrophobicContact CE2-CB 3.61Å; F33-F167 HydrophobicContact CE2-CD1 4.15Å; F33-F167 AromaticContact CE2-CD2 3.76Å; F33-F167 HydrophobicContact CE2-CD2 3.76Å; F33-F167 HydrophobicContact CE2-CE2 4.5Å; F33-F167 AromaticContact CE2-CG 3.56Å; F33-F167 HydrophobicContact CE2-CG 3.56Å; F33-F167 HydrophobicContact CG-CD1 4.17Å; F33-F167 AromaticContact CG-CD2 3.39Å; F33-F167 HydrophobicContact CG-CD2 3.39Å; F33-F167 HydrophobicContact CG-CE1 4.06Å; F33-F167 AromaticContact CG-CE2 3.31Å; F33-F167 HydrophobicContact CG-CE2 3.31Å; F33-F167 AromaticContact CG-CG 3.84Å; F33-F167 HydrophobicContact CG-CG 3.84Å; F33-F167 AromaticContact CG-CZ 3.64Å; F33-F167 HydrophobicContact CG-CZ 3.64Å; F33-F167 HydrophobicContact CZ-CB 3.93Å; F33-F167 AromaticContact CZ-CD1 3.85Å; F33-F167 HydrophobicContact CZ-CD1 3.85Å; F33-F167 HydrophobicContact CZ-CD2 4.27Å; F33-F167 HydrophobicContact CZ-CE1 4.43Å; F33-F167 AromaticContact CZ-CG 3.75Å; F33-F167 HydrophobicContact CZ-CG 3.75Å
34M95.4Very high94.9Very high25 Ų2557.8 Ų57.812%0.12330%0.3CS..Hα-helixtrans-72.1-47-175.7-70.9-61.9-61.400111.7I30 T31 L51 K53 L66I30-M34 HydrophobicContact CG2-CG 3.9Å; I30-M34 WeakPolarHBondContact O-CB 3.16Å; I30-M34 WeakPolarHBondContact O-CG 3.38Å; I30-M34 PolarHBondContact O-N 2.99Å; T31-M34 PolarHBondContact O-N 3.42Å; M34-L51 HydrophobicContact CE-CB 4.18Å; M34-L51 HydrophobicContact CG-CB 4.5Å; M34-L51 HydrophobicContact CG-CD1 4.22Å; M34-L51 HydrophobicContact SD-CB 4.43Å; M34-K53 HydrophobicContact CE-CB 3.85Å; M34-K53 HydrophobicContact CE-CD 4.26Å; M34-K53 PolarHBondContact O-NZ 2.89Å; M34-K53 HydrophobicContact SD-CB 3.49Å; M34-K53 WeakPolarHBondContact SD-CB 3.45Å; M34-K53 HydrophobicContact SD-CD 3.67Å; M34-K53 HydrophobicContact SD-CG 4.21Å; M34-L66 HydrophobicContact CG-CD1 4.12Å; M34-L66 HydrophobicContact SD-CD1 3.67Å
35Y95.4Very high94.3Very high134 Ų13459.2 Ų59.253%0.52531%0.308SS..Hα-helixtrans-123.5-1.8-164.6-50.2-64.3000114.2T31 S37 L51T31-Y35 HydrophobicContact CG2-CD2 3.93Å; T31-Y35 PolarHBondContact O-N 3.27Å; Y35-S37 PolarHBondContact O-N 3.26Å; Y35-L51 HydrophobicContact CE2-CD1 4.43Å; Y35-L51 VanDerWaalsContact OH-CD2 3.31Å; Y35-L51 WeakPolarHBondContact OH-CD2 3.44Å
36D95.8Very high93.8Very high101 Ų10164.8 Ų64.854%0.5433%0.334SS..SBendtrans50.641-172.3-154.97.7000113.4R32R32-D36 WeakPolarHBondContact CD-OD1 3.4Å; R32-D36 IonicContact CZ-OD1 3.93Å; R32-D36 PolarHBondContact NH1-O 2.84Å; R32-D36 IonicContact NH1-OD1 3.55Å; R32-D36 PolarHBondContact NH1-OD1 2.86Å; R32-D36 WeakPolarHBondContact O-CA 3.46Å; R32-D36 PolarHBondContact O-N 3.38Å
37S95.5Very high93.5Very high51 Ų5164.9 Ų64.936%0.35734%0.338SS..  trans-131.4163.3179.4680000111.8R32 Y35R32-S37 VanDerWaalsContact CA-O 3.3Å; R32-S37 WeakPolarHBondContact CA-O 3.37Å; R32-S37 PolarHBondContact N-O 3.09Å; Y35-S37 PolarHBondContact O-N 3.26Å
38F95.2Very high93.3Very high61 Ų6164.3 Ų64.327%0.26833%0.333SS..  trans-141129173.5177.5-93000109R32 N40 A157 K158R32-F38 VanDerWaalsContact NH2-CB 3.3Å; F38-N40 WeakPolarHBondContact CE1-OD1 3.17Å; F38-A157 HydrophobicContact CD2-CB 4.23Å; F38-A157 HydrophobicContact CE2-CB 4.3Å; F38-K158 HydrophobicContact CD1-CB 4.26Å; F38-K158 HydrophobicContact CD1-CG 3.89Å; F38-K158 HydrophobicContact CD2-CB 4.12Å; F38-K158 HydrophobicContact CE1-CB 4.08Å; F38-K158 HydrophobicContact CE1-CD 4.22Å; F38-K158 HydrophobicContact CE1-CG 3.77Å; F38-K158 HydrophobicContact CE2-CB 3.93Å; F38-K158 HydrophobicContact CG-CB 4.28Å; F38-K158 HydrophobicContact CG-CG 4.33Å; F38-K158 HydrophobicContact CZ-CB 3.92Å; F38-K158 HydrophobicContact CZ-CG 4.11Å
39D91.8Very high93.1Very high95 Ų9566.8 Ų66.851%0.50834%0.343SS..  trans-91.2128.1172.6-167-12.2000109.6T41D39-T41 VanDerWaalsContact C-N 3.27Å; D39-T41 WeakPolarHBondContact OD1-CB 3.32Å; D39-T41 PolarHBondContact OD1-N 3.12Å
40N89.9Confident93Very high128 Ų12870.7 Ų70.768%0.68436%0.36SS*.SBendtrans-78.2-16176.2-69.3-67000112.3F38F38-N40 WeakPolarHBondContact CE1-OD1 3.17Å
41T89.3Confident92.9Very high92 Ų9272.3 Ų72.356%0.56437%0.368SS*.SBendtrans-88114.9178-57.50000109.1D39 Q43D39-T41 VanDerWaalsContact C-N 3.27Å; D39-T41 WeakPolarHBondContact OD1-CB 3.32Å; D39-T41 PolarHBondContact OD1-N 3.12Å; T41-Q43 HydrophobicContact CG2-CG 4.49Å; T41-Q43 PolarHBondContact O-N 2.89Å
42Y87.1Confident92.8Very high135 Ų13572.1 Ų72.153%0.52937%0.369SS..  trans-71.4122.6175175.2-109.5000110.5A44Y42-A44 HydrophobicContact CE1-CB 4.18Å
43Q88.8Confident92.6Very high147 Ų14773.5 Ų73.569%0.68738%0.376SS*.  trans-120126.9167.9-63.9-170-15.900108.8T41 T45T41-Q43 HydrophobicContact CG2-CG 4.49Å; T41-Q43 PolarHBondContact O-N 2.89Å; Q43-T45 PolarHBondContact O-N 3.26Å
44A91.2Very high92.5Very high41 Ų4174.5 Ų74.534%0.33938%0.384SS..  trans-71.8123.7178.500000109.9Y42 I46Y42-A44 HydrophobicContact CE1-CB 4.18Å; A44-I46 PolarHBondContact O-N 3.44Å
45T86.3Confident92.2Very high29 Ų2974.3 Ų74.318%0.17838%0.383CS..  trans-59.5132.7172.3-37.80000109.8T27 Q43 A70T27-T45 PolarHBondContact OG1-OG1 2.96Å; Q43-T45 PolarHBondContact O-N 3.26Å; T45-A70 WeakPolarHBondContact O-CB 2.76Å
46I87.8Confident91.9Very high129 Ų12976.3 Ų76.366%0.66239%0.391SS*.  trans-106.4124.5177.8-67.1175.8000107.6A44 I48 F75A44-I46 PolarHBondContact O-N 3.44Å; I46-I48 PolarHBondContact O-N 2.62Å; I46-F75 HydrophobicContact CB-CZ 4.29Å; I46-F75 HydrophobicContact CG2-CE1 4.13Å; I46-F75 HydrophobicContact CG2-CE2 4.42Å; I46-F75 HydrophobicContact CG2-CZ 3.71Å
47G91.5Very high91.3Very high11 Ų1173.5 Ų73.511%0.11338%0.376CS..SBendtrans64.8-123.8-178.400000112.3A70G47-A70 WeakPolarHBondContact O-CB 3.45Å; G47-A70 PolarHBondContact O-N 3.35Å
48I92.7Very high90.6Very high35 Ų3581.1 Ų81.118%0.17941%0.406CS..EExtended strand (participates in β ladder)trans-140132.9-176.7-63.2174000108.4I46 W67 D68 T69 L78 Y82I46-I48 PolarHBondContact O-N 2.62Å; I48-W67 HydrophobicContact CG2-CE3 3.86Å; I48-D68 CarbonylContact C-O 3.58Å; I48-D68 VanDerWaalsContact CA-O 3.25Å; I48-D68 WeakPolarHBondContact CA-O 3.33Å; I48-D68 WeakPolarHBondContact CG2-O 3.34Å; I48-T69 HydrophobicContact CD1-CG2 4.41Å; I48-T69 HydrophobicContact CG1-CG2 4.28Å; I48-L78 HydrophobicContact CD1-CB 3.77Å; I48-Y82 HydrophobicContact CD1-CD1 4.44Å; I48-Y82 HydrophobicContact CD1-CD2 3.22Å; I48-Y82 HydrophobicContact CD1-CE1 4.39Å; I48-Y82 HydrophobicContact CD1-CE2 3.17Å; I48-Y82 HydrophobicContact CD1-CG 3.88Å; I48-Y82 HydrophobicContact CG1-CE2 4.41Å; I48-Y82 HydrophobicContact CG2-CD1 4.17Å; I48-Y82 HydrophobicContact CG2-CE1 3.97Å
49D94.6Very high89.9Confident85 Ų8581.7 Ų81.746%0.45541%0.412SS..EExtended strand (participates in β ladder)trans-110.2156.7176.6-165.214.9000111.1W67 D68D49-W67 WeakPolarHBondContact O-CA 3.45Å; D49-D68 HydrophobicContact CB-CB 4.27Å; D49-D68 PolarHBondContact N-O 3.42Å; D49-D68 PolarHBondContact O-N 3.13Å
50F95.3Very high89.5Confident83 Ų8379.2 Ų79.236%0.36440%0.395SS..EExtended strand (participates in β ladder)trans-129.9123.2-174.9171.8-104.6000111.8Q65 L66 W67F50-Q65 HydrophobicContact CE2-CB 3.79Å; F50-Q65 HydrophobicContact CE2-CG 3.82Å; F50-Q65 HydrophobicContact CZ-CB 4.48Å; F50-Q65 HydrophobicContact CZ-CG 4.03Å; F50-L66 WeakPolarHBondContact CA-O 3.44Å; F50-W67 HydrophobicContact CB-CE3 3.93Å; F50-W67 HydrophobicContact CB-CH2 4.28Å; F50-W67 HydrophobicContact CB-CZ3 3.69Å; F50-W67 AromaticContact CD2-CD2 3.95Å; F50-W67 HydrophobicContact CD2-CD2 3.95Å; F50-W67 AromaticContact CD2-CE2 3.81Å; F50-W67 AromaticContact CD2-CE3 3.99Å; F50-W67 HydrophobicContact CD2-CE3 3.99Å; F50-W67 AromaticContact CD2-CH2 3.87Å; F50-W67 HydrophobicContact CD2-CH2 3.87Å; F50-W67 AromaticContact CD2-CZ2 3.8Å; F50-W67 HydrophobicContact CD2-CZ2 3.8Å; F50-W67 AromaticContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CE2-CZ2 4.17Å; F50-W67 HydrophobicContact CG-CE3 4.39Å; F50-W67 HydrophobicContact CG-CH2 4.2Å; F50-W67 HydrophobicContact CG-CZ3 4.08Å
51L95.8Very high89.4Confident35 Ų3575.5 Ų75.518%0.18338%0.377CS..EExtended strand (participates in β ladder)trans-127.6149.1173.4-69.8170.1000110.3I30 M34 Y35 L66I30-L51 HydrophobicContact CG2-CB 4.46Å; I30-L51 HydrophobicContact CG2-CD1 3.58Å; M34-L51 HydrophobicContact CE-CB 4.18Å; M34-L51 HydrophobicContact CG-CB 4.5Å; M34-L51 HydrophobicContact CG-CD1 4.22Å; M34-L51 HydrophobicContact SD-CB 4.43Å; Y35-L51 HydrophobicContact CE2-CD1 4.43Å; Y35-L51 VanDerWaalsContact OH-CD2 3.31Å; Y35-L51 WeakPolarHBondContact OH-CD2 3.44Å; L51-L66 HydrophobicContact CB-CB 4.45Å; L51-L66 PolarHBondContact N-O 3.17Å; L51-L66 PolarHBondContact O-N 3.46Å
52S95.6Very high89.5Confident31 Ų3171.2 Ų71.222%0.21735%0.351CS..EExtended strand (participates in β ladder)trans-134.6134.5177.3-173.70000111.5R63 L64S52-R63 WeakPolarHBondContact OG-CG 3.31Å; S52-R63 PolarHBondContact OG-NE 3.07Å; S52-L64 WeakPolarHBondContact CA-O 3.46Å; S52-L64 WeakPolarHBondContact CB-O 3.48Å; S52-L64 PolarHBondContact OG-O 3.18Å
53K93.5Very high89.8Confident68 Ų6869.7 Ų69.730%0.29634%0.344SS..EExtended strand (participates in β ladder)trans-135133.6179.1-175.3157.3-175161.50111F33 M34 L64F33-K53 HydrophobicContact CD1-CD 4.28Å; F33-K53 HydrophobicContact CE1-CB 4.35Å; F33-K53 HydrophobicContact CE1-CD 3.84Å; F33-K53 HydrophobicContact CE1-CG 4.36Å; F33-K53 HydrophobicContact CZ-CD 4.19Å; F33-K53 PolarHBondContact O-NZ 2.98Å; M34-K53 HydrophobicContact CE-CB 3.85Å; M34-K53 HydrophobicContact CE-CD 4.26Å; M34-K53 PolarHBondContact O-NZ 2.89Å; M34-K53 HydrophobicContact SD-CB 3.49Å; M34-K53 WeakPolarHBondContact SD-CB 3.45Å; M34-K53 HydrophobicContact SD-CD 3.67Å; M34-K53 HydrophobicContact SD-CG 4.21Å; K53-L64 PolarHBondContact N-O 3.39Å; K53-L64 PolarHBondContact O-N 2.9Å
54T93.3Very high90.1Very high48 Ų4862.7 Ų62.729%0.29431%0.311SS..EExtended strand (participates in β ladder)trans-78.3127.9167.7-58.40000108.4Y56 T61 V62T54-Y56 HydrophobicContact CG2-CE1 4.3Å; T54-Y56 HydrophobicContact CG2-CE2 4.19Å; T54-T61 HydrophobicContact CG2-CG2 3.2Å; T54-V62 WeakPolarHBondContact CA-O 3.43Å
55M90.7Very high90.4Very high21 Ų2162.4 Ų62.410%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-115.7127.5177-177.9169.755.700108.7F33 L57 V62 L64 A171F33-M55 HydrophobicContact CZ-SD 4.45Å; M55-L57 HydrophobicContact CE-CD2 4.14Å; M55-L57 HydrophobicContact CG-CD2 4.08Å; M55-L57 HydrophobicContact CG-CG 4.44Å; M55-L57 HydrophobicContact SD-CD2 4.15Å; M55-V62 HydrophobicContact CB-CG2 4.08Å; M55-V62 HydrophobicContact CE-CG2 3.64Å; M55-V62 PolarHBondContact N-O 3.48Å; M55-V62 PolarHBondContact O-N 2.92Å; M55-L64 HydrophobicContact CE-CD1 3.63Å; M55-L64 HydrophobicContact CE-CD2 3.98Å; M55-L64 HydrophobicContact CE-CG 3.95Å; M55-L64 HydrophobicContact SD-CD1 4.17Å; M55-A171 HydrophobicContact CE-CB 3.48Å; M55-A171 VanDerWaalsContact CE-CB 3.48Å; M55-A171 HydrophobicContact SD-CB 4.37Å
56Y88.6Confident90.9Very high177 Ų17761 Ų6169%0.69430%0.295SS*.EExtended strand (participates in β ladder)trans-94.1114.6176.5-56.2-87.6000107.8T54 T61T54-Y56 HydrophobicContact CG2-CE1 4.3Å; T54-Y56 HydrophobicContact CG2-CE2 4.19Å; Y56-T61 HydrophobicContact CD1-CG2 3.9Å; Y56-T61 WeakPolarHBondContact CD1-OG1 3.39Å; Y56-T61 HydrophobicContact CE1-CG2 3.88Å
57L84Confident91.4Very high41 Ų4157.1 Ų57.122%0.21527%0.272CS..  trans-101.9166.6171.4-55.5169.8000108M55 D59 R60 V62 A171 M177M55-L57 HydrophobicContact CE-CD2 4.14Å; M55-L57 HydrophobicContact CG-CD2 4.08Å; M55-L57 HydrophobicContact CG-CG 4.44Å; M55-L57 HydrophobicContact SD-CD2 4.15Å; L57-D59 PolarHBondContact O-N 3.29Å; L57-R60 CarbonylContact C-O 3.59Å; L57-R60 WeakPolarHBondContact CA-O 3.17Å; L57-R60 HydrophobicContact CB-CG 4.39Å; L57-R60 WeakPolarHBondContact CB-O 3.32Å; L57-R60 HydrophobicContact CD1-CG 4.15Å; L57-R60 PolarHBondContact N-O 3.4Å; L57-R60 PolarHBondContact O-N 3.38Å; L57-V62 HydrophobicContact CD1-CG1 4.33Å; L57-V62 HydrophobicContact CD1-CG2 4.08Å; L57-A171 HydrophobicContact CD1-CB 4.13Å; L57-A171 HydrophobicContact CD2-CB 3.94Å; L57-M177 HydrophobicContact CD1-CE 3.19Å
58E80.2Confident91.6Very high211 Ų21156.9 Ų56.999%0.98627%0.268SS*.SBendtrans-58.2-38.1-174.9-64.7179.2178.400112.6
59D79.7Confident91.7Very high73 Ų7355.2 Ų55.239%0.3926%0.259SS..SBendtrans-101.8-17.5-174.366.8-40.9000113.8L57 T180L57-D59 PolarHBondContact O-N 3.29Å; D59-T180 HydrophobicContact CB-CG2 4.46Å; D59-T180 WeakPolarHBondContact CB-OG1 3.48Å
60R83.3Confident91.6Very high44 Ų4451.2 Ų51.217%0.16624%0.238CC..  trans-161.6161.6-172.368.1-166.9-167173.24.3114.7L57 V62 G176 M177L57-R60 CarbonylContact C-O 3.59Å; L57-R60 WeakPolarHBondContact CA-O 3.17Å; L57-R60 HydrophobicContact CB-CG 4.39Å; L57-R60 WeakPolarHBondContact CB-O 3.32Å; L57-R60 HydrophobicContact CD1-CG 4.15Å; L57-R60 PolarHBondContact N-O 3.4Å; L57-R60 PolarHBondContact O-N 3.38Å; R60-V62 HydrophobicContact CG-CG1 4.03Å; R60-G176 VanDerWaalsContact NH1-C 3.28Å; R60-G176 PolarHBondContact NH1-O 3.29Å; R60-M177 VanDerWaalsContact CZ-CG 3.47Å
61T88.7Confident91Very high49 Ų4947.6 Ų47.630%0.30122%0.224SC..EExtended strand (participates in β ladder)trans-104.2127.4168.7-57.50000109.6L11 T54 Y56L11-T61 HydrophobicContact CD2-CG2 3.64Å; L11-T61 WeakPolarHBondContact CD2-O 3.48Å; T54-T61 HydrophobicContact CG2-CG2 3.2Å; Y56-T61 HydrophobicContact CD1-CG2 3.9Å; Y56-T61 WeakPolarHBondContact CD1-OG1 3.39Å; Y56-T61 HydrophobicContact CE1-CG2 3.88Å
62V90.8Very high90.6Very high2 Ų247.9 Ų47.91%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-121.1149.1177.2-60.70000110.8F14 T54 M55 L57 R60 L64F14-V62 HydrophobicContact CD2-CB 4.15Å; F14-V62 HydrophobicContact CD2-CG1 4.28Å; F14-V62 HydrophobicContact CE2-CB 4.23Å; F14-V62 HydrophobicContact CE2-CG1 3.86Å; T54-V62 WeakPolarHBondContact CA-O 3.43Å; M55-V62 HydrophobicContact CB-CG2 4.08Å; M55-V62 HydrophobicContact CE-CG2 3.64Å; M55-V62 PolarHBondContact N-O 3.48Å; M55-V62 PolarHBondContact O-N 2.92Å; L57-V62 HydrophobicContact CD1-CG1 4.33Å; L57-V62 HydrophobicContact CD1-CG2 4.08Å; R60-V62 HydrophobicContact CG-CG1 4.03Å; V62-L64 HydrophobicContact CG2-CD2 4.24Å
63R93.6Very high90.1Very high103 Ų10353.9 Ų53.939%0.38925%0.249SC..EExtended strand (participates in β ladder)trans-103.8113.9173.4-171.6167.3-176.5168.52.3109.9R12 K13 F14 S52R12-R63 PolarHBondContact O-N 2.85Å; K13-R63 VanDerWaalsContact CA-O 3.31Å; K13-R63 WeakPolarHBondContact CA-O 3.46Å; K13-R63 HydrophobicContact CG-CB 4.26Å; F14-R63 PolarHBondContact N-O 3.39Å; S52-R63 WeakPolarHBondContact OG-CG 3.31Å; S52-R63 PolarHBondContact OG-NE 3.07Å
64L95.2Very high90Very high1 Ų159 Ų591%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-84.4137172.7-57-172.9000110F14 L16 F33 S52 K53 M55 V62 L66 F167 L174F14-L64 HydrophobicContact CB-CD2 4.25Å; L16-L64 HydrophobicContact CD1-CD2 4.03Å; L16-L64 HydrophobicContact CD2-CD1 4.37Å; F33-L64 HydrophobicContact CE1-CD1 4.18Å; F33-L64 HydrophobicContact CZ-CD1 4.19Å; S52-L64 WeakPolarHBondContact CA-O 3.46Å; S52-L64 WeakPolarHBondContact CB-O 3.48Å; S52-L64 PolarHBondContact OG-O 3.18Å; K53-L64 PolarHBondContact N-O 3.39Å; K53-L64 PolarHBondContact O-N 2.9Å; M55-L64 HydrophobicContact CE-CD1 3.63Å; M55-L64 HydrophobicContact CE-CD2 3.98Å; M55-L64 HydrophobicContact CE-CG 3.95Å; M55-L64 HydrophobicContact SD-CD1 4.17Å; V62-L64 HydrophobicContact CG2-CD2 4.24Å; L64-L66 HydrophobicContact CB-CD2 3.97Å; L64-F167 HydrophobicContact CD1-CD1 3.98Å; L64-L174 HydrophobicContact CD2-CD1 4.49Å
65Q97Very high89.9Confident34 Ų3457.9 Ų57.916%0.15926%0.257CS..EExtended strand (participates in β ladder)trans-115.1107.1172.6-77.4-170.6-33.700107.2F14 K15 L16 F50F14-Q65 PolarHBondContact O-N 3.47Å; K15-Q65 CarbonylContact C-O 3.58Å; K15-Q65 WeakPolarHBondContact CA-O 3.32Å; K15-Q65 HydrophobicContact CG-CB 3.99Å; L16-Q65 PolarHBondContact N-O 3.23Å; F50-Q65 HydrophobicContact CE2-CB 3.79Å; F50-Q65 HydrophobicContact CE2-CG 3.82Å; F50-Q65 HydrophobicContact CZ-CB 4.48Å; F50-Q65 HydrophobicContact CZ-CG 4.03Å
66L97.7Very high89.9Confident1 Ų159.2 Ų59.21%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-99.9116.3-173.7-47.8-178.3000108.5L16 F18 I30 F33 M34 F50 L51 L64 F167L16-L66 HydrophobicContact CB-CD2 3.99Å; L16-L66 HydrophobicContact CD2-CD2 3.73Å; L16-L66 HydrophobicContact CG-CD2 4.36Å; F18-L66 HydrophobicContact CE2-CB 4.5Å; F18-L66 HydrophobicContact CE2-CD2 4.21Å; I30-L66 HydrophobicContact CG2-CB 4.42Å; I30-L66 HydrophobicContact CG2-CD1 3.89Å; F33-L66 HydrophobicContact CD1-CD1 3.98Å; F33-L66 HydrophobicContact CE1-CD1 4.28Å; M34-L66 HydrophobicContact CG-CD1 4.12Å; M34-L66 HydrophobicContact SD-CD1 3.67Å; F50-L66 WeakPolarHBondContact CA-O 3.44Å; L51-L66 HydrophobicContact CB-CB 4.45Å; L51-L66 PolarHBondContact N-O 3.17Å; L51-L66 PolarHBondContact O-N 3.46Å; L64-L66 HydrophobicContact CB-CD2 3.97Å; L66-F167 HydrophobicContact CD1-CE1 4.28Å; L66-F167 HydrophobicContact CD2-CE1 3.89Å
67W97.3Very high90.1Very high47 Ų4755.8 Ų55.818%0.17826%0.264CS..EExtended strand (participates in β ladder)trans-101.8105.3175.2-64.6100000108.8L16 V17 F18 I48 D49 F50 Y82L16-W67 PolarHBondContact O-N 3.4Å; V17-W67 HydrophobicContact CB-CB 4.38Å; V17-W67 HydrophobicContact CG2-CB 4.29Å; F18-W67 PolarHBondContact N-O 2.92Å; I48-W67 HydrophobicContact CG2-CE3 3.86Å; D49-W67 WeakPolarHBondContact O-CA 3.45Å; F50-W67 HydrophobicContact CB-CE3 3.93Å; F50-W67 HydrophobicContact CB-CH2 4.28Å; F50-W67 HydrophobicContact CB-CZ3 3.69Å; F50-W67 AromaticContact CD2-CD2 3.95Å; F50-W67 HydrophobicContact CD2-CD2 3.95Å; F50-W67 AromaticContact CD2-CE2 3.81Å; F50-W67 AromaticContact CD2-CE3 3.99Å; F50-W67 HydrophobicContact CD2-CE3 3.99Å; F50-W67 AromaticContact CD2-CH2 3.87Å; F50-W67 HydrophobicContact CD2-CH2 3.87Å; F50-W67 AromaticContact CD2-CZ2 3.8Å; F50-W67 HydrophobicContact CD2-CZ2 3.8Å; F50-W67 AromaticContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CE2-CZ2 4.17Å; F50-W67 HydrophobicContact CG-CE3 4.39Å; F50-W67 HydrophobicContact CG-CH2 4.2Å; F50-W67 HydrophobicContact CG-CZ3 4.08Å; W67-Y82 AromaticContact CD2-CD1 3.64Å; W67-Y82 HydrophobicContact CD2-CD1 3.64Å; W67-Y82 HydrophobicContact CD2-CE1 4.01Å; W67-Y82 AromaticContact CE3-CD1 3.51Å; W67-Y82 HydrophobicContact CE3-CD1 3.51Å; W67-Y82 AromaticContact CE3-CE1 3.42Å; W67-Y82 HydrophobicContact CE3-CE1 3.42Å; W67-Y82 VanDerWaalsContact CE3-CE1 3.42Å; W67-Y82 HydrophobicContact CG-CD1 4.14Å; W67-Y82 HydrophobicContact CH2-CD1 4.31Å; W67-Y82 AromaticContact CH2-CE1 3.85Å; W67-Y82 HydrophobicContact CH2-CE1 3.85Å; W67-Y82 HydrophobicContact CZ2-CD1 4.44Å; W67-Y82 HydrophobicContact CZ2-CE1 4.4Å; W67-Y82 AromaticContact CZ3-CD1 3.89Å; W67-Y82 HydrophobicContact CZ3-CD1 3.89Å; W67-Y82 AromaticContact CZ3-CE1 3.34Å; W67-Y82 HydrophobicContact CZ3-CE1 3.34Å
68D96.9Very high90.5Very high6 Ų657.5 Ų57.53%0.03227%0.272CS..EExtended strand (participates in β ladder)trans-85121.9175.1-170.222.7000109.5K26 T27 I30 I48 D49K26-D68 WeakPolarHBondContact CB-OD1 3.46Å; T27-D68 WeakPolarHBondContact CA-OD2 3.43Å; T27-D68 VanDerWaalsContact CB-OD2 3.22Å; T27-D68 WeakPolarHBondContact CB-OD2 3.36Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.25Å; T27-D68 PolarHBondContact N-OD1 2.82Å; T27-D68 PolarHBondContact OG1-OD2 2.77Å; I30-D68 HydrophobicContact CD1-CB 3.48Å; I30-D68 VanDerWaalsContact CD1-CB 3.48Å; I48-D68 CarbonylContact C-O 3.58Å; I48-D68 VanDerWaalsContact CA-O 3.25Å; I48-D68 WeakPolarHBondContact CA-O 3.33Å; I48-D68 WeakPolarHBondContact CG2-O 3.34Å; D49-D68 HydrophobicContact CB-CB 4.27Å; D49-D68 PolarHBondContact N-O 3.42Å; D49-D68 PolarHBondContact O-N 3.13Å
69T95Very high91.2Very high0 Ų047.7 Ų47.70%023%0.227CC..EExtended strand (participates in β ladder)trans-102.4143.9-179.370.20000111.8V17 F18 L19 K26 I48 G71 I79V17-T69 HydrophobicContact CG2-CG2 3.64Å; F18-T69 WeakPolarHBondContact O-CB 3.24Å; F18-T69 WeakPolarHBondContact O-CG2 3.45Å; F18-T69 PolarHBondContact O-N 3.21Å; F18-T69 PolarHBondContact O-OG1 3.2Å; L19-T69 HydrophobicContact CD2-CG2 3.98Å; K26-T69 WeakPolarHBondContact CE-O 3.42Å; I48-T69 HydrophobicContact CD1-CG2 4.41Å; I48-T69 HydrophobicContact CG1-CG2 4.28Å; T69-G71 PolarHBondContact O-N 3.12Å; T69-I79 HydrophobicContact CG2-CG1 4.37Å
70A91.3Very high91.9Very high1 Ų146.2 Ų46.21%0.00822%0.221CC..PPolyproline II helixtrans-64.2132.4166.700000110.5T45 G47 Q72 F75T45-A70 WeakPolarHBondContact O-CB 2.76Å; G47-A70 WeakPolarHBondContact O-CB 3.45Å; G47-A70 PolarHBondContact O-N 3.35Å; A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 2.95Å; A70-F75 HydrophobicContact CB-CB 3.9Å; A70-F75 HydrophobicContact CB-CD2 3.46Å; A70-F75 VanDerWaalsContact CB-CD2 3.46Å; A70-F75 HydrophobicContact CB-CE2 4.3Å; A70-F75 HydrophobicContact CB-CG 3.96Å
71G82Confident92.4Very high7 Ų746.7 Ų46.77%0.07223%0.231CC..  trans-830.6174.100000114.2G20 Q22 T69G20-G71 WeakPolarHBondContact O-CA 3.27Å; Q22-G71 PolarHBondContact N-O 3.07Å; T69-G71 PolarHBondContact O-N 3.12Å
72Q88.4Confident92.7Very high41 Ų4147.4 Ų47.419%0.19223%0.229CC..SBendtrans-80.4137.8179.3-59.9177.754.100110.3A70 R74 F75A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 2.95Å; Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 HydrophobicContact CB-CG 4.06Å; Q72-R74 PolarHBondContact O-N 3.15Å; Q72-F75 HydrophobicContact CB-CD2 3.96Å; Q72-F75 HydrophobicContact CB-CE2 4.37Å; Q72-F75 PolarHBondContact O-N 3.11Å; Q72-F75 VanDerWaalsContact O-N 3.07Å
73E85Confident93Very high156 Ų15647.5 Ų47.573%0.72923%0.229SC*.G310 helixtrans-53.9-41.8-178.4-172.5-168.2-173.600113.3F75 R76E73-F75 PolarHBondContact O-N 3.08Å; E73-R76 VanDerWaalsContact O-CB 3.32Å; E73-R76 WeakPolarHBondContact O-CB 3.31Å; E73-R76 PolarHBondContact O-N 3.12Å
74R91.3Very high93.1Very high175 Ų17548.5 Ų48.566%0.6623%0.233SC*.G310 helixtrans-56.1-17.3179.563.7-178.7-85.2-152.4-1.1115Q72Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 HydrophobicContact CB-CG 4.06Å; Q72-R74 PolarHBondContact O-N 3.15Å
75F92.2Very high92.9Very high25 Ų2552.7 Ų52.711%0.1126%0.255CS..G310 helixtrans-106.4-0.7177.7-59.1-62.1000113.5I46 A70 Q72 E73 S77 L78I46-F75 HydrophobicContact CB-CZ 4.29Å; I46-F75 HydrophobicContact CG2-CE1 4.13Å; I46-F75 HydrophobicContact CG2-CE2 4.42Å; I46-F75 HydrophobicContact CG2-CZ 3.71Å; A70-F75 HydrophobicContact CB-CB 3.9Å; A70-F75 HydrophobicContact CB-CD2 3.46Å; A70-F75 VanDerWaalsContact CB-CD2 3.46Å; A70-F75 HydrophobicContact CB-CE2 4.3Å; A70-F75 HydrophobicContact CB-CG 3.96Å; Q72-F75 HydrophobicContact CB-CD2 3.96Å; Q72-F75 HydrophobicContact CB-CE2 4.37Å; Q72-F75 PolarHBondContact O-N 3.11Å; Q72-F75 VanDerWaalsContact O-N 3.07Å; E73-F75 PolarHBondContact O-N 3.08Å; F75-S77 PolarHBondContact O-N 2.79Å; F75-L78 HydrophobicContact CD1-CD1 4.48Å; F75-L78 WeakPolarHBondContact O-CB 3.47Å; F75-L78 PolarHBondContact O-N 2.9Å; F75-L78 VanDerWaalsContact O-N 3.12Å
76R90.3Very high92.9Very high49 Ų4951 Ų5119%0.18525%0.248CC..G310 helixtrans-60-30.6-175.7-85.6-171.4154120.81113.9E21 E73 L78 I79 P80 W107E21-R76 IonicContact OE1-CZ 2.76Å; E21-R76 IonicContact OE1-NH2 3.85Å; E21-R76 PolarHBondContact OE1-NH2 2.82Å; E73-R76 VanDerWaalsContact O-CB 3.32Å; E73-R76 WeakPolarHBondContact O-CB 3.31Å; E73-R76 PolarHBondContact O-N 3.12Å; R76-L78 PolarHBondContact O-N 2.84Å; R76-L78 VanDerWaalsContact O-N 3.15Å; R76-I79 HydrophobicContact CG-CD1 4.3Å; R76-I79 WeakPolarHBondContact O-CB 3.01Å; R76-I79 PolarHBondContact O-N 2.95Å; R76-I79 VanDerWaalsContact O-N 3.12Å; R76-P80 WeakPolarHBondContact O-CD 3.31Å; R76-W107 HydrophobicContact CG-CH2 4.17Å
77S92.9Very high92.8Very high106 Ų10652.7 Ų52.774%0.74126%0.258SS*.G310 helixtrans-62.5-19.8178.856.30000113.9F75F75-S77 PolarHBondContact O-N 2.79Å
78L92.3Very high92.8Very high76 Ų7650.4 Ų50.440%0.39825%0.249SC..G310 helixtrans-80.4-26.5177.4-59.5175.8000112.7I48 F75 R76 S81 Y82I48-L78 HydrophobicContact CD1-CB 3.77Å; F75-L78 HydrophobicContact CD1-CD1 4.48Å; F75-L78 WeakPolarHBondContact O-CB 3.47Å; F75-L78 PolarHBondContact O-N 2.9Å; F75-L78 VanDerWaalsContact O-N 3.12Å; R76-L78 PolarHBondContact O-N 2.84Å; R76-L78 VanDerWaalsContact O-N 3.15Å; L78-S81 PolarHBondContact O-OG 2.97Å; L78-S81 VanDerWaalsContact O-OG 3.08Å; L78-Y82 WeakPolarHBondContact O-CD2 3.2Å; L78-Y82 WeakPolarHBondContact O-CE2 3.35Å
79I94.3Very high92.8Very high6 Ų650.1 Ų50.13%0.03125%0.248CC..Hα-helixtrans-65.6-42.3-166.5-64.4177.3000114.1L19 T69 R76 S81 Y82 I83 W107L19-I79 HydrophobicContact CD2-CG2 3.47Å; L19-I79 VanDerWaalsContact CD2-CG2 3.47Å; T69-I79 HydrophobicContact CG2-CG1 4.37Å; R76-I79 HydrophobicContact CG-CD1 4.3Å; R76-I79 WeakPolarHBondContact O-CB 3.01Å; R76-I79 PolarHBondContact O-N 2.95Å; R76-I79 VanDerWaalsContact O-N 3.12Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.19Å; I79-S81 VanDerWaalsContact O-N 3.15Å; I79-Y82 PolarHBondContact O-N 3.26Å; I79-I83 HydrophobicContact CG2-CD1 3.61Å; I79-I83 HydrophobicContact CG2-CG1 3.86Å; I79-I83 PolarHBondContact O-N 2.95Å; I79-I83 VanDerWaalsContact O-N 3.14Å; I79-W107 HydrophobicContact CD1-CH2 3.51Å; I79-W107 HydrophobicContact CD1-CZ3 3.54Å; I79-W107 HydrophobicContact CG2-CZ3 4.35Å
80P95.1Very high93Very high41 Ų4150.2 Ų50.227%0.26625%0.248SC..Hα-helixtrans-50-43.6-175.8-34.339.2000114.9R76 Y82 I83 R84 E114R76-P80 WeakPolarHBondContact O-CD 3.31Å; P80-Y82 VanDerWaalsContact C-N 3.29Å; P80-Y82 PolarHBondContact O-N 2.71Å; P80-I83 PolarHBondContact O-N 2.97Å; P80-R84 WeakPolarHBondContact O-CG 3.1Å; P80-R84 PolarHBondContact O-N 3.2Å; P80-E114 HydrophobicContact CB-CG 4.1Å
81S94.1Very high93.4Very high54 Ų5450.1 Ų50.138%0.37825%0.247SC..Hα-helixtrans-63.6-32.5-18054.30000113.4L78 I79L78-S81 PolarHBondContact O-OG 2.97Å; L78-S81 VanDerWaalsContact O-OG 3.08Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.19Å; I79-S81 VanDerWaalsContact O-N 3.15Å
82Y94.8Very high94.2Very high65 Ų6549.8 Ų49.826%0.25524%0.244SC..Hα-helixtrans-80.9-29179.2-64.2-94000112I48 W67 L78 I79 P80 S86I48-Y82 HydrophobicContact CD1-CD1 4.44Å; I48-Y82 HydrophobicContact CD1-CD2 3.22Å; I48-Y82 HydrophobicContact CD1-CE1 4.39Å; I48-Y82 HydrophobicContact CD1-CE2 3.17Å; I48-Y82 HydrophobicContact CD1-CG 3.88Å; I48-Y82 HydrophobicContact CG1-CE2 4.41Å; I48-Y82 HydrophobicContact CG2-CD1 4.17Å; I48-Y82 HydrophobicContact CG2-CE1 3.97Å; W67-Y82 AromaticContact CD2-CD1 3.64Å; W67-Y82 HydrophobicContact CD2-CD1 3.64Å; W67-Y82 HydrophobicContact CD2-CE1 4.01Å; W67-Y82 AromaticContact CE3-CD1 3.51Å; W67-Y82 HydrophobicContact CE3-CD1 3.51Å; W67-Y82 AromaticContact CE3-CE1 3.42Å; W67-Y82 HydrophobicContact CE3-CE1 3.42Å; W67-Y82 VanDerWaalsContact CE3-CE1 3.42Å; W67-Y82 HydrophobicContact CG-CD1 4.14Å; W67-Y82 HydrophobicContact CH2-CD1 4.31Å; W67-Y82 AromaticContact CH2-CE1 3.85Å; W67-Y82 HydrophobicContact CH2-CE1 3.85Å; W67-Y82 HydrophobicContact CZ2-CD1 4.44Å; W67-Y82 HydrophobicContact CZ2-CE1 4.4Å; W67-Y82 AromaticContact CZ3-CD1 3.89Å; W67-Y82 HydrophobicContact CZ3-CD1 3.89Å; W67-Y82 AromaticContact CZ3-CE1 3.34Å; W67-Y82 HydrophobicContact CZ3-CE1 3.34Å; L78-Y82 WeakPolarHBondContact O-CD2 3.2Å; L78-Y82 WeakPolarHBondContact O-CE2 3.35Å; I79-Y82 PolarHBondContact O-N 3.26Å; P80-Y82 VanDerWaalsContact C-N 3.29Å; P80-Y82 PolarHBondContact O-N 2.71Å; Y82-S86 WeakPolarHBondContact O-CB 3.4Å; Y82-S86 PolarHBondContact O-N 2.83Å; Y82-S86 PolarHBondContact O-OG 2.82Å
83I96.3Very high94.7Very high3 Ų347.9 Ų47.92%0.01524%0.235CC..Hα-helixtrans-64-51.1170.1-64.6178.1000109.8V17 L19 I79 P80 D85 S86 V111 E114 R115V17-I83 HydrophobicContact CG1-CG1 4.38Å; L19-I83 HydrophobicContact CD1-CD1 3.84Å; L19-I83 HydrophobicContact CD1-CG1 4.06Å; L19-I83 HydrophobicContact CD2-CD1 4.48Å; L19-I83 HydrophobicContact CD2-CG1 4.48Å; I79-I83 HydrophobicContact CG2-CD1 3.61Å; I79-I83 HydrophobicContact CG2-CG1 3.86Å; I79-I83 PolarHBondContact O-N 2.95Å; I79-I83 VanDerWaalsContact O-N 3.14Å; P80-I83 PolarHBondContact O-N 2.97Å; I83-D85 PolarHBondContact O-N 3.15Å; I83-S86 PolarHBondContact O-N 2.79Å; I83-V111 HydrophobicContact CD1-CG2 4.03Å; I83-V111 HydrophobicContact CG1-CG2 4.49Å; I83-V111 HydrophobicContact CG2-CB 4.38Å; I83-V111 HydrophobicContact CG2-CG1 4.39Å; I83-V111 HydrophobicContact CG2-CG2 4.24Å; I83-E114 HydrophobicContact CB-CB 4.09Å; I83-E114 HydrophobicContact CB-CG 4.49Å; I83-E114 HydrophobicContact CG2-CB 3.62Å; I83-E114 HydrophobicContact CG2-CG 4.4Å; I83-R115 HydrophobicContact CG2-CB 4.38Å; I83-R115 HydrophobicContact CG2-CG 4.06Å; I83-R115 WeakPolarHBondContact O-CG 3.39Å
84R95.2Very high95.3Very high124 Ų12440.7 Ų40.747%0.46820%0.202SC..Hα-helixtrans-53.6-30.6-179.4-74.3-162.7-66.6-107.77.2113.9P80 E114 R115P80-R84 WeakPolarHBondContact O-CG 3.1Å; P80-R84 PolarHBondContact O-N 3.2Å; R84-E114 WeakPolarHBondContact CD-OE2 3.45Å; R84-E114 HydrophobicContact CG-CB 3.94Å; R84-E114 VanDerWaalsContact CG-OE2 3.32Å; R84-E114 WeakPolarHBondContact CG-OE2 3.38Å; R84-E114 IonicContact CZ-OE2 3.64Å; R84-E114 IonicContact NE-OE2 3.58Å; R84-E114 IonicContact NH1-OE2 2.71Å; R84-E114 PolarHBondContact NH1-OE2 3.41Å; R84-R115 WeakPolarHBondContact O-CD 3.26Å; R84-R115 PolarHBondContact O-NE 3.36Å; R84-R115 PolarHBondContact O-NH1 2.84Å; R84-R115 VanDerWaalsContact O-NH1 3.14Å; R84-R115 PolarHBondContact O-NH2 2.83Å
85D91.6Very high95.7Very high89 Ų8932.4 Ų32.448%0.47617%0.17SC..Hα-helixtrans-90.6-13.2-179.5-90.913.5000114.1K15 I83 R115K15-D85 HydrophobicContact CD-CB 4.04Å; K15-D85 WeakPolarHBondContact CD-O 3.11Å; K15-D85 IonicContact NZ-OD2 2.71Å; K15-D85 PolarHBondContact NZ-OD2 3.19Å; I83-D85 PolarHBondContact O-N 3.15Å; D85-R115 PolarHBondContact O-NH2 2.96Å
86S96.1Very high96Very high0 Ų032.4 Ų32.40%017%0.173CC..  trans-88.1140.5-170.6-69.70000112.7V17 Y82 I83 R115V17-S86 WeakPolarHBondContact CB-OG 3.47Å; Y82-S86 WeakPolarHBondContact O-CB 3.4Å; Y82-S86 PolarHBondContact O-N 2.83Å; Y82-S86 PolarHBondContact O-OG 2.82Å; I83-S86 PolarHBondContact O-N 2.79Å; S86-R115 VanDerWaalsContact O-CZ 3.26Å; S86-R115 PolarHBondContact O-NE 2.91Å; S86-R115 PolarHBondContact O-NH2 3.44Å
87T95.5Very high96.4Very high35 Ų3532.7 Ų32.722%0.21518%0.178CC..SBendtrans-83.9-25.6172.5-43.20000110.9F14 K15 I120 L174F14-T87 HydrophobicContact CD1-CG2 4.16Å; K15-T87 PolarHBondContact O-N 3.24Å; T87-I120 PolarHBondContact O-N 3.11Å; T87-I120 VanDerWaalsContact O-N 3.09Å; T87-L174 HydrophobicContact CG2-CD2 4.14Å
88V97.8Very high96.6Very high0 Ų030 Ų300%016%0.156CC..EExtended strand (participates in β ladder)trans-134.5135.4-177.3-179.50000109.3K15 L16 V17 V90 I120 V170 L174K15-V88 PolarHBondContact O-N 3.25Å; K15-V88 VanDerWaalsContact O-N 3.15Å; L16-V88 WeakPolarHBondContact CA-O 3.47Å; L16-V88 HydrophobicContact CD1-CB 4.22Å; L16-V88 HydrophobicContact CD1-CG2 4.17Å; L16-V88 HydrophobicContact CG-CB 3.84Å; L16-V88 HydrophobicContact CG-CG1 4.18Å; L16-V88 HydrophobicContact CG-CG2 4.25Å; V17-V88 PolarHBondContact N-O 2.95Å; V88-V90 HydrophobicContact CG1-CG2 4.12Å; V88-I120 CarbonylContact C-O 3.6Å; V88-I120 VanDerWaalsContact CA-O 3.25Å; V88-I120 WeakPolarHBondContact CA-O 3.15Å; V88-I120 HydrophobicContact CG1-CB 4.5Å; V88-I120 HydrophobicContact CG1-CG2 4.36Å; V88-I120 HydrophobicContact CG2-CB 4.12Å; V88-I120 HydrophobicContact CG2-CD1 4.28Å; V88-I120 HydrophobicContact CG2-CG2 4.48Å; V88-V170 HydrophobicContact CB-CG1 4.29Å; V88-V170 HydrophobicContact CG1-CG1 3.77Å; V88-V170 HydrophobicContact CG1-CG2 4.25Å; V88-V170 HydrophobicContact CG2-CG1 3.78Å; V88-L174 HydrophobicContact CG2-CD2 3.61Å
89A98.3Very high96.9Very high0 Ų030.4 Ų30.40%016%0.159CC..EExtended strand (participates in β ladder)trans-110.3123.1166.400000109.9V17 L19 V111 V119 I120 I121 M122V17-A89 HydrophobicContact CG1-CB 4.09Å; L19-A89 HydrophobicContact CD1-CB 4.44Å; A89-V111 HydrophobicContact CB-CB 4.42Å; A89-V111 HydrophobicContact CB-CG1 3.8Å; A89-V111 HydrophobicContact CB-CG2 3.68Å; A89-V119 HydrophobicContact CB-CG2 4.21Å; A89-I120 PolarHBondContact N-O 2.9Å; A89-I121 WeakPolarHBondContact O-CA 3.37Å; A89-M122 PolarHBondContact O-N 3.32Å
90V98.7Very high97.1Very high1 Ų130.2 Ų30.21%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-102.8106.2173.8-174.90000107.9V17 F18 L19 V88 V92 M122 V124 L166V17-V90 PolarHBondContact O-N 3.3Å; F18-V90 CarbonylContact C-O 3.5Å; F18-V90 WeakPolarHBondContact CA-O 3.42Å; F18-V90 HydrophobicContact CD1-CB 3.89Å; F18-V90 HydrophobicContact CD1-CG1 3.89Å; F18-V90 HydrophobicContact CE1-CB 3.91Å; F18-V90 HydrophobicContact CE1-CG1 3.73Å; F18-V90 HydrophobicContact CE1-CG2 4.15Å; F18-V90 HydrophobicContact CE2-CG2 4.27Å; F18-V90 HydrophobicContact CG-CB 4.21Å; F18-V90 HydrophobicContact CZ-CB 4.22Å; F18-V90 HydrophobicContact CZ-CG1 4.38Å; F18-V90 HydrophobicContact CZ-CG2 3.98Å; L19-V90 PolarHBondContact N-O 2.81Å; V88-V90 HydrophobicContact CG1-CG2 4.12Å; V90-V92 HydrophobicContact CG1-CG2 4.01Å; V90-M122 CarbonylContact C-O 3.5Å; V90-M122 WeakPolarHBondContact CA-O 3.41Å; V90-V124 HydrophobicContact CG1-CG2 3.57Å; V90-L166 HydrophobicContact CG1-CD1 4.47Å
91V98.7Very high97.3Very high0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-98.2114.1-178.2-177.30000108.8L19 T104 W107 I108 I121 M122 L123 V124L19-V91 HydrophobicContact CB-CG2 4.4Å; V91-T104 HydrophobicContact CG1-CG2 3.96Å; V91-W107 HydrophobicContact CG1-CB 3.74Å; V91-W107 HydrophobicContact CG1-CG 4.44Å; V91-W107 HydrophobicContact CG2-CB 4.46Å; V91-I108 HydrophobicContact CB-CG1 4.39Å; V91-I108 HydrophobicContact CG1-CG1 4.36Å; V91-I108 HydrophobicContact CG2-CG1 3.96Å; V91-I121 HydrophobicContact CG2-CG2 4.24Å; V91-M122 PolarHBondContact N-O 2.87Å; V91-L123 HydrophobicContact CG1-CD1 4.41Å; V91-L123 CarbonylContact O-C 3.53Å; V91-L123 WeakPolarHBondContact O-CA 3.25Å; V91-V124 PolarHBondContact O-N 2.98Å
92V98.9Very high97.5Very high0 Ų031.9 Ų31.90%016%0.157CC..EExtended strand (participates in β ladder)trans-108.3135.5-170.2-1700000110.8F18 L19 V24 K26 L29 V90 V124 N126F18-V92 HydrophobicContact CD1-CG2 4.36Å; L19-V92 PolarHBondContact O-N 3.41Å; V24-V92 HydrophobicContact CB-CG1 4.26Å; V24-V92 HydrophobicContact CG2-CB 3.87Å; V24-V92 HydrophobicContact CG2-CG1 3.87Å; K26-V92 HydrophobicContact CG-CB 4.09Å; K26-V92 HydrophobicContact CG-CG2 4.07Å; L29-V92 HydrophobicContact CD1-CG1 3.89Å; L29-V92 HydrophobicContact CD1-CG2 4.08Å; V90-V92 HydrophobicContact CG1-CG2 4.01Å; V92-V124 WeakPolarHBondContact CA-O 3.48Å; V92-V124 HydrophobicContact CG1-CB 4.47Å; V92-V124 HydrophobicContact CG2-CB 4.29Å; V92-N126 HydrophobicContact CG1-CB 3.79Å
93Y98.9Very high97.7Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-125.2164.6166.471.7-85.6000110.9I95 F101 T104 L123 V124 N126 V136 F152Y93-I95 HydrophobicContact CE2-CG2 4Å; Y93-F101 AromaticContact CD1-CD2 3.97Å; Y93-F101 HydrophobicContact CD1-CD2 3.97Å; Y93-F101 HydrophobicContact CD2-CB 3.74Å; Y93-F101 AromaticContact CD2-CD2 3.86Å; Y93-F101 HydrophobicContact CD2-CD2 3.86Å; Y93-F101 HydrophobicContact CD2-CG 4.25Å; Y93-F101 AromaticContact CE1-CD2 3.83Å; Y93-F101 HydrophobicContact CE1-CD2 3.83Å; Y93-F101 HydrophobicContact CE1-CE2 4.24Å; Y93-F101 HydrophobicContact CE2-CB 4.25Å; Y93-F101 AromaticContact CE2-CD2 3.73Å; Y93-F101 HydrophobicContact CE2-CD2 3.73Å; Y93-F101 HydrophobicContact CE2-CG 4.33Å; Y93-F101 HydrophobicContact CG-CB 4.09Å; Y93-F101 AromaticContact CG-CD2 3.98Å; Y93-F101 HydrophobicContact CG-CD2 3.98Å; Y93-F101 AromaticContact CZ-CD2 3.71Å; Y93-T104 HydrophobicContact CD1-CG2 4.13Å; Y93-T104 HydrophobicContact CG-CG2 4.31Å; Y93-L123 HydrophobicContact CD1-CD1 3.9Å; Y93-L123 HydrophobicContact CD1-CG 4.37Å; Y93-L123 HydrophobicContact CE1-CD1 4.13Å; Y93-L123 HydrophobicContact CE1-CD2 4.47Å; Y93-L123 HydrophobicContact CE1-CG 4.1Å; Y93-V124 VanDerWaalsContact CD1-O 3.25Å; Y93-V124 WeakPolarHBondContact CD1-O 3.31Å; Y93-V124 PolarHBondContact N-O 3.25Å; Y93-N126 WeakPolarHBondContact O-CB 3.49Å; Y93-N126 PolarHBondContact O-N 2.86Å; Y93-V136 HydrophobicContact CE2-CB 4.15Å; Y93-V136 HydrophobicContact CE2-CG1 3.91Å; Y93-F152 HydrophobicContact CE1-CE2 4.2Å
94D98.7Very high97.8Very high6 Ų631.3 Ų31.33%0.03216%0.156CC..EExtended strand (participates in β ladder)trans-100.1123.3174.6172.9-5.2000108.9V24 T96 N97 S100 K127V24-D94 HydrophobicContact CB-CB 4.39Å; V24-D94 HydrophobicContact CG1-CB 4.31Å; D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 3.27Å; D94-T96 VanDerWaalsContact O-N 3.08Å; D94-T96 WeakPolarHBondContact OD1-CB 3.22Å; D94-T96 PolarHBondContact OD1-N 2.75Å; D94-T96 PolarHBondContact OD1-OG1 2.8Å; D94-T96 PolarHBondContact OD2-OG1 2.9Å; D94-N97 HydrophobicContact CB-CB 4.05Å; D94-N97 PolarHBondContact O-N 2.99Å; D94-S100 PolarHBondContact N-OG 3.3Å; D94-S100 PolarHBondContact O-OG 2.94Å; D94-K127 HydrophobicContact CB-CD 4.34Å; D94-K127 WeakPolarHBondContact OD2-CD 3.42Å; D94-K127 WeakPolarHBondContact OD2-CE 3.49Å; D94-K127 IonicContact OD2-NZ 2.76Å; D94-K127 PolarHBondContact OD2-NZ 3.11Å
95I98.8Very high97.9Very high0 Ų027.9 Ų27.90%015%0.149CC..THydrogen-bonded Turntrans-62.3-18-177.965.2154.6000113.4Y93 N126 K127 T128 R134 Q135 V136Y93-I95 HydrophobicContact CE2-CG2 4Å; I95-N126 WeakPolarHBondContact CG1-O 3.22Å; I95-N126 WeakPolarHBondContact CG2-O 2.83Å; I95-N126 PolarHBondContact N-O 2.88Å; I95-K127 WeakPolarHBondContact CD1-O 3.44Å; I95-T128 HydrophobicContact CD1-CG2 4.33Å; I95-R134 HydrophobicContact CD1-CB 4.25Å; I95-R134 HydrophobicContact CD1-CG 4.31Å; I95-Q135 PolarHBondContact O-N 3.34Å; I95-V136 PolarHBondContact O-N 2.77Å; I95-V136 VanDerWaalsContact O-N 3.1Å
96T98.6Very high98.2Very high26 Ų2628.3 Ų28.316%0.1615%0.146CC..THydrogen-bonded Turntrans-92.62.5177.772.30000112.9D94 L130 K133 Q135D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 3.27Å; D94-T96 VanDerWaalsContact O-N 3.08Å; D94-T96 WeakPolarHBondContact OD1-CB 3.22Å; D94-T96 PolarHBondContact OD1-N 2.75Å; D94-T96 PolarHBondContact OD1-OG1 2.8Å; D94-T96 PolarHBondContact OD2-OG1 2.9Å; T96-L130 HydrophobicContact CG2-CB 3.59Å; T96-L130 HydrophobicContact CG2-CD1 4.12Å; T96-K133 WeakPolarHBondContact CA-O 3.49Å; T96-K133 WeakPolarHBondContact CB-O 3.27Å; T96-K133 HydrophobicContact CG2-CB 3.85Å; T96-Q135 WeakPolarHBondContact O-CG 3.5Å; T96-Q135 PolarHBondContact O-NE2 3.1Å; T96-Q135 PolarHBondContact O-OE1 3.41Å; T96-Q135 VanDerWaalsContact O-OE1 3.09Å
97N98.4Very high98.2Very high55 Ų5528.4 Ų28.429%0.29415%0.147SC..  trans-135.996.1-175.8-177.4-24000110.9D94 N99 S100 F101D94-N97 HydrophobicContact CB-CB 4.05Å; D94-N97 PolarHBondContact O-N 2.99Å; N97-N99 VanDerWaalsContact C-N 3.26Å; N97-N99 PolarHBondContact O-N 3.5Å; N97-N99 WeakPolarHBondContact OD1-CB 3.48Å; N97-N99 PolarHBondContact OD1-N 3.44Å; N97-N99 VanDerWaalsContact OD1-N 3.12Å; N97-S100 WeakPolarHBondContact O-CB 3.45Å; N97-S100 PolarHBondContact O-N 3.25Å; N97-S100 VanDerWaalsContact O-N 3.08Å; N97-S100 PolarHBondContact O-OG 2.89Å; N97-S100 PolarHBondContact OD1-N 3.45Å; N97-F101 PolarHBondContact O-N 2.76Å
98V98.2Very high98.4Very high48 Ų4826.7 Ų26.729%0.29114%0.137SC..Hα-helixtrans-56.9-37.1179.4172.60000112.6S100 F101 Q102 Q135 V136V98-S100 VanDerWaalsContact C-N 3.32Å; V98-S100 PolarHBondContact O-N 2.89Å; V98-F101 WeakPolarHBondContact O-CB 3.42Å; V98-F101 PolarHBondContact O-N 3.22Å; V98-F101 VanDerWaalsContact O-N 3.11Å; V98-Q102 HydrophobicContact CG1-CG 4.19Å; V98-Q102 WeakPolarHBondContact O-CG 3.34Å; V98-Q102 PolarHBondContact O-N 3.33Å; V98-Q135 HydrophobicContact CG2-CB 3.43Å; V98-Q135 VanDerWaalsContact CG2-CB 3.43Å; V98-Q135 HydrophobicContact CG2-CG 4.47Å; V98-Q135 WeakPolarHBondContact CG2-O 3.41Å; V98-V136 HydrophobicContact CB-CG2 4.49Å; V98-V136 HydrophobicContact CG2-CG2 3.97Å
99N98.4Very high98.3Very high86 Ų8630.1 Ų30.146%0.4616%0.155SC..Hα-helixtrans-61.8-42.1178.5-179.965.8000111N97 F101 Q102 Q103N97-N99 VanDerWaalsContact C-N 3.26Å; N97-N99 PolarHBondContact O-N 3.5Å; N97-N99 WeakPolarHBondContact OD1-CB 3.48Å; N97-N99 PolarHBondContact OD1-N 3.44Å; N97-N99 VanDerWaalsContact OD1-N 3.12Å; N99-F101 PolarHBondContact O-N 2.98Å; N99-Q102 PolarHBondContact O-N 3.42Å; N99-Q103 VanDerWaalsContact O-CG 3.23Å; N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 2.85Å
100S98.5Very high98.2Very high2 Ų232.8 Ų32.81%0.01417%0.169CC..Hα-helixtrans-61.5-34.1176.178.70000112.8D94 N97 V98 T104D94-S100 PolarHBondContact N-OG 3.3Å; D94-S100 PolarHBondContact O-OG 2.94Å; N97-S100 WeakPolarHBondContact O-CB 3.45Å; N97-S100 PolarHBondContact O-N 3.25Å; N97-S100 VanDerWaalsContact O-N 3.08Å; N97-S100 PolarHBondContact O-OG 2.89Å; N97-S100 PolarHBondContact OD1-N 3.45Å; V98-S100 VanDerWaalsContact C-N 3.32Å; V98-S100 PolarHBondContact O-N 2.89Å; S100-T104 WeakPolarHBondContact O-CG2 3.38Å
101F98.8Very high98.2Very high19 Ų1932.8 Ų32.88%0.08317%0.169CC..Hα-helixtrans-71.7-42.1175173.7-109.2000112.4Y93 N97 V98 N99 Q103 T104 V136 E140 K144Y93-F101 AromaticContact CD1-CD2 3.97Å; Y93-F101 HydrophobicContact CD1-CD2 3.97Å; Y93-F101 HydrophobicContact CD2-CB 3.74Å; Y93-F101 AromaticContact CD2-CD2 3.86Å; Y93-F101 HydrophobicContact CD2-CD2 3.86Å; Y93-F101 HydrophobicContact CD2-CG 4.25Å; Y93-F101 AromaticContact CE1-CD2 3.83Å; Y93-F101 HydrophobicContact CE1-CD2 3.83Å; Y93-F101 HydrophobicContact CE1-CE2 4.24Å; Y93-F101 HydrophobicContact CE2-CB 4.25Å; Y93-F101 AromaticContact CE2-CD2 3.73Å; Y93-F101 HydrophobicContact CE2-CD2 3.73Å; Y93-F101 HydrophobicContact CE2-CG 4.33Å; Y93-F101 HydrophobicContact CG-CB 4.09Å; Y93-F101 AromaticContact CG-CD2 3.98Å; Y93-F101 HydrophobicContact CG-CD2 3.98Å; Y93-F101 AromaticContact CZ-CD2 3.71Å; N97-F101 PolarHBondContact O-N 2.76Å; V98-F101 WeakPolarHBondContact O-CB 3.42Å; V98-F101 PolarHBondContact O-N 3.22Å; V98-F101 VanDerWaalsContact O-N 3.11Å; N99-F101 PolarHBondContact O-N 2.98Å; F101-Q103 VanDerWaalsContact C-N 3.31Å; F101-Q103 PolarHBondContact O-N 2.87Å; F101-T104 PolarHBondContact O-N 2.87Å; F101-T104 PolarHBondContact O-OG1 2.76Å; F101-V136 HydrophobicContact CB-CG1 4.38Å; F101-V136 HydrophobicContact CB-CG2 3.72Å; F101-V136 HydrophobicContact CD1-CG1 3.91Å; F101-V136 HydrophobicContact CD1-CG2 4.14Å; F101-V136 HydrophobicContact CD2-CG1 3.86Å; F101-V136 HydrophobicContact CE1-CG1 4.07Å; F101-V136 HydrophobicContact CE2-CG1 4.02Å; F101-V136 HydrophobicContact CG-CG1 3.78Å; F101-V136 HydrophobicContact CG-CG2 3.96Å; F101-V136 HydrophobicContact CZ-CG1 4.11Å; F101-E140 HydrophobicContact CE1-CB 4.47Å; F101-E140 HydrophobicContact CZ-CB 4.27Å; F101-K144 HydrophobicContact CD2-CD 4.29Å; F101-K144 HydrophobicContact CE1-CD 4.06Å; F101-K144 HydrophobicContact CE2-CB 4.14Å; F101-K144 HydrophobicContact CE2-CD 3.53Å; F101-K144 HydrophobicContact CE2-CG 4.42Å; F101-K144 HydrophobicContact CZ-CB 3.79Å; F101-K144 HydrophobicContact CZ-CD 3.4Å; F101-K144 HydrophobicContact CZ-CG 4.22Å; F101-K144 PolarHBondContact O-NZ 3.12Å
102Q98.4Very high98.1Very high111 Ų11137 Ų3752%0.51919%0.185SC..Hα-helixtrans-59.8-44.5176.3-71.8173.1-9.800111V98 N99 T104 T105 K144V98-Q102 HydrophobicContact CG1-CG 4.19Å; V98-Q102 WeakPolarHBondContact O-CG 3.34Å; V98-Q102 PolarHBondContact O-N 3.33Å; N99-Q102 PolarHBondContact O-N 3.42Å; Q102-T104 PolarHBondContact O-N 2.96Å; Q102-T104 VanDerWaalsContact O-N 3.11Å; Q102-T105 PolarHBondContact O-N 2.97Å; Q102-K144 PolarHBondContact O-NZ 2.71Å
103Q98.1Very high98Very high55 Ų5542.4 Ų42.426%0.25722%0.218SC..THydrogen-bonded Turntrans-64.1-16-179.6-66.7-63.89800114.2E21 N99 F101 T105 K106 W107E21-Q103 HydrophobicContact CG-CB 3.78Å; E21-Q103 HydrophobicContact CG-CG 4Å; N99-Q103 VanDerWaalsContact O-CG 3.23Å; N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 2.85Å; F101-Q103 VanDerWaalsContact C-N 3.31Å; F101-Q103 PolarHBondContact O-N 2.87Å; Q103-T105 PolarHBondContact O-N 2.9Å; Q103-K106 PolarHBondContact O-N 3.42Å; Q103-W107 PolarHBondContact O-N 3.05Å
104T98.5Very high97.9Very high0 Ų045.3 Ų45.30%023%0.232CC..Hα-helixtrans-63.1-26.817864.10000113.2V91 Y93 S100 F101 Q102 W107 I108 L123 K144V91-T104 HydrophobicContact CG1-CG2 3.96Å; Y93-T104 HydrophobicContact CD1-CG2 4.13Å; Y93-T104 HydrophobicContact CG-CG2 4.31Å; S100-T104 WeakPolarHBondContact O-CG2 3.38Å; F101-T104 PolarHBondContact O-N 2.87Å; F101-T104 PolarHBondContact O-OG1 2.76Å; Q102-T104 PolarHBondContact O-N 2.96Å; Q102-T104 VanDerWaalsContact O-N 3.11Å; T104-W107 PolarHBondContact O-N 2.85Å; T104-I108 WeakPolarHBondContact O-CB 3.39Å; T104-I108 VanDerWaalsContact O-CG1 3.24Å; T104-I108 WeakPolarHBondContact O-CG1 3.42Å; T104-I108 PolarHBondContact O-N 2.81Å; T104-L123 HydrophobicContact CG2-CD1 3.8Å; T104-K144 WeakPolarHBondContact OG1-CE 3.47Å; T104-K144 PolarHBondContact OG1-NZ 3.29Å
105T98.2Very high97.7Very high52 Ų5249.3 Ų49.332%0.31925%0.246SC..Hα-helixtrans-60.9-50174.9-53.60000109.9Q102 Q103 W107 I108 D109 K144Q102-T105 PolarHBondContact O-N 2.97Å; Q103-T105 PolarHBondContact O-N 2.9Å; T105-W107 VanDerWaalsContact C-N 3.34Å; T105-W107 PolarHBondContact O-N 2.87Å; T105-I108 PolarHBondContact O-N 3.48Å; T105-I108 VanDerWaalsContact O-N 3.12Å; T105-D109 VanDerWaalsContact O-CG 3.25Å; T105-D109 PolarHBondContact O-N 3.33Å; T105-K144 WeakPolarHBondContact OG1-CE 3.46Å; T105-K144 PolarHBondContact OG1-NZ 2.95Å
106K97.1Very high97.4Very high98 Ų9850.9 Ų50.943%0.42626%0.263SS..Hα-helixtrans-58.1-45.4177.1-179.6178.2177.5175.70111.9Q103 I108 D109 D110Q103-K106 PolarHBondContact O-N 3.42Å; K106-I108 VanDerWaalsContact C-N 3.3Å; K106-I108 PolarHBondContact O-N 2.59Å; K106-D109 PolarHBondContact O-N 3.49Å; K106-D110 VanDerWaalsContact O-CG 3.25Å; K106-D110 PolarHBondContact O-N 2.9Å
107W97.5Very high97Very high2 Ų255.3 Ų55.31%0.00830%0.295CS..Hα-helixtrans-62.1-37.4177.6-73.1112.4000112.9L19 G20 E21 R76 I79 V91 Q103 T104 T105 V111L19-W107 HydrophobicContact CB-CD2 4.35Å; L19-W107 HydrophobicContact CB-CE3 4.07Å; L19-W107 HydrophobicContact CD2-CE3 4.34Å; L19-W107 HydrophobicContact CD2-CZ3 4.21Å; G20-W107 WeakPolarHBondContact O-CZ2 3.23Å; E21-W107 PolarHBondContact OE1-NE1 2.84Å; R76-W107 HydrophobicContact CG-CH2 4.17Å; I79-W107 HydrophobicContact CD1-CH2 3.51Å; I79-W107 HydrophobicContact CD1-CZ3 3.54Å; I79-W107 HydrophobicContact CG2-CZ3 4.35Å; V91-W107 HydrophobicContact CG1-CB 3.74Å; V91-W107 HydrophobicContact CG1-CG 4.44Å; V91-W107 HydrophobicContact CG2-CB 4.46Å; Q103-W107 PolarHBondContact O-N 3.05Å; T104-W107 PolarHBondContact O-N 2.85Å; T105-W107 VanDerWaalsContact C-N 3.34Å; T105-W107 PolarHBondContact O-N 2.87Å; W107-V111 VanDerWaalsContact O-CG2 3.27Å; W107-V111 WeakPolarHBondContact O-CG2 3.46Å; W107-V111 PolarHBondContact O-N 2.82Å; W107-V111 VanDerWaalsContact O-N 3.11Å
108I98.1Very high96.5Very high0 Ų060 Ų600%032%0.32CS..Hα-helixtrans-70.9-38.3177-70.2168.9000110.8V91 T104 T105 K106 V111 R112 I121 L148 V150V91-I108 HydrophobicContact CB-CG1 4.39Å; V91-I108 HydrophobicContact CG1-CG1 4.36Å; V91-I108 HydrophobicContact CG2-CG1 3.96Å; T104-I108 WeakPolarHBondContact O-CB 3.39Å; T104-I108 VanDerWaalsContact O-CG1 3.24Å; T104-I108 WeakPolarHBondContact O-CG1 3.42Å; T104-I108 PolarHBondContact O-N 2.81Å; T105-I108 PolarHBondContact O-N 3.48Å; T105-I108 VanDerWaalsContact O-N 3.12Å; K106-I108 VanDerWaalsContact C-N 3.3Å; K106-I108 PolarHBondContact O-N 2.59Å; I108-V111 WeakPolarHBondContact O-CB 3.45Å; I108-V111 PolarHBondContact O-N 2.95Å; I108-R112 WeakPolarHBondContact O-CG 3.4Å; I108-R112 PolarHBondContact O-N 2.94Å; I108-I121 HydrophobicContact CG1-CG2 4.1Å; I108-I121 HydrophobicContact CG2-CD1 4.1Å; I108-L148 HydrophobicContact CD1-CD1 3.53Å; I108-V150 HydrophobicContact CD1-CG2 4.38Å
109D97.2Very high96.3Very high72 Ų7258.3 Ų58.339%0.38531%0.309SS..Hα-helixtrans-65.9-41.4175.7-65.6-24000111.6T105 K106 V111 R112 T113T105-D109 VanDerWaalsContact O-CG 3.25Å; T105-D109 PolarHBondContact O-N 3.33Å; K106-D109 PolarHBondContact O-N 3.49Å; D109-V111 VanDerWaalsContact C-N 3.29Å; D109-V111 PolarHBondContact O-N 2.85Å; D109-R112 PolarHBondContact O-N 2.84Å; D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 3.48Å; D109-T113 PolarHBondContact O-OG1 3.03Å
110D96.4Very high96.2Very high56 Ų5655.7 Ų55.730%0.29930%0.295SS..Hα-helixtrans-59.1-42.9172.7-69-20.4000110.4K106 T113 E114K106-D110 VanDerWaalsContact O-CG 3.25Å; K106-D110 PolarHBondContact O-N 2.9Å; D110-T113 PolarHBondContact O-N 3.22Å; D110-E114 WeakPolarHBondContact O-CG 3.28Å; D110-E114 PolarHBondContact O-N 3.43Å; D110-E114 VanDerWaalsContact O-N 3.1Å
111V98.1Very high96.2Very high0 Ų056.2 Ų56.20%030%0.297CS..Hα-helixtrans-60.6-47.6176.21690000111.7L19 I83 A89 W107 I108 D109 T113 E114 R115 V119 I121L19-V111 HydrophobicContact CD1-CG2 3.29Å; I83-V111 HydrophobicContact CD1-CG2 4.03Å; I83-V111 HydrophobicContact CG1-CG2 4.49Å; I83-V111 HydrophobicContact CG2-CB 4.38Å; I83-V111 HydrophobicContact CG2-CG1 4.39Å; I83-V111 HydrophobicContact CG2-CG2 4.24Å; A89-V111 HydrophobicContact CB-CB 4.42Å; A89-V111 HydrophobicContact CB-CG1 3.8Å; A89-V111 HydrophobicContact CB-CG2 3.68Å; W107-V111 VanDerWaalsContact O-CG2 3.27Å; W107-V111 WeakPolarHBondContact O-CG2 3.46Å; W107-V111 PolarHBondContact O-N 2.82Å; W107-V111 VanDerWaalsContact O-N 3.11Å; I108-V111 WeakPolarHBondContact O-CB 3.45Å; I108-V111 PolarHBondContact O-N 2.95Å; D109-V111 VanDerWaalsContact C-N 3.29Å; D109-V111 PolarHBondContact O-N 2.85Å; V111-T113 VanDerWaalsContact C-N 3.32Å; V111-T113 PolarHBondContact O-N 3.3Å; V111-E114 PolarHBondContact O-N 3.08Å; V111-R115 WeakPolarHBondContact O-CB 3.41Å; V111-R115 PolarHBondContact O-N 3.04Å; V111-V119 HydrophobicContact CG1-CB 4.38Å; V111-V119 HydrophobicContact CG1-CG1 3.47Å; V111-V119 VanDerWaalsContact CG1-CG1 3.47Å; V111-V119 HydrophobicContact CG1-CG2 4.04Å; V111-I121 HydrophobicContact CB-CD1 4.31Å; V111-I121 HydrophobicContact CG1-CD1 3.66Å; V111-I121 HydrophobicContact CG1-CG1 3.95Å
112R97Very high96.2Very high89 Ų8955.3 Ų55.334%0.33629%0.293SS..Hα-helixtrans-66.4-34.7179.4-74.2173.3165.4172.8-5.2112.8I108 D109 G116 I121 L148I108-R112 WeakPolarHBondContact O-CG 3.4Å; I108-R112 PolarHBondContact O-N 2.94Å; D109-R112 PolarHBondContact O-N 2.84Å; R112-G116 WeakPolarHBondContact O-CA 3.41Å; R112-G116 PolarHBondContact O-N 3.03Å; R112-I121 HydrophobicContact CG-CD1 4.26Å; R112-L148 PolarHBondContact NH2-O 3.38Å
113T96.7Very high96.2Very high114 Ų11450 Ų5070%0.69927%0.269SS*.Hα-helixtrans-65.9-43.3177.7-59.80000111D109 D110 V111D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 3.48Å; D109-T113 PolarHBondContact O-OG1 3.03Å; D110-T113 PolarHBondContact O-N 3.22Å; V111-T113 VanDerWaalsContact C-N 3.32Å; V111-T113 PolarHBondContact O-N 3.3Å
114E96.6Very high96.3Very high60 Ų6047.4 Ų47.428%0.2826%0.256SS..Hα-helixtrans-82.6-32.1-177-67.3-62.7151.100113.6P80 I83 R84 D110 V111P80-E114 HydrophobicContact CB-CG 4.1Å; I83-E114 HydrophobicContact CB-CB 4.09Å; I83-E114 HydrophobicContact CB-CG 4.49Å; I83-E114 HydrophobicContact CG2-CB 3.62Å; I83-E114 HydrophobicContact CG2-CG 4.4Å; R84-E114 WeakPolarHBondContact CD-OE2 3.45Å; R84-E114 HydrophobicContact CG-CB 3.94Å; R84-E114 VanDerWaalsContact CG-OE2 3.32Å; R84-E114 WeakPolarHBondContact CG-OE2 3.38Å; R84-E114 IonicContact CZ-OE2 3.64Å; R84-E114 IonicContact NE-OE2 3.58Å; R84-E114 IonicContact NH1-OE2 2.71Å; R84-E114 PolarHBondContact NH1-OE2 3.41Å; D110-E114 WeakPolarHBondContact O-CG 3.28Å; D110-E114 PolarHBondContact O-N 3.43Å; D110-E114 VanDerWaalsContact O-N 3.1Å; V111-E114 PolarHBondContact O-N 3.08Å
115R94.9Very high96.3Very high91 Ų9147.4 Ų47.434%0.34326%0.256SS..Hα-helixtrans-116.2-11.8-172.9-96.9-62.1-139.7-169.5-2.3115.9I83 R84 D85 S86 V111 V119I83-R115 HydrophobicContact CG2-CB 4.38Å; I83-R115 HydrophobicContact CG2-CG 4.06Å; I83-R115 WeakPolarHBondContact O-CG 3.39Å; R84-R115 WeakPolarHBondContact O-CD 3.26Å; R84-R115 PolarHBondContact O-NE 3.36Å; R84-R115 PolarHBondContact O-NH1 2.84Å; R84-R115 VanDerWaalsContact O-NH1 3.14Å; R84-R115 PolarHBondContact O-NH2 2.83Å; D85-R115 PolarHBondContact O-NH2 2.96Å; S86-R115 VanDerWaalsContact O-CZ 3.26Å; S86-R115 PolarHBondContact O-NE 2.91Å; S86-R115 PolarHBondContact O-NH2 3.44Å; V111-R115 WeakPolarHBondContact O-CB 3.41Å; V111-R115 PolarHBondContact O-N 3.04Å; R115-V119 HydrophobicContact CB-CB 3.85Å; R115-V119 HydrophobicContact CB-CG1 3.75Å; R115-V119 HydrophobicContact CG-CB 4.25Å
116G92.7Very high96.3Very high33 Ų3345 Ų4534%0.3424%0.242SC..THydrogen-bonded Turntrans67.7-149.1-170.100000112.4R112 V119R112-G116 WeakPolarHBondContact O-CA 3.41Å; R112-G116 PolarHBondContact O-N 3.03Å; G116-V119 WeakPolarHBondContact O-CG1 3.49Å
117S89.1Confident96.4Very high119 Ų11942.6 Ų42.683%0.83223%0.231SC*.THydrogen-bonded Turntrans-91.5-6.5-175.2-580000114.5V119S117-V119 PolarHBondContact O-N 3.3Å
118D87.3Confident96.5Very high154 Ų15443.6 Ų43.682%0.82424%0.238SC*.SBendtrans-79.8-2.3-176.1-65.4-23.4000113.5
119V94.8Very high96.5Very high12 Ų1246.2 Ų46.27%0.07325%0.252CS..SBendtrans-92.7132.2179.160.50000110.8A89 V111 R115 G116 S117 I121A89-V119 HydrophobicContact CB-CG2 4.21Å; V111-V119 HydrophobicContact CG1-CB 4.38Å; V111-V119 HydrophobicContact CG1-CG1 3.47Å; V111-V119 VanDerWaalsContact CG1-CG1 3.47Å; V111-V119 HydrophobicContact CG1-CG2 4.04Å; R115-V119 HydrophobicContact CB-CB 3.85Å; R115-V119 HydrophobicContact CB-CG1 3.75Å; R115-V119 HydrophobicContact CG-CB 4.25Å; G116-V119 WeakPolarHBondContact O-CG1 3.49Å; S117-V119 PolarHBondContact O-N 3.3Å; V119-I121 HydrophobicContact CG1-CD1 4.22Å; V119-I121 HydrophobicContact CG1-CG1 4.07Å; V119-I121 PolarHBondContact O-N 2.84Å
120I97.1Very high96.5Very high30 Ų3045 Ų4515%0.15425%0.245CC..EExtended strand (participates in β ladder)trans-76.9122.7172.8-65.6161.6000108.5T87 V88 A89 M151 A173 L174T87-I120 PolarHBondContact O-N 3.11Å; T87-I120 VanDerWaalsContact O-N 3.09Å; V88-I120 CarbonylContact C-O 3.6Å; V88-I120 VanDerWaalsContact CA-O 3.25Å; V88-I120 WeakPolarHBondContact CA-O 3.15Å; V88-I120 HydrophobicContact CG1-CB 4.5Å; V88-I120 HydrophobicContact CG1-CG2 4.36Å; V88-I120 HydrophobicContact CG2-CB 4.12Å; V88-I120 HydrophobicContact CG2-CD1 4.28Å; V88-I120 HydrophobicContact CG2-CG2 4.48Å; A89-I120 PolarHBondContact N-O 2.9Å; I120-M151 HydrophobicContact CG2-CE 3.12Å; I120-A173 HydrophobicContact CD1-CB 4.02Å; I120-A173 WeakPolarHBondContact CD1-O 3.3Å; I120-A173 HydrophobicContact CG2-CB 4.17Å; I120-L174 HydrophobicContact CD1-CD2 4.15Å
121I98.4Very high96.5Very high13 Ų1345.1 Ų45.17%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-111.2127.6179.4-51.2-179.4000109.7A89 V91 I108 V111 R112 V119 V150 M151A89-I121 WeakPolarHBondContact O-CA 3.37Å; V91-I121 HydrophobicContact CG2-CG2 4.24Å; I108-I121 HydrophobicContact CG1-CG2 4.1Å; I108-I121 HydrophobicContact CG2-CD1 4.1Å; V111-I121 HydrophobicContact CB-CD1 4.31Å; V111-I121 HydrophobicContact CG1-CD1 3.66Å; V111-I121 HydrophobicContact CG1-CG1 3.95Å; R112-I121 HydrophobicContact CG-CD1 4.26Å; V119-I121 HydrophobicContact CG1-CD1 4.22Å; V119-I121 HydrophobicContact CG1-CG1 4.07Å; V119-I121 PolarHBondContact O-N 2.84Å; I121-V150 HydrophobicContact CB-CB 4.04Å; I121-V150 HydrophobicContact CB-CG1 3.63Å; I121-V150 HydrophobicContact CD1-CG1 4.24Å; I121-V150 HydrophobicContact CG1-CG1 4.45Å; I121-V150 HydrophobicContact CG2-CB 4.07Å; I121-V150 HydrophobicContact CG2-CG1 3.72Å; I121-M151 PolarHBondContact O-N 3.26Å
122M98.6Very high96.5Very high0 Ų051.5 Ų51.50%029%0.288CS..EExtended strand (participates in β ladder)trans-118.4113.1175.2177.566.774.600109.5A89 V90 V91 V124 M151 I153 L166 R169 V170A89-M122 PolarHBondContact O-N 3.32Å; V90-M122 CarbonylContact C-O 3.5Å; V90-M122 WeakPolarHBondContact CA-O 3.41Å; V91-M122 PolarHBondContact N-O 2.87Å; M122-V124 HydrophobicContact CG-CG2 3.74Å; M122-M151 HydrophobicContact CE-CB 3.53Å; M122-M151 HydrophobicContact CE-CE 3.77Å; M122-M151 HydrophobicContact CE-CG 4.22Å; M122-M151 HydrophobicContact CE-SD 3.59Å; M122-M151 VanDerWaalsContact CE-SD 3.59Å; M122-M151 HydrophobicContact SD-CB 3.52Å; M122-M151 VanDerWaalsContact SD-CB 3.52Å; M122-I153 HydrophobicContact CG-CG2 4.46Å; M122-I153 HydrophobicContact SD-CB 4.48Å; M122-I153 HydrophobicContact SD-CG2 3.87Å; M122-L166 HydrophobicContact CE-CD1 4.42Å; M122-L166 HydrophobicContact CG-CD1 3.48Å; M122-L166 VanDerWaalsContact CG-CD1 3.48Å; M122-L166 HydrophobicContact SD-CD1 4.24Å; M122-R169 HydrophobicContact CE-CB 3.85Å; M122-V170 HydrophobicContact CB-CG2 4.36Å; M122-V170 HydrophobicContact CE-CG2 4.13Å; M122-V170 HydrophobicContact CG-CG2 4.43Å
123L98.8Very high96.6Very high0 Ų053.3 Ų53.30%030%0.298CS..EExtended strand (participates in β ladder)trans-82.1127.7170.7-178.264.1000109.7V91 Y93 T104 K144 A145 V150 M151 F152 I153V91-L123 HydrophobicContact CG1-CD1 4.41Å; V91-L123 CarbonylContact O-C 3.53Å; V91-L123 WeakPolarHBondContact O-CA 3.25Å; Y93-L123 HydrophobicContact CD1-CD1 3.9Å; Y93-L123 HydrophobicContact CD1-CG 4.37Å; Y93-L123 HydrophobicContact CE1-CD1 4.13Å; Y93-L123 HydrophobicContact CE1-CD2 4.47Å; Y93-L123 HydrophobicContact CE1-CG 4.1Å; T104-L123 HydrophobicContact CG2-CD1 3.8Å; L123-K144 HydrophobicContact CD2-CG 4.49Å; L123-A145 HydrophobicContact CD2-CB 4.17Å; L123-V150 HydrophobicContact CB-CG2 4.05Å; L123-M151 PolarHBondContact N-O 2.96Å; L123-F152 HydrophobicContact CB-CD2 4.25Å; L123-F152 HydrophobicContact CD2-CD2 4.14Å; L123-F152 HydrophobicContact CG-CD2 4.09Å; L123-F152 WeakPolarHBondContact O-CA 3.47Å; L123-F152 WeakPolarHBondContact O-CD2 3.18Å; L123-I153 PolarHBondContact O-N 3.35Å; L123-I153 VanDerWaalsContact O-N 3.15Å
124V98.9Very high96.7Very high0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-124.8116-175.4-175.90000111.4L29 V90 V91 V92 Y93 M122 I153 T155 L166L29-V124 HydrophobicContact CD1-CG1 4.15Å; V90-V124 HydrophobicContact CG1-CG2 3.57Å; V91-V124 PolarHBondContact O-N 2.98Å; V92-V124 WeakPolarHBondContact CA-O 3.48Å; V92-V124 HydrophobicContact CG1-CB 4.47Å; V92-V124 HydrophobicContact CG2-CB 4.29Å; Y93-V124 VanDerWaalsContact CD1-O 3.25Å; Y93-V124 WeakPolarHBondContact CD1-O 3.31Å; Y93-V124 PolarHBondContact N-O 3.25Å; M122-V124 HydrophobicContact CG-CG2 3.74Å; V124-I153 VanDerWaalsContact CA-O 3.3Å; V124-I153 WeakPolarHBondContact CA-O 3.44Å; V124-I153 HydrophobicContact CG2-CG2 4.13Å; V124-T155 HydrophobicContact CG1-CG2 3.87Å; V124-T155 VanDerWaalsContact CG1-OG1 3.31Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.2Å; V124-L166 HydrophobicContact CG1-CD2 4.48Å; V124-L166 HydrophobicContact CG2-CD1 3.68Å; V124-L166 HydrophobicContact CG2-CD2 4.19Å
125G98.9Very high96.8Very high0 Ų053.8 Ų53.80%029%0.29CS..EExtended strand (participates in β ladder)trans-85.4105168.100000110.5I153 E154 T155G125-I153 PolarHBondContact N-O 3.1Å; G125-I153 VanDerWaalsContact N-O 3.09Å; G125-E154 CarbonylContact O-C 3.46Å; G125-E154 WeakPolarHBondContact O-CA 3.45Å; G125-E154 WeakPolarHBondContact O-CB 3.21Å; G125-T155 PolarHBondContact O-N 2.81Å
126N98.9Very high96.9Very high3 Ų349.5 Ų49.52%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-99.1165.4-176.1-168.835.9000112.6V24 L29 V92 Y93 I95 T155 A157V24-N126 PolarHBondContact O-ND2 3.11Å; L29-N126 HydrophobicContact CD1-CB 4.36Å; V92-N126 HydrophobicContact CG1-CB 3.79Å; Y93-N126 WeakPolarHBondContact O-CB 3.49Å; Y93-N126 PolarHBondContact O-N 2.86Å; I95-N126 WeakPolarHBondContact CG1-O 3.22Å; I95-N126 WeakPolarHBondContact CG2-O 2.83Å; I95-N126 PolarHBondContact N-O 2.88Å; N126-T155 CarbonylContact C-O 3.42Å; N126-T155 VanDerWaalsContact CA-O 3.28Å; N126-T155 WeakPolarHBondContact CA-O 3.4Å; N126-T155 PolarHBondContact OD1-O 3.28Å; N126-T155 PolarHBondContact OD1-OG1 2.8Å; N126-T155 VanDerWaalsContact OD1-OG1 3.12Å; N126-A157 PolarHBondContact OD1-N 3.41Å
127K98.5Very high97.2Very high46 Ų4649.6 Ų49.620%0.227%0.269CS..  trans7337179.7-46.1-167.8-165.4169.40114.4S23 D94 I95 D129 L130 T155S23-K127 WeakPolarHBondContact O-CE 3.42Å; S23-K127 PolarHBondContact O-NZ 3.32Å; D94-K127 HydrophobicContact CB-CD 4.34Å; D94-K127 WeakPolarHBondContact OD2-CD 3.42Å; D94-K127 WeakPolarHBondContact OD2-CE 3.49Å; D94-K127 IonicContact OD2-NZ 2.76Å; D94-K127 PolarHBondContact OD2-NZ 3.11Å; I95-K127 WeakPolarHBondContact CD1-O 3.44Å; K127-D129 WeakPolarHBondContact CA-OD1 3.37Å; K127-D129 PolarHBondContact O-N 3.27Å; K127-D129 VanDerWaalsContact O-N 3.08Å; K127-L130 HydrophobicContact CB-CD1 4.26Å; K127-L130 HydrophobicContact CD-CD1 4.23Å; K127-L130 PolarHBondContact O-N 2.89Å; K127-T155 PolarHBondContact N-O 3.47Å
128T98.7Very high97.7Very high24 Ų2447.1 Ų47.115%0.14725%0.246CC..G310 helixtrans-61.7-13.6174.558.30000114.7I95 L130 A131 E154 T155 S156I95-T128 HydrophobicContact CD1-CG2 4.33Å; T128-L130 PolarHBondContact O-N 3.34Å; T128-A131 PolarHBondContact O-N 3.25Å; T128-E154 HydrophobicContact CG2-CB 3.7Å; T128-E154 HydrophobicContact CG2-CG 4.45Å; T128-E154 WeakPolarHBondContact CG2-OE2 3.39Å; T128-T155 PolarHBondContact N-O 3.09Å; T128-T155 PolarHBondContact OG1-O 2.88Å; T128-S156 WeakPolarHBondContact OG1-CB 3.36Å
129D98.4Very high98.2Very high54 Ų5445.7 Ų45.729%0.28923%0.234SC..G310 helixtrans-65-13.7168.356.6-73.5000113.8K127 S156 K158 A159K127-D129 WeakPolarHBondContact CA-OD1 3.37Å; K127-D129 PolarHBondContact O-N 3.27Å; K127-D129 VanDerWaalsContact O-N 3.08Å; D129-S156 WeakPolarHBondContact CB-OG 3.37Å; D129-S156 VanDerWaalsContact CG-OG 3.27Å; D129-S156 WeakPolarHBondContact OD1-CB 3.41Å; D129-S156 PolarHBondContact OD1-OG 2.71Å; D129-K158 WeakPolarHBondContact OD2-CD 3.45Å; D129-A159 HydrophobicContact CB-CB 4.41Å
130L97.9Very high98.4Very high47 Ų4748.6 Ų48.625%0.24625%0.247CC..G310 helixtrans-107.537176.5-56.4178.3000111.7T96 K127 T128 D132 K133 R134T96-L130 HydrophobicContact CG2-CB 3.59Å; T96-L130 HydrophobicContact CG2-CD1 4.12Å; K127-L130 HydrophobicContact CB-CD1 4.26Å; K127-L130 HydrophobicContact CD-CD1 4.23Å; K127-L130 PolarHBondContact O-N 2.89Å; T128-L130 PolarHBondContact O-N 3.34Å; L130-D132 VanDerWaalsContact C-OD1 3.24Å; L130-D132 WeakPolarHBondContact CA-OD1 3.33Å; L130-D132 PolarHBondContact O-N 3.15Å; L130-K133 CarbonylContact O-C 3.56Å; L130-K133 WeakPolarHBondContact O-CA 3.16Å; L130-K133 PolarHBondContact O-N 2.96Å; L130-R134 PolarHBondContact O-N 2.88Å
131A97.1Very high98.4Very high59 Ų5947.2 Ų47.249%0.48824%0.24SC..G310 helixtrans-57.9-29.9-17600000113.7T128 K133 R134T128-A131 PolarHBondContact O-N 3.25Å; A131-K133 PolarHBondContact O-N 3.1Å; A131-R134 WeakPolarHBondContact O-CB 3.4Å; A131-R134 PolarHBondContact O-N 3.39Å; A131-R134 VanDerWaalsContact O-N 3.15Å
132D98Very high98.4Very high133 Ų13351.8 Ų51.871%0.71126%0.261SS*.G310 helixtrans-62.5-21.3172.756.2-51.5000113.5L130L130-D132 VanDerWaalsContact C-OD1 3.24Å; L130-D132 WeakPolarHBondContact CA-OD1 3.33Å; L130-D132 PolarHBondContact O-N 3.15Å
133K98.2Very high98.4Very high128 Ų12858.3 Ų58.356%0.55729%0.285SS*.G310 helixtrans-110.513.2177-61.4177.8-174.91780112.5T96 L130 A131 Q135T96-K133 WeakPolarHBondContact CA-O 3.49Å; T96-K133 WeakPolarHBondContact CB-O 3.27Å; T96-K133 HydrophobicContact CG2-CB 3.85Å; L130-K133 CarbonylContact O-C 3.56Å; L130-K133 WeakPolarHBondContact O-CA 3.16Å; L130-K133 PolarHBondContact O-N 2.96Å; A131-K133 PolarHBondContact O-N 3.1Å; K133-Q135 PolarHBondContact O-N 2.86Å
134R98.6Very high98.4Very high71 Ų7159.1 Ų59.127%0.26829%0.289SS..  trans-58.2130.2-178.9179.2178.4-73.3-909110.2I95 L130 A131 V136 E154I95-R134 HydrophobicContact CD1-CB 4.25Å; I95-R134 HydrophobicContact CD1-CG 4.31Å; L130-R134 PolarHBondContact O-N 2.88Å; A131-R134 WeakPolarHBondContact O-CB 3.4Å; A131-R134 PolarHBondContact O-N 3.39Å; A131-R134 VanDerWaalsContact O-N 3.15Å; R134-V136 WeakPolarHBondContact CD-O 3.28Å; R134-V136 WeakPolarHBondContact CG-O 3.44Å; R134-V136 PolarHBondContact NH1-O 3.36Å; R134-E154 IonicContact CZ-OE1 3.9Å; R134-E154 IonicContact CZ-OE2 3.41Å; R134-E154 IonicContact NH1-OE1 3.67Å; R134-E154 PolarHBondContact NH1-OE1 2.84Å; R134-E154 IonicContact NH1-OE2 3.69Å; R134-E154 IonicContact NH2-OE1 2.9Å; R134-E154 PolarHBondContact NH2-OE1 3.08Å; R134-E154 IonicContact NH2-OE2 2.67Å; R134-E154 PolarHBondContact NH2-OE2 2.98Å
135Q98.6Very high98.4Very high113 Ų11359.2 Ų59.253%0.52829%0.29SS..  trans-115.5-14.7173.4-58.5-174.9-10.400112.7I95 T96 V98 K133I95-Q135 PolarHBondContact O-N 3.34Å; T96-Q135 WeakPolarHBondContact O-CG 3.5Å; T96-Q135 PolarHBondContact O-NE2 3.1Å; T96-Q135 PolarHBondContact O-OE1 3.41Å; T96-Q135 VanDerWaalsContact O-OE1 3.09Å; V98-Q135 HydrophobicContact CG2-CB 3.43Å; V98-Q135 VanDerWaalsContact CG2-CB 3.43Å; V98-Q135 HydrophobicContact CG2-CG 4.47Å; V98-Q135 WeakPolarHBondContact CG2-O 3.41Å; K133-Q135 PolarHBondContact O-N 2.86Å
136V98.5Very high98.4Very high1 Ų167.8 Ų67.81%0.00633%0.327CS..SBendtrans-120.6121.9177.4-177.20000108.7Y93 I95 V98 F101 R134 E140Y93-V136 HydrophobicContact CE2-CB 4.15Å; Y93-V136 HydrophobicContact CE2-CG1 3.91Å; I95-V136 PolarHBondContact O-N 2.77Å; I95-V136 VanDerWaalsContact O-N 3.1Å; V98-V136 HydrophobicContact CB-CG2 4.49Å; V98-V136 HydrophobicContact CG2-CG2 3.97Å; F101-V136 HydrophobicContact CB-CG1 4.38Å; F101-V136 HydrophobicContact CB-CG2 3.72Å; F101-V136 HydrophobicContact CD1-CG1 3.91Å; F101-V136 HydrophobicContact CD1-CG2 4.14Å; F101-V136 HydrophobicContact CD2-CG1 3.86Å; F101-V136 HydrophobicContact CE1-CG1 4.07Å; F101-V136 HydrophobicContact CE2-CG1 4.02Å; F101-V136 HydrophobicContact CG-CG1 3.78Å; F101-V136 HydrophobicContact CG-CG2 3.96Å; F101-V136 HydrophobicContact CZ-CG1 4.11Å; R134-V136 WeakPolarHBondContact CD-O 3.28Å; R134-V136 WeakPolarHBondContact CG-O 3.44Å; R134-V136 PolarHBondContact NH1-O 3.36Å; V136-E140 WeakPolarHBondContact CA-OE2 3.45Å; V136-E140 HydrophobicContact CG1-CB 4.03Å
137S98.3Very high98.3Very high35 Ų3573.6 Ų73.625%0.24535%0.354CS..  trans-73.1162.1179.5100.10000111.8E139 E140 G141S137-E139 VanDerWaalsContact C-N 3.27Å; S137-E139 WeakPolarHBondContact CB-OE2 3.49Å; S137-E139 PolarHBondContact OG-N 3.5Å; S137-E139 PolarHBondContact OG-OE2 3.35Å; S137-E140 PolarHBondContact N-OE2 2.78Å; S137-E140 PolarHBondContact O-N 2.87Å; S137-E140 PolarHBondContact OG-N 3.01Å; S137-E140 VanDerWaalsContact OG-N 3.1Å; S137-G141 PolarHBondContact O-N 3.16Å
138I98.3Very high98.3Very high67 Ų6772.7 Ų72.734%0.34435%0.351SS..Hα-helixtrans-64.2-41.8176.1-60.6173.8000109E140 G141 E142 F152I138-E140 VanDerWaalsContact C-N 3.31Å; I138-E140 PolarHBondContact O-N 2.55Å; I138-G141 WeakPolarHBondContact O-CA 3.31Å; I138-G141 PolarHBondContact O-N 3.1Å; I138-G141 VanDerWaalsContact O-N 3.1Å; I138-E142 HydrophobicContact CG2-CG 4.27Å; I138-E142 WeakPolarHBondContact O-CG 3.28Å; I138-E142 PolarHBondContact O-N 3.37Å; I138-F152 HydrophobicContact CG2-CE1 4.28Å
139E98.5Very high98.2Very high123 Ų12378.4 Ų78.458%0.57538%0.381SS*.Hα-helixtrans-62.3-36.8179.4-55.674.7-163.600111.7S137 R143S137-E139 VanDerWaalsContact C-N 3.27Å; S137-E139 WeakPolarHBondContact CB-OE2 3.49Å; S137-E139 PolarHBondContact OG-N 3.5Å; S137-E139 PolarHBondContact OG-OE2 3.35Å; E139-R143 WeakPolarHBondContact O-CB 3.25Å; E139-R143 PolarHBondContact O-N 2.8Å
140E98.5Very high98.1Very high74 Ų7476.9 Ų76.935%0.34637%0.373SS..Hα-helixtrans-64.5-42.9173.2-70.5179126.100111.7F101 V136 S137 I138 K144F101-E140 HydrophobicContact CE1-CB 4.47Å; F101-E140 HydrophobicContact CZ-CB 4.27Å; V136-E140 WeakPolarHBondContact CA-OE2 3.45Å; V136-E140 HydrophobicContact CG1-CB 4.03Å; S137-E140 PolarHBondContact N-OE2 2.78Å; S137-E140 PolarHBondContact O-N 2.87Å; S137-E140 PolarHBondContact OG-N 3.01Å; S137-E140 VanDerWaalsContact OG-N 3.1Å; I138-E140 VanDerWaalsContact C-N 3.31Å; I138-E140 PolarHBondContact O-N 2.55Å; E140-K144 WeakPolarHBondContact O-CB 3.34Å; E140-K144 PolarHBondContact O-N 3.35Å
141G98.5Very high98.2Very high0 Ų077.5 Ų77.50%038%0.376CS..Hα-helixtrans-61.3-49.1174.800000112.6S137 I138 K144 A145S137-G141 PolarHBondContact O-N 3.16Å; I138-G141 WeakPolarHBondContact O-CA 3.31Å; I138-G141 PolarHBondContact O-N 3.1Å; I138-G141 VanDerWaalsContact O-N 3.1Å; G141-K144 PolarHBondContact O-N 3.06Å; G141-A145 WeakPolarHBondContact O-CB 3.49Å; G141-A145 PolarHBondContact O-N 2.8Å
142E98.5Very high98.2Very high109 Ų10976 Ų7651%0.50936%0.358SS..Hα-helixtrans-63.3-45177.6-72.4-177.4160.800112.1I138 A145 K146 F152I138-E142 HydrophobicContact CG2-CG 4.27Å; I138-E142 WeakPolarHBondContact O-CG 3.28Å; I138-E142 PolarHBondContact O-N 3.37Å; E142-A145 PolarHBondContact O-N 2.86Å; E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 3.12Å; E142-F152 HydrophobicContact CB-CD1 4.41Å; E142-F152 HydrophobicContact CG-CD1 3.5Å; E142-F152 HydrophobicContact CG-CE1 3.55Å
143R98.6Very high98.3Very high137 Ų13770 Ų7052%0.51733%0.326SS..Hα-helixtrans-59.7-48.7177.1-179.2178.666.998-6.2110.6E139 A145 K146 E147E139-R143 WeakPolarHBondContact O-CB 3.25Å; E139-R143 PolarHBondContact O-N 2.8Å; R143-A145 VanDerWaalsContact C-N 3.33Å; R143-A145 PolarHBondContact O-N 3.05Å; R143-K146 PolarHBondContact O-N 3.27Å; R143-E147 HydrophobicContact CG-CG 4.36Å; R143-E147 VanDerWaalsContact CG-OE1 3.26Å; R143-E147 WeakPolarHBondContact CG-OE1 3.11Å; R143-E147 IonicContact CZ-OE1 2.81Å; R143-E147 IonicContact NE-OE1 2.71Å; R143-E147 IonicContact NH1-OE1 3.76Å; R143-E147 PolarHBondContact NH1-OE1 2.88Å; R143-E147 IonicContact NH1-OE2 3.52Å; R143-E147 WeakPolarHBondContact O-CB 3.16Å; R143-E147 VanDerWaalsContact O-CG 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.41Å; R143-E147 PolarHBondContact O-N 3.16Å
144K98.6Very high98.3Very high18 Ų1864.7 Ų64.78%0.07830%0.303CS..Hα-helixtrans-62.3-41.4178.3-174.3170.2-170171.40111.8F101 Q102 T104 T105 L123 E140 G141 K146 E147 L148F101-K144 HydrophobicContact CD2-CD 4.29Å; F101-K144 HydrophobicContact CE1-CD 4.06Å; F101-K144 HydrophobicContact CE2-CB 4.14Å; F101-K144 HydrophobicContact CE2-CD 3.53Å; F101-K144 HydrophobicContact CE2-CG 4.42Å; F101-K144 HydrophobicContact CZ-CB 3.79Å; F101-K144 HydrophobicContact CZ-CD 3.4Å; F101-K144 HydrophobicContact CZ-CG 4.22Å; F101-K144 PolarHBondContact O-NZ 3.12Å; Q102-K144 PolarHBondContact O-NZ 2.71Å; T104-K144 WeakPolarHBondContact OG1-CE 3.47Å; T104-K144 PolarHBondContact OG1-NZ 3.29Å; T105-K144 WeakPolarHBondContact OG1-CE 3.46Å; T105-K144 PolarHBondContact OG1-NZ 2.95Å; L123-K144 HydrophobicContact CD2-CG 4.49Å; E140-K144 WeakPolarHBondContact O-CB 3.34Å; E140-K144 PolarHBondContact O-N 3.35Å; G141-K144 PolarHBondContact O-N 3.06Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.28Å; K144-E147 PolarHBondContact O-N 2.99Å; K144-L148 HydrophobicContact CG-CD1 3.85Å; K144-L148 HydrophobicContact CG-CG 4.42Å; K144-L148 WeakPolarHBondContact O-CB 3.33Å; K144-L148 WeakPolarHBondContact O-CG 3.05Å; K144-L148 PolarHBondContact O-N 2.81Å
145A98.6Very high98.3Very high2 Ų261.3 Ų61.32%0.01729%0.29CS..Hα-helixtrans-63.6-40.6176.900000112.3L123 G141 E142 R143 L148 N149 V150 F152L123-A145 HydrophobicContact CD2-CB 4.17Å; G141-A145 WeakPolarHBondContact O-CB 3.49Å; G141-A145 PolarHBondContact O-N 2.8Å; E142-A145 PolarHBondContact O-N 2.86Å; R143-A145 VanDerWaalsContact C-N 3.33Å; R143-A145 PolarHBondContact O-N 3.05Å; A145-L148 CarbonylContact O-C 3.6Å; A145-L148 PolarHBondContact O-N 3.13Å; A145-N149 WeakPolarHBondContact O-CA 3.18Å; A145-N149 PolarHBondContact O-N 3.28Å; A145-V150 HydrophobicContact CB-CG2 4.01Å; A145-V150 PolarHBondContact O-N 3.09Å; A145-F152 HydrophobicContact CB-CB 3.58Å; A145-F152 HydrophobicContact CB-CD2 4.39Å; A145-F152 HydrophobicContact CB-CG 4.18Å
146K98.3Very high98.3Very high180 Ų18055.9 Ų55.978%0.78327%0.265SS*.Hα-helixtrans-65.8-47.1175-175.3178.8179.1-179.80112E142 R143 K144 L148 N149E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 3.12Å; R143-K146 PolarHBondContact O-N 3.27Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.28Å; K146-L148 VanDerWaalsContact C-N 3.27Å; K146-L148 PolarHBondContact O-N 3.46Å; K146-N149 PolarHBondContact O-N 3.29Å; K146-N149 VanDerWaalsContact O-N 3.07Å
147E97.9Very high98.3Very high125 Ų12556 Ų5658%0.58427%0.266SS*.Hα-helixtrans-58.3-40.8176.4-75.6171-174.700111.4R143 K144 N149R143-E147 HydrophobicContact CG-CG 4.36Å; R143-E147 VanDerWaalsContact CG-OE1 3.26Å; R143-E147 WeakPolarHBondContact CG-OE1 3.11Å; R143-E147 IonicContact CZ-OE1 2.81Å; R143-E147 IonicContact NE-OE1 2.71Å; R143-E147 IonicContact NH1-OE1 3.76Å; R143-E147 PolarHBondContact NH1-OE1 2.88Å; R143-E147 IonicContact NH1-OE2 3.52Å; R143-E147 WeakPolarHBondContact O-CB 3.16Å; R143-E147 VanDerWaalsContact O-CG 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.41Å; R143-E147 PolarHBondContact O-N 3.16Å; K144-E147 PolarHBondContact O-N 2.99Å; E147-N149 VanDerWaalsContact C-N 3.34Å
148L96.8Very high98.3Very high27 Ų2759.1 Ų59.114%0.14128%0.275CS..THydrogen-bonded Turntrans-86.6-0177.8-62.8176.5000113.1I108 R112 K144 A145 K146 V150I108-L148 HydrophobicContact CD1-CD1 3.53Å; R112-L148 PolarHBondContact NH2-O 3.38Å; K144-L148 HydrophobicContact CG-CD1 3.85Å; K144-L148 HydrophobicContact CG-CG 4.42Å; K144-L148 WeakPolarHBondContact O-CB 3.33Å; K144-L148 WeakPolarHBondContact O-CG 3.05Å; K144-L148 PolarHBondContact O-N 2.81Å; A145-L148 CarbonylContact O-C 3.6Å; A145-L148 PolarHBondContact O-N 3.13Å; K146-L148 VanDerWaalsContact C-N 3.27Å; K146-L148 PolarHBondContact O-N 3.46Å; L148-V150 HydrophobicContact CB-CG1 4.3Å; L148-V150 HydrophobicContact CB-CG2 4.25Å; L148-V150 WeakPolarHBondContact O-CG1 3.21Å; L148-V150 PolarHBondContact O-N 3.5Å
149N96.7Very high98.3Very high144 Ų14459.4 Ų59.477%0.7729%0.288SS*.THydrogen-bonded Turntrans48.952.9-175.8-169.441000113.4A145 K146 E147A145-N149 WeakPolarHBondContact O-CA 3.18Å; A145-N149 PolarHBondContact O-N 3.28Å; K146-N149 PolarHBondContact O-N 3.29Å; K146-N149 VanDerWaalsContact O-N 3.07Å; E147-N149 VanDerWaalsContact C-N 3.34Å
150V98Very high98.2Very high21 Ų2154.9 Ų54.913%0.12727%0.274CS..  trans-127.1160.6177.3-57.90000110.5I108 I121 L123 A145 L148I108-V150 HydrophobicContact CD1-CG2 4.38Å; I121-V150 HydrophobicContact CB-CB 4.04Å; I121-V150 HydrophobicContact CB-CG1 3.63Å; I121-V150 HydrophobicContact CD1-CG1 4.24Å; I121-V150 HydrophobicContact CG1-CG1 4.45Å; I121-V150 HydrophobicContact CG2-CB 4.07Å; I121-V150 HydrophobicContact CG2-CG1 3.72Å; L123-V150 HydrophobicContact CB-CG2 4.05Å; A145-V150 HydrophobicContact CB-CG2 4.01Å; A145-V150 PolarHBondContact O-N 3.09Å; L148-V150 HydrophobicContact CB-CG1 4.3Å; L148-V150 HydrophobicContact CB-CG2 4.25Å; L148-V150 WeakPolarHBondContact O-CG1 3.21Å; L148-V150 PolarHBondContact O-N 3.5Å
151M98.3Very high98.2Very high60 Ų6057.3 Ų57.330%0.29628%0.281SS..EExtended strand (participates in β ladder)trans-71.2156.2173.8-69.7-170.4-81.300111.4I120 I121 M122 L123 A173I120-M151 HydrophobicContact CG2-CE 3.12Å; I121-M151 PolarHBondContact O-N 3.26Å; M122-M151 HydrophobicContact CE-CB 3.53Å; M122-M151 HydrophobicContact CE-CE 3.77Å; M122-M151 HydrophobicContact CE-CG 4.22Å; M122-M151 HydrophobicContact CE-SD 3.59Å; M122-M151 VanDerWaalsContact CE-SD 3.59Å; M122-M151 HydrophobicContact SD-CB 3.52Å; M122-M151 VanDerWaalsContact SD-CB 3.52Å; L123-M151 PolarHBondContact N-O 2.96Å; M151-A173 HydrophobicContact CE-CB 3.72Å; M151-A173 HydrophobicContact SD-CB 4.21Å
152F98.7Very high98.2Very high29 Ų2959.5 Ų59.513%0.12729%0.292CS..EExtended strand (participates in β ladder)trans-135.8144.2178.5-178.8-113.2000113.1Y93 L123 I138 E142 A145 E154 R169Y93-F152 HydrophobicContact CE1-CE2 4.2Å; L123-F152 HydrophobicContact CB-CD2 4.25Å; L123-F152 HydrophobicContact CD2-CD2 4.14Å; L123-F152 HydrophobicContact CG-CD2 4.09Å; L123-F152 WeakPolarHBondContact O-CA 3.47Å; L123-F152 WeakPolarHBondContact O-CD2 3.18Å; I138-F152 HydrophobicContact CG2-CE1 4.28Å; E142-F152 HydrophobicContact CB-CD1 4.41Å; E142-F152 HydrophobicContact CG-CD1 3.5Å; E142-F152 HydrophobicContact CG-CE1 3.55Å; A145-F152 HydrophobicContact CB-CB 3.58Å; A145-F152 HydrophobicContact CB-CD2 4.39Å; A145-F152 HydrophobicContact CB-CG 4.18Å; F152-E154 HydrophobicContact CE1-CG 4.11Å; F152-E154 HydrophobicContact CE2-CG 4.42Å; F152-E154 HydrophobicContact CZ-CG 3.6Å; F152-R169 PolarHBondContact O-NH1 2.82Å
153I98.7Very high98.2Very high5 Ų554.5 Ų54.53%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-157.2146.7166-169.8165.6000110.5M122 L123 V124 G125 T155 N162 Q165 L166M122-I153 HydrophobicContact CG-CG2 4.46Å; M122-I153 HydrophobicContact SD-CB 4.48Å; M122-I153 HydrophobicContact SD-CG2 3.87Å; L123-I153 PolarHBondContact O-N 3.35Å; L123-I153 VanDerWaalsContact O-N 3.15Å; V124-I153 VanDerWaalsContact CA-O 3.3Å; V124-I153 WeakPolarHBondContact CA-O 3.44Å; V124-I153 HydrophobicContact CG2-CG2 4.13Å; G125-I153 PolarHBondContact N-O 3.1Å; G125-I153 VanDerWaalsContact N-O 3.09Å; I153-T155 HydrophobicContact CG2-CG2 4.33Å; I153-N162 HydrophobicContact CD1-CB 3.89Å; I153-N162 HydrophobicContact CG1-CB 4.18Å; I153-Q165 HydrophobicContact CD1-CB 4.02Å; I153-Q165 HydrophobicContact CD1-CG 3.87Å; I153-L166 HydrophobicContact CG2-CB 4.19Å; I153-L166 HydrophobicContact CG2-CD1 3.74Å
154E98.8Very high98.1Very high17 Ų1754.3 Ų54.38%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-98.1144.4165.5-65.3-158.9149.100112.2G125 T128 R134 F152 N162G125-E154 CarbonylContact O-C 3.46Å; G125-E154 WeakPolarHBondContact O-CA 3.45Å; G125-E154 WeakPolarHBondContact O-CB 3.21Å; T128-E154 HydrophobicContact CG2-CB 3.7Å; T128-E154 HydrophobicContact CG2-CG 4.45Å; T128-E154 WeakPolarHBondContact CG2-OE2 3.39Å; R134-E154 IonicContact CZ-OE1 3.9Å; R134-E154 IonicContact CZ-OE2 3.41Å; R134-E154 IonicContact NH1-OE1 3.67Å; R134-E154 PolarHBondContact NH1-OE1 2.84Å; R134-E154 IonicContact NH1-OE2 3.69Å; R134-E154 IonicContact NH2-OE1 2.9Å; R134-E154 PolarHBondContact NH2-OE1 3.08Å; R134-E154 IonicContact NH2-OE2 2.67Å; R134-E154 PolarHBondContact NH2-OE2 2.98Å; F152-E154 HydrophobicContact CE1-CG 4.11Å; F152-E154 HydrophobicContact CE2-CG 4.42Å; F152-E154 HydrophobicContact CZ-CG 3.6Å; E154-N162 WeakPolarHBondContact O-CB 3.25Å; E154-N162 PolarHBondContact O-ND2 2.77Å
155T98.9Very high98Very high0 Ų056.8 Ų56.80%028%0.284CS..EExtended strand (participates in β ladder)trans-136.5158.8-176.160.30000112.2L29 V124 G125 N126 K127 T128 I153 Y161 N162 L166L29-T155 HydrophobicContact CD2-CG2 4.42Å; L29-T155 WeakPolarHBondContact CD2-OG1 3.19Å; V124-T155 HydrophobicContact CG1-CG2 3.87Å; V124-T155 VanDerWaalsContact CG1-OG1 3.31Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.2Å; G125-T155 PolarHBondContact O-N 2.81Å; N126-T155 CarbonylContact C-O 3.42Å; N126-T155 VanDerWaalsContact CA-O 3.28Å; N126-T155 WeakPolarHBondContact CA-O 3.4Å; N126-T155 PolarHBondContact OD1-O 3.28Å; N126-T155 PolarHBondContact OD1-OG1 2.8Å; N126-T155 VanDerWaalsContact OD1-OG1 3.12Å; K127-T155 PolarHBondContact N-O 3.47Å; T128-T155 PolarHBondContact N-O 3.09Å; T128-T155 PolarHBondContact OG1-O 2.88Å; I153-T155 HydrophobicContact CG2-CG2 4.33Å; T155-Y161 WeakPolarHBondContact CA-O 3.3Å; T155-N162 HydrophobicContact CG2-CB 4Å; T155-L166 HydrophobicContact CG2-CB 4.22Å; T155-L166 HydrophobicContact CG2-CD2 4.33Å
156S98.7Very high98Very high0 Ų056.8 Ų56.80%028%0.284CS..  trans-125.7112.7157.5169.90000109.2T128 D129 K158 A159 G160 Y161T128-S156 WeakPolarHBondContact OG1-CB 3.36Å; D129-S156 WeakPolarHBondContact CB-OG 3.37Å; D129-S156 VanDerWaalsContact CG-OG 3.27Å; D129-S156 WeakPolarHBondContact OD1-CB 3.41Å; D129-S156 PolarHBondContact OD1-OG 2.71Å; S156-K158 PolarHBondContact O-N 2.79Å; S156-K158 PolarHBondContact OG-N 3.25Å; S156-A159 WeakPolarHBondContact OG-CB 3.38Å; S156-A159 PolarHBondContact OG-N 3.34Å; S156-G160 CarbonylContact O-C 3.38Å; S156-G160 VanDerWaalsContact O-CA 3.25Å; S156-G160 WeakPolarHBondContact O-CA 3.37Å; S156-G160 PolarHBondContact O-N 2.71Å; S156-Y161 PolarHBondContact N-O 3.4Å; S156-Y161 PolarHBondContact O-N 3.29Å; S156-Y161 VanDerWaalsContact O-N 3.13Å
157A98.5Very high97.8Very high3 Ų348.3 Ų48.33%0.02525%0.247CC..THydrogen-bonded Turntrans-60.4-36.4170.300000111.9L29 R32 F38 N126L29-A157 HydrophobicContact CD2-CB 3.91Å; L29-A157 HydrophobicContact CG-CB 4.13Å; R32-A157 PolarHBondContact NE-O 2.63Å; F38-A157 HydrophobicContact CD2-CB 4.23Å; F38-A157 HydrophobicContact CE2-CB 4.3Å; N126-A157 PolarHBondContact OD1-N 3.41Å
158K98Very high97.6Very high100 Ų10049.7 Ų49.744%0.43525%0.247SC..THydrogen-bonded Turntrans-67-54.6-179.3-172.9-179-174.5-179.10111.5R32 F38 D129 S156 G160R32-K158 PolarHBondContact NH2-O 3.4Å; F38-K158 HydrophobicContact CD1-CB 4.26Å; F38-K158 HydrophobicContact CD1-CG 3.89Å; F38-K158 HydrophobicContact CD2-CB 4.12Å; F38-K158 HydrophobicContact CE1-CB 4.08Å; F38-K158 HydrophobicContact CE1-CD 4.22Å; F38-K158 HydrophobicContact CE1-CG 3.77Å; F38-K158 HydrophobicContact CE2-CB 3.93Å; F38-K158 HydrophobicContact CG-CB 4.28Å; F38-K158 HydrophobicContact CG-CG 4.33Å; F38-K158 HydrophobicContact CZ-CB 3.92Å; F38-K158 HydrophobicContact CZ-CG 4.11Å; D129-K158 WeakPolarHBondContact OD2-CD 3.45Å; S156-K158 PolarHBondContact O-N 2.79Å; S156-K158 PolarHBondContact OG-N 3.25Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 3.42Å
159A97.5Very high97.5Very high74 Ų7453.7 Ų53.761%0.61226%0.26SS*.THydrogen-bonded Turntrans-79.9-10.1-179.700000113.6D129 S156 Y161D129-A159 HydrophobicContact CB-CB 4.41Å; S156-A159 WeakPolarHBondContact OG-CB 3.38Å; S156-A159 PolarHBondContact OG-N 3.34Å; A159-Y161 PolarHBondContact O-N 3.01Å
160G97.8Very high97.4Very high27 Ų2746.9 Ų46.928%0.27822%0.224SC..  trans75.11.4-173.500000114.2S156 K158 N162 V163S156-G160 CarbonylContact O-C 3.38Å; S156-G160 VanDerWaalsContact O-CA 3.25Å; S156-G160 WeakPolarHBondContact O-CA 3.37Å; S156-G160 PolarHBondContact O-N 2.71Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 3.42Å; G160-N162 PolarHBondContact O-N 2.85Å; G160-V163 PolarHBondContact O-N 2.91Å
161Y98.5Very high97.1Very high125 Ų12545.9 Ų45.949%0.4922%0.218SC..THydrogen-bonded Turntrans-59.9128.4-178.2178-104.2000111.2T155 S156 A159 V163T155-Y161 WeakPolarHBondContact CA-O 3.3Å; S156-Y161 PolarHBondContact N-O 3.4Å; S156-Y161 PolarHBondContact O-N 3.29Å; S156-Y161 VanDerWaalsContact O-N 3.13Å; A159-Y161 PolarHBondContact O-N 3.01Å; Y161-V163 PolarHBondContact O-N 2.9Å
162N98.4Very high96.7Very high46 Ų4646.2 Ų46.225%0.24623%0.23CC..THydrogen-bonded Turntrans56.24.5179.1-79.9-11.5000117.2I153 E154 T155 G160 Q165 L166I153-N162 HydrophobicContact CD1-CB 3.89Å; I153-N162 HydrophobicContact CG1-CB 4.18Å; E154-N162 WeakPolarHBondContact O-CB 3.25Å; E154-N162 PolarHBondContact O-ND2 2.77Å; T155-N162 HydrophobicContact CG2-CB 4Å; G160-N162 PolarHBondContact O-N 2.85Å; N162-Q165 HydrophobicContact CB-CB 4.44Å; N162-Q165 CarbonylContact O-C 3.59Å; N162-Q165 PolarHBondContact O-N 2.83Å; N162-Q165 VanDerWaalsContact O-N 3.13Å; N162-L166 PolarHBondContact O-N 2.82Å
163V98.4Very high96.3Very high4 Ų446.9 Ų46.92%0.02424%0.241CC..Hα-helixtrans-63.5-48.6179.7-179.20000110.9L29 R32 F33 G160 Y161 Q165 L166 F167L29-V163 HydrophobicContact CD2-CG2 3.77Å; R32-V163 HydrophobicContact CB-CG1 4.31Å; R32-V163 HydrophobicContact CG-CB 4.03Å; R32-V163 HydrophobicContact CG-CG1 3.92Å; R32-V163 HydrophobicContact CG-CG2 3.82Å; F33-V163 HydrophobicContact CB-CG1 3.92Å; G160-V163 PolarHBondContact O-N 2.91Å; Y161-V163 PolarHBondContact O-N 2.9Å; V163-Q165 PolarHBondContact O-N 3.46Å; V163-L166 WeakPolarHBondContact O-CB 3.41Å; V163-L166 PolarHBondContact O-N 2.67Å; V163-F167 HydrophobicContact CG1-CD2 4.36Å; V163-F167 HydrophobicContact CG1-CE2 4.11Å; V163-F167 VanDerWaalsContact O-CD2 3.28Å; V163-F167 WeakPolarHBondContact O-CD2 3.46Å; V163-F167 PolarHBondContact O-N 2.68Å
164K95.6Very high95.9Very high133 Ų13346.8 Ų46.858%0.57824%0.24SC*.Hα-helixtrans-60.6-36.1174.4-68.8178.7-1781710111.8F167 R168K164-F167 PolarHBondContact O-N 2.84Å; K164-R168 WeakPolarHBondContact O-CG 3.43Å; K164-R168 PolarHBondContact O-N 3.03Å
165Q96.9Very high94.9Very high71 Ų7149.2 Ų49.233%0.33226%0.257SS..Hα-helixtrans-70-37.1-179.8-169.961.111.800112.5I153 N162 V163 F167 R168 R169I153-Q165 HydrophobicContact CD1-CB 4.02Å; I153-Q165 HydrophobicContact CD1-CG 3.87Å; N162-Q165 HydrophobicContact CB-CB 4.44Å; N162-Q165 CarbonylContact O-C 3.59Å; N162-Q165 PolarHBondContact O-N 2.83Å; N162-Q165 VanDerWaalsContact O-N 3.13Å; V163-Q165 PolarHBondContact O-N 3.46Å; Q165-F167 PolarHBondContact O-N 3.23Å; Q165-R168 PolarHBondContact O-N 3.21Å; Q165-R169 HydrophobicContact CG-CG 4.48Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.94Å
166L98Very high93.8Very high1 Ų151.1 Ų51.11%0.00528%0.278CS..Hα-helixtrans-53.5-54.2171.8164.562.9000110.4V90 M122 V124 I153 T155 N162 V163 R168 R169 V170V90-L166 HydrophobicContact CG1-CD1 4.47Å; M122-L166 HydrophobicContact CE-CD1 4.42Å; M122-L166 HydrophobicContact CG-CD1 3.48Å; M122-L166 VanDerWaalsContact CG-CD1 3.48Å; M122-L166 HydrophobicContact SD-CD1 4.24Å; V124-L166 HydrophobicContact CG1-CD2 4.48Å; V124-L166 HydrophobicContact CG2-CD1 3.68Å; V124-L166 HydrophobicContact CG2-CD2 4.19Å; I153-L166 HydrophobicContact CG2-CB 4.19Å; I153-L166 HydrophobicContact CG2-CD1 3.74Å; T155-L166 HydrophobicContact CG2-CB 4.22Å; T155-L166 HydrophobicContact CG2-CD2 4.33Å; N162-L166 PolarHBondContact O-N 2.82Å; V163-L166 WeakPolarHBondContact O-CB 3.41Å; V163-L166 PolarHBondContact O-N 2.67Å; L166-R168 PolarHBondContact O-N 3.43Å; L166-R169 PolarHBondContact O-N 3.21Å; L166-V170 HydrophobicContact CD1-CG2 4.24Å; L166-V170 WeakPolarHBondContact O-CG2 3.17Å; L166-V170 PolarHBondContact O-N 3.13Å
167F95.6Very high92.1Very high2 Ų253.2 Ų53.21%0.00929%0.288CS..Hα-helixtrans-68.5-32.5-179.1-71.6-86.9000113L16 F18 F33 L64 L66 V163 K164 Q165 A171L16-F167 HydrophobicContact CD2-CD1 4.12Å; L16-F167 HydrophobicContact CD2-CE1 4.02Å; F18-F167 HydrophobicContact CE1-CZ 4.29Å; F18-F167 HydrophobicContact CE2-CE1 4.42Å; F18-F167 HydrophobicContact CE2-CZ 4.46Å; F18-F167 AromaticContact CZ-CE1 3.81Å; F18-F167 HydrophobicContact CZ-CE1 3.81Å; F18-F167 AromaticContact CZ-CZ 3.56Å; F18-F167 HydrophobicContact CZ-CZ 3.56Å; F33-F167 HydrophobicContact CB-CD2 3.79Å; F33-F167 HydrophobicContact CB-CE2 3.29Å; F33-F167 HydrophobicContact CB-CZ 3.75Å; F33-F167 AromaticContact CD1-CD1 3.89Å; F33-F167 HydrophobicContact CD1-CD1 3.89Å; F33-F167 AromaticContact CD1-CD2 3.96Å; F33-F167 HydrophobicContact CD1-CD2 3.96Å; F33-F167 AromaticContact CD1-CE1 3.64Å; F33-F167 HydrophobicContact CD1-CE1 3.64Å; F33-F167 AromaticContact CD1-CE2 3.78Å; F33-F167 HydrophobicContact CD1-CE2 3.78Å; F33-F167 HydrophobicContact CD1-CG 4.03Å; F33-F167 AromaticContact CD1-CZ 3.58Å; F33-F167 HydrophobicContact CD1-CZ 3.58Å; F33-F167 HydrophobicContact CD2-CB 4.05Å; F33-F167 HydrophobicContact CD2-CD1 4.3Å; F33-F167 AromaticContact CD2-CD2 3.27Å; F33-F167 HydrophobicContact CD2-CD2 3.27Å; F33-F167 AromaticContact CD2-CE2 3.74Å; F33-F167 HydrophobicContact CD2-CE2 3.74Å; F33-F167 AromaticContact CD2-CG 3.61Å; F33-F167 HydrophobicContact CD2-CG 3.61Å; F33-F167 HydrophobicContact CD2-CZ 4.37Å; F33-F167 AromaticContact CE1-CD1 3.71Å; F33-F167 HydrophobicContact CE1-CD1 3.71Å; F33-F167 HydrophobicContact CE1-CD2 4.36Å; F33-F167 AromaticContact CE1-CE1 3.85Å; F33-F167 HydrophobicContact CE1-CE1 3.85Å; F33-F167 AromaticContact CE1-CG 3.98Å; F33-F167 HydrophobicContact CE1-CG 3.98Å; F33-F167 HydrophobicContact CE1-CZ 4.25Å; F33-F167 HydrophobicContact CE2-CB 3.61Å; F33-F167 HydrophobicContact CE2-CD1 4.15Å; F33-F167 AromaticContact CE2-CD2 3.76Å; F33-F167 HydrophobicContact CE2-CD2 3.76Å; F33-F167 HydrophobicContact CE2-CE2 4.5Å; F33-F167 AromaticContact CE2-CG 3.56Å; F33-F167 HydrophobicContact CE2-CG 3.56Å; F33-F167 HydrophobicContact CG-CD1 4.17Å; F33-F167 AromaticContact CG-CD2 3.39Å; F33-F167 HydrophobicContact CG-CD2 3.39Å; F33-F167 HydrophobicContact CG-CE1 4.06Å; F33-F167 AromaticContact CG-CE2 3.31Å; F33-F167 HydrophobicContact CG-CE2 3.31Å; F33-F167 AromaticContact CG-CG 3.84Å; F33-F167 HydrophobicContact CG-CG 3.84Å; F33-F167 AromaticContact CG-CZ 3.64Å; F33-F167 HydrophobicContact CG-CZ 3.64Å; F33-F167 HydrophobicContact CZ-CB 3.93Å; F33-F167 AromaticContact CZ-CD1 3.85Å; F33-F167 HydrophobicContact CZ-CD1 3.85Å; F33-F167 HydrophobicContact CZ-CD2 4.27Å; F33-F167 HydrophobicContact CZ-CE1 4.43Å; F33-F167 AromaticContact CZ-CG 3.75Å; F33-F167 HydrophobicContact CZ-CG 3.75Å; L64-F167 HydrophobicContact CD1-CD1 3.98Å; L66-F167 HydrophobicContact CD1-CE1 4.28Å; L66-F167 HydrophobicContact CD2-CE1 3.89Å; V163-F167 HydrophobicContact CG1-CD2 4.36Å; V163-F167 HydrophobicContact CG1-CE2 4.11Å; V163-F167 VanDerWaalsContact O-CD2 3.28Å; V163-F167 WeakPolarHBondContact O-CD2 3.46Å; V163-F167 PolarHBondContact O-N 2.68Å; K164-F167 PolarHBondContact O-N 2.84Å; Q165-F167 PolarHBondContact O-N 3.23Å; F167-A171 VanDerWaalsContact O-CB 3.28Å; F167-A171 WeakPolarHBondContact O-CB 3.47Å; F167-A171 PolarHBondContact O-N 2.94Å
168R93.3Very high90.2Very high154 Ų15461.8 Ų61.858%0.58133%0.327SS*.Hα-helixtrans-65.5-42.9172.6-76175.7177.8173.8-4.1112.7K164 Q165 L166 A171 A172K164-R168 WeakPolarHBondContact O-CG 3.43Å; K164-R168 PolarHBondContact O-N 3.03Å; Q165-R168 PolarHBondContact O-N 3.21Å; L166-R168 PolarHBondContact O-N 3.43Å; R168-A171 WeakPolarHBondContact O-CB 3.43Å; R168-A171 PolarHBondContact O-N 3.37Å; R168-A172 WeakPolarHBondContact O-CB 3.47Å; R168-A172 PolarHBondContact O-N 3.42Å
169R95Very high87.9Confident111 Ų11160 Ų6042%0.41933%0.327SS..Hα-helixtrans-64.9-43.2175.7-74-173.8178.3-1731.1111.6M122 F152 Q165 L166 A171 A172 A173M122-R169 HydrophobicContact CE-CB 3.85Å; F152-R169 PolarHBondContact O-NH1 2.82Å; Q165-R169 HydrophobicContact CG-CG 4.48Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.94Å; L166-R169 PolarHBondContact O-N 3.21Å; R169-A171 VanDerWaalsContact C-N 3.3Å; R169-A171 PolarHBondContact O-N 2.85Å; R169-A172 PolarHBondContact O-N 3.27Å; R169-A173 PolarHBondContact O-N 3.35Å
170V94.1Very high85.6Confident1 Ų160.4 Ų60.41%0.00632%0.322CS..Hα-helixtrans-58.9-46.2172.9167.90000110.2L16 V88 M122 L166 A173 L174L16-V170 HydrophobicContact CD2-CG1 3.9Å; L16-V170 HydrophobicContact CG-CG1 4.25Å; V88-V170 HydrophobicContact CB-CG1 4.29Å; V88-V170 HydrophobicContact CG1-CG1 3.77Å; V88-V170 HydrophobicContact CG1-CG2 4.25Å; V88-V170 HydrophobicContact CG2-CG1 3.78Å; M122-V170 HydrophobicContact CB-CG2 4.36Å; M122-V170 HydrophobicContact CE-CG2 4.13Å; M122-V170 HydrophobicContact CG-CG2 4.43Å; L166-V170 HydrophobicContact CD1-CG2 4.24Å; L166-V170 WeakPolarHBondContact O-CG2 3.17Å; L166-V170 PolarHBondContact O-N 3.13Å; V170-A173 PolarHBondContact O-N 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.34Å
171A90.8Very high83.2Confident1 Ų167.4 Ų67.41%0.00835%0.348CS..Hα-helixtrans-55.5-57.6176.500000109.9M55 L57 F167 R168 R169 A173 L174 M177M55-A171 HydrophobicContact CE-CB 3.48Å; M55-A171 VanDerWaalsContact CE-CB 3.48Å; M55-A171 HydrophobicContact SD-CB 4.37Å; L57-A171 HydrophobicContact CD1-CB 4.13Å; L57-A171 HydrophobicContact CD2-CB 3.94Å; F167-A171 VanDerWaalsContact O-CB 3.28Å; F167-A171 WeakPolarHBondContact O-CB 3.47Å; F167-A171 PolarHBondContact O-N 2.94Å; R168-A171 WeakPolarHBondContact O-CB 3.43Å; R168-A171 PolarHBondContact O-N 3.37Å; R169-A171 VanDerWaalsContact C-N 3.3Å; R169-A171 PolarHBondContact O-N 2.85Å; A171-A173 PolarHBondContact O-N 2.93Å; A171-L174 VanDerWaalsContact O-CB 3.27Å; A171-L174 WeakPolarHBondContact O-CB 3.48Å; A171-L174 WeakPolarHBondContact O-CG 3.44Å; A171-L174 PolarHBondContact O-N 3.08Å; A171-M177 HydrophobicContact CB-CE 3.84Å; A171-M177 WeakPolarHBondContact O-CE 3.48Å
172A90.1Very high80.8Confident67 Ų6766.8 Ų66.855%0.55435%0.353SS*.Hα-helixtrans-47.9-32.8-17900000114.1R168 R169 M177R168-A172 WeakPolarHBondContact O-CB 3.47Å; R168-A172 PolarHBondContact O-N 3.42Å; R169-A172 PolarHBondContact O-N 3.27Å; A172-M177 WeakPolarHBondContact CA-SD 3.42Å
173A91.4Very high78.3Confident42 Ų4272.7 Ų72.735%0.34737%0.372SS..THydrogen-bonded Turntrans-82.9-11.5179.500000114.5I120 M151 R169 V170 A171I120-A173 HydrophobicContact CD1-CB 4.02Å; I120-A173 WeakPolarHBondContact CD1-O 3.3Å; I120-A173 HydrophobicContact CG2-CB 4.17Å; M151-A173 HydrophobicContact CE-CB 3.72Å; M151-A173 HydrophobicContact SD-CB 4.21Å; R169-A173 PolarHBondContact O-N 3.35Å; V170-A173 PolarHBondContact O-N 3.31Å; A171-A173 PolarHBondContact O-N 2.93Å
174L89.5Confident76Confident3 Ų376.4 Ų76.42%0.01640%0.398CS..SBendtrans-69.8141.6-174.8-68.6170.7000112.1F14 L64 T87 V88 I120 V170 A171 M177F14-L174 HydrophobicContact CB-CD1 4.05Å; F14-L174 HydrophobicContact CB-CD2 4.16Å; F14-L174 HydrophobicContact CD1-CB 4.41Å; F14-L174 HydrophobicContact CD1-CD1 4.09Å; F14-L174 HydrophobicContact CD1-CD2 3.62Å; F14-L174 HydrophobicContact CD1-CG 4.25Å; F14-L174 HydrophobicContact CD2-CD1 3.65Å; F14-L174 HydrophobicContact CE1-CB 4.08Å; F14-L174 HydrophobicContact CE1-CD1 4.42Å; F14-L174 HydrophobicContact CE1-CD2 4.1Å; F14-L174 HydrophobicContact CE1-CG 4.42Å; F14-L174 HydrophobicContact CE2-CD1 4.02Å; F14-L174 HydrophobicContact CG-CD1 3.66Å; F14-L174 HydrophobicContact CG-CD2 3.91Å; F14-L174 HydrophobicContact CG-CG 4.31Å; F14-L174 HydrophobicContact CZ-CB 4.13Å; F14-L174 HydrophobicContact CZ-CD1 4.37Å; L64-L174 HydrophobicContact CD2-CD1 4.49Å; T87-L174 HydrophobicContact CG2-CD2 4.14Å; V88-L174 HydrophobicContact CG2-CD2 3.61Å; I120-L174 HydrophobicContact CD1-CD2 4.15Å; V170-L174 WeakPolarHBondContact O-CG 3.34Å; A171-L174 VanDerWaalsContact O-CB 3.27Å; A171-L174 WeakPolarHBondContact O-CB 3.48Å; A171-L174 WeakPolarHBondContact O-CG 3.44Å; A171-L174 PolarHBondContact O-N 3.08Å; L174-M177 HydrophobicContact CB-CE 4.38Å; L174-M177 VanDerWaalsContact O-CG 3.32Å; L174-M177 WeakPolarHBondContact O-CG 3.16Å; L174-M177 PolarHBondContact O-N 3.34Å
175P78.2Confident73.7Confident68 Ų6880 Ų8044%0.44241%0.408SS..THydrogen-bonded Turntrans-53.1139.7-179.2-27.633.5000114.7R12R12-P175 PolarHBondContact NH1-O 2.92Å
176G75.9Confident71.5Confident41 Ų4185 Ų8542%0.42343%0.432SS..THydrogen-bonded Turntrans77.221-178.300000114.3R60R60-G176 VanDerWaalsContact NH1-C 3.28Å; R60-G176 PolarHBondContact NH1-O 3.29Å
177M63.8Low68.9Low43 Ų4390.7 Ų90.721%0.21246%0.462CS..  trans-83.7-12.2165-74.9-147.2179.900113.6L57 R60 A171 A172 L174 S179L57-M177 HydrophobicContact CD1-CE 3.19Å; R60-M177 VanDerWaalsContact CZ-CG 3.47Å; A171-M177 HydrophobicContact CB-CE 3.84Å; A171-M177 WeakPolarHBondContact O-CE 3.48Å; A172-M177 WeakPolarHBondContact CA-SD 3.42Å; L174-M177 HydrophobicContact CB-CE 4.38Å; L174-M177 VanDerWaalsContact O-CG 3.32Å; L174-M177 WeakPolarHBondContact O-CG 3.16Å; L174-M177 PolarHBondContact O-N 3.34Å; M177-S179 PolarHBondContact O-N 3.24Å; M177-S179 VanDerWaalsContact O-N 3.13Å
178E57.6Low66.4Low184 Ų18498.7 Ų98.786%0.8650%0.501SS*.SBendtrans-76.87.4-176.2-65-174.3148.800114.5
179S48.9Very low64.2Low61 Ų6198.2 Ų98.243%0.42751%0.509SS..  trans-127.761.7-170.869.10000114.2M177M177-S179 PolarHBondContact O-N 3.24Å; M177-S179 VanDerWaalsContact O-N 3.13Å
180T49.4Very low62Low84 Ų8499.7 Ų99.752%0.51553%0.525SS..SBendtrans-136.9-20.2152.7-15.60000114D59D59-T180 HydrophobicContact CB-CG2 4.46Å; D59-T180 WeakPolarHBondContact CB-OG1 3.48Å
181Q47.3Very low59.6Low174 Ų174106.6 Ų106.681%0.81356%0.56SS**SBendtrans-77.3-39.8171.2-70.8-1711.500112.1S184Q181-S184 PolarHBondContact O-OG 3.01Å
182D48.3Very low57.2Low111 Ų111115.1 Ų115.159%0.59460%0.597SS**THydrogen-bonded Turntrans-85-22.5-175.9-73.4-37.1000115.3S184 R185D182-S184 PolarHBondContact O-N 3.27Å; D182-S184 VanDerWaalsContact O-N 3.17Å; D182-R185 PolarHBondContact O-N 3.15Å
183R46.3Very low54.9Low170 Ų170119.4 Ų119.464%0.64261%0.61SS**Hα-helixtrans-69.1-13.9176.4-64.6-169.779.3-177.14.3113.3R185R183-R185 VanDerWaalsContact C-N 3.27Å; R183-R185 PolarHBondContact O-N 2.82Å
184S49.4Very low52.5Low83 Ų83126.3 Ų126.358%0.5864%0.635SS**Hα-helixtrans-75.5-13.2175.269.80000113.8Q181 D182Q181-S184 PolarHBondContact O-OG 3.01Å; D182-S184 PolarHBondContact O-N 3.27Å; D182-S184 VanDerWaalsContact O-N 3.17Å
185R47.6Very low50.1Low208 Ų208135.2 Ų135.279%0.78567%0.674SS**Hα-helixtrans-95.4-22.4-177.5-89.2-177.2169.4153.5-2.3115.5D182 R183D182-R185 PolarHBondContact O-N 3.15Å; R183-R185 VanDerWaalsContact C-N 3.27Å; R183-R185 PolarHBondContact O-N 2.82Å
186E50.4Low48.4Very low177 Ų177137.9 Ų137.983%0.82769%0.691SS**Hα-helixtrans-97.7-12.5-175-68.5-168.4149.600114.8
187D44.9Very low46.8Very low119 Ų119144.9 Ų144.964%0.63671%0.712SS**  trans-99.216.6-177.6-72.5-28000114.6I189D187-I189 VanDerWaalsContact C-N 3.29Å; D187-I189 PolarHBondContact O-N 2.9Å
188M42.3Very low45.7Very low170 Ų170151.9 Ų151.984%0.83775%0.745SS**  trans-77.382.2166.9-74.7-167-165.800110.4
189I47.4Very low45Very low145 Ų145151.6 Ų151.674%0.74474%0.744SS**  trans-81.6116164.2-63.6171.6000108.1D187 I191D187-I189 VanDerWaalsContact C-N 3.29Å; D187-I189 PolarHBondContact O-N 2.9Å; I189-I191 PolarHBondContact O-N 2.91Å
190D48.4Very low44.9Very low142 Ų142154.8 Ų154.876%0.75976%0.763SS**  trans-56.8114.5175.8-98.8-27.4000112.1K192D190-K192 PolarHBondContact O-N 2.84Å
191I43.4Very low44.8Very low146 Ų146157.4 Ų157.475%0.74978%0.778SS**  trans-93.892.7168-56.1176.6000108.2I189 L193I189-I191 PolarHBondContact O-N 2.91Å; I191-L193 HydrophobicContact CG2-CD2 4.46Å; I191-L193 HydrophobicContact CG2-CG 4.37Å; I191-L193 PolarHBondContact O-N 3.33Å
192K40.3Very low44.7Very low179 Ų179154.5 Ų154.578%0.77878%0.777SS**  trans-80.3105.7166.1-73.2-176.3-179.6176.80109.1D190 E194D190-K192 PolarHBondContact O-N 2.84Å; K192-E194 PolarHBondContact O-N 2.57Å
193L42.6Very low44.6Very low157 Ų157158.1 Ų158.182%0.82279%0.791SS**  trans-72.8102172.2-70.9162.5000109.5I191I191-L193 HydrophobicContact CG2-CD2 4.46Å; I191-L193 HydrophobicContact CG2-CG 4.37Å; I191-L193 PolarHBondContact O-N 3.33Å
194E40.8Very low44.5Very low187 Ų187153.7 Ų153.787%0.87480%0.798SS**PPolyproline II helixtrans-73.4123.8167.7-72.6-174.2160.500109.8K192K192-E194 PolarHBondContact O-N 2.57Å
195K39.8Very low44.1Very low191 Ų191153.6 Ų153.683%0.8381%0.81SS**PPolyproline II helixtrans-69.4134.4179.4-73.3-178.8176.4-179.40110.2Q197K195-Q197 PolarHBondContact O-N 3.49Å
196P41.6Very low44Very low123 Ų123150.1 Ų150.180%0.79982%0.816SS**PPolyproline II helixtrans-61.6130.8175.1-1829.9000111.2E198P196-E198 PolarHBondContact O-N 3.19Å
197Q42.3Very low43.7Very low188 Ų188147.2 Ų147.288%0.87982%0.815SS**PPolyproline II helixtrans-68119.4172.8-71.7175.8-3000109.7K195 Q199K195-Q197 PolarHBondContact O-N 3.49Å; Q197-Q199 PolarHBondContact O-N 3.36Å
198E40.9Very low44.5Very low190 Ų190151.1 Ų151.189%0.88885%0.849SS**PPolyproline II helixtrans-64.4123.3174.6-71.6174.5163.700110.2P196P196-E198 PolarHBondContact O-N 3.19Å
199Q42.3Very low44.6Very low179 Ų179150.2 Ų150.284%0.83685%0.85SS**PPolyproline II helixtrans-73.9134.4175.1-71.5176.7-15.200110.1Q197Q197-Q199 PolarHBondContact O-N 3.36Å
200P46.3Very low44.5Very low128 Ų128150.4 Ų150.483%0.83186%0.856SS**PPolyproline II helixtrans-73131.6-178.427.3-31.7000111.8S202P200-S202 PolarHBondContact O-N 2.89Å
201V47.5Very low44.3Very low138 Ų138150.9 Ų150.984%0.83686%0.861SS**PPolyproline II helixtrans-69.5117.2176.6-176.10000109.2E203V201-E203 PolarHBondContact O-N 3.26Å
202S46.3Very low44.3Very low114 Ų114151.2 Ų151.280%0.79787%0.868SS**  trans-81.5105.3173.557.60000110.3P200 G204P200-S202 PolarHBondContact O-N 2.89Å; S202-G204 PolarHBondContact O-N 3.38Å
203E46Very low44.6Very low187 Ų187149.4 Ų149.487%0.87487%0.873SS**  trans-73.8105.9168.1-72-175153.400109.8V201 G205V201-E203 PolarHBondContact O-N 3.26Å; E203-G205 PolarHBondContact O-N 3.29Å
204G44.5Very low44.7Very low77 Ų77148.9 Ų148.979%0.79488%0.877SS**  trans-75.8105.8171.100000110.7S202S202-G204 PolarHBondContact O-N 3.38Å
205G40.6Very low45Very low81 Ų81146.2 Ų146.284%0.83588%0.877SS**  trans-70.7124.716900000111.3E203E203-G205 PolarHBondContact O-N 3.29Å
206C45Very low45.4Very low134 Ų134142.8 Ų142.891%0.90588%0.88SS**  trans-91.3117175.6-145.60000108.5
207S44.9Very low45.7Very low117 Ų117144.4 Ų144.482%0.81889%0.887SS**  trans-125.4113.6172.1176.40000107.9
208C61.6Low46Very low200 Ų200140.5 Ų140.5100%1.35189%0.888SS**  trans-130.90156.4-71.30000106.8

Retrieved 208 of 208 residues in 539.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).